----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:27:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.993775230094736 0.000000000000000 0.000000000000000 b 0.000000000000000 5.058307500000001 0.000000000000000 c -0.902047776417997 0.000000000000000 5.134432293782127 Atomic positions (fractional): *1 N 0.94049331557370 0.74539347491208 0.97786658540411 14.007 2 N 0.05950668442630 0.24539347491208 0.52213341459589 14.007 3 N 0.05950668442630 0.25460652508792 0.02213341459589 14.007 4 N 0.94049331557370 0.75460652508792 0.47786658540411 14.007 *5 O 0.56218997916456 0.32492870269439 0.34808351102982 15.999 6 O 0.43781002083545 0.82492870269439 0.15191648897018 15.999 7 O 0.43781002083545 0.67507129730561 0.65191648897018 15.999 8 O 0.56218997916456 0.17507129730561 0.84808351102982 15.999 *9 Nb 0.79432191472646 0.45130089865103 0.71896134649677 92.906 10 Nb 0.20567808527354 0.95130089865103 0.78103865350323 92.906 11 Nb 0.20567808527354 0.54869910134897 0.28103865350323 92.906 12 Nb 0.79432191472646 0.04869910134897 0.21896134649677 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.993775230094736 0.000000000000000 0.000000000000000 b 0.000000000000000 5.058307500000001 0.000000000000000 c -0.902047776417997 0.000000000000000 5.134432293782127 Atomic positions (fractional): *1 N 0.94049331557370 0.74539347491208 0.97786658540411 14.007 > 1 2 N 0.05950668442630 0.24539347491208 0.52213341459589 14.007 > 2 3 N 0.05950668442630 0.25460652508792 0.02213341459589 14.007 > 3 4 N 0.94049331557370 0.75460652508792 0.47786658540411 14.007 > 4 *5 O 0.56218997916456 0.32492870269439 0.34808351102982 15.999 > 5 6 O 0.43781002083545 0.82492870269439 0.15191648897018 15.999 > 6 7 O 0.43781002083545 0.67507129730561 0.65191648897018 15.999 > 7 8 O 0.56218997916456 0.17507129730561 0.84808351102982 15.999 > 8 *9 Nb 0.79432191472646 0.45130089865103 0.71896134649677 92.906 > 9 10 Nb 0.20567808527354 0.95130089865103 0.78103865350323 92.906 > 10 11 Nb 0.20567808527354 0.54869910134897 0.28103865350323 92.906 > 11 12 Nb 0.79432191472646 0.04869910134897 0.21896134649677 92.906 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.981325690284207 0.000000000000000 0.000000000000000 b 0.000000000000000 10.116615000000001 0.000000000000000 c -1.804095552835994 0.000000000000000 10.268864587564254 Atomic positions (fractional): *1 N 0.31349777185790 0.37269673745604 0.48893329270206 14.007 > 1 2 N 0.64683110519123 0.37269673745604 0.48893329270206 14.007 > 1 3 N 0.98016443852457 0.37269673745604 0.48893329270206 14.007 > 1 4 N 0.31349777185790 0.87269673745604 0.48893329270206 14.007 > 1 5 N 0.64683110519123 0.87269673745604 0.48893329270206 14.007 > 1 6 N 0.98016443852457 0.87269673745604 0.48893329270206 14.007 > 1 7 N 0.31349777185790 0.37269673745604 0.98893329270206 14.007 > 1 8 N 0.64683110519123 0.37269673745604 0.98893329270206 14.007 > 1 9 N 0.98016443852457 0.37269673745604 0.98893329270206 14.007 > 1 10 N 0.31349777185790 0.87269673745604 0.98893329270206 14.007 > 1 11 N 0.64683110519123 0.87269673745604 0.98893329270206 14.007 > 1 12 N 0.98016443852457 0.87269673745604 0.98893329270206 14.007 > 1 13 N 0.01983556147543 0.12269673745604 0.26106670729794 14.007 > 2 14 N 0.35316889480877 0.12269673745604 0.26106670729794 14.007 > 2 15 N 0.68650222814210 0.12269673745604 0.26106670729794 14.007 > 2 16 N 0.01983556147543 0.62269673745604 0.26106670729794 14.007 > 2 17 N 0.35316889480877 0.62269673745604 0.26106670729794 14.007 > 2 18 N 0.68650222814210 0.62269673745604 0.26106670729794 14.007 > 2 19 N 0.01983556147543 0.12269673745604 0.76106670729794 14.007 > 2 20 N 0.35316889480877 0.12269673745604 0.76106670729794 14.007 > 2 21 N 0.68650222814210 0.12269673745604 0.76106670729794 14.007 > 2 22 N 0.01983556147543 0.62269673745604 0.76106670729794 14.007 > 2 23 N 0.35316889480877 0.62269673745604 0.76106670729794 14.007 > 2 24 N 0.68650222814210 0.62269673745604 0.76106670729794 14.007 > 2 25 N 0.01983556147543 0.12730326254396 0.01106670729794 14.007 > 3 26 N 0.35316889480877 0.12730326254396 0.01106670729794 14.007 > 3 27 N 0.68650222814210 0.12730326254396 0.01106670729794 14.007 > 3 28 N 0.01983556147543 0.62730326254396 0.01106670729794 14.007 > 3 29 N 0.35316889480877 0.62730326254396 0.01106670729794 14.007 > 3 30 N 0.68650222814210 0.62730326254396 0.01106670729794 14.007 > 3 31 N 0.01983556147543 0.12730326254396 0.51106670729794 14.007 > 3 32 N 0.35316889480877 0.12730326254396 0.51106670729794 14.007 > 3 33 N 0.68650222814210 0.12730326254396 0.51106670729794 14.007 > 3 34 N 0.01983556147543 0.62730326254396 0.51106670729794 14.007 > 3 35 N 0.35316889480877 0.62730326254396 0.51106670729794 14.007 > 3 36 N 0.68650222814210 0.62730326254396 0.51106670729794 14.007 > 3 37 N 0.31349777185790 0.37730326254396 0.23893329270206 14.007 > 4 38 N 0.64683110519123 0.37730326254396 0.23893329270206 14.007 > 4 39 N 0.98016443852457 0.37730326254396 0.23893329270206 14.007 > 4 40 N 0.31349777185790 0.87730326254396 0.23893329270206 14.007 > 4 41 N 0.64683110519123 0.87730326254396 0.23893329270206 14.007 > 4 42 N 0.98016443852457 0.87730326254396 0.23893329270206 14.007 > 4 43 N 0.31349777185790 0.37730326254396 0.73893329270206 14.007 > 4 44 N 0.64683110519123 0.37730326254396 0.73893329270206 14.007 > 4 45 N 0.98016443852457 0.37730326254396 0.73893329270206 14.007 > 4 46 N 0.31349777185790 0.87730326254396 0.73893329270206 14.007 > 4 47 N 0.64683110519123 0.87730326254396 0.73893329270206 14.007 > 4 48 N 0.98016443852457 0.87730326254396 0.73893329270206 14.007 > 4 *49 O 0.18739665972152 0.16246435134720 0.17404175551491 15.999 > 5 50 O 0.52072999305485 0.16246435134720 0.17404175551491 15.999 > 5 51 O 0.85406332638818 0.16246435134720 0.17404175551491 15.999 > 5 52 O 0.18739665972152 0.66246435134720 0.17404175551491 15.999 > 5 53 O 0.52072999305485 0.66246435134720 0.17404175551491 15.999 > 5 54 O 0.85406332638818 0.66246435134720 0.17404175551491 15.999 > 5 55 O 0.18739665972152 0.16246435134720 0.67404175551491 15.999 > 5 56 O 0.52072999305485 0.16246435134720 0.67404175551491 15.999 > 5 57 O 0.85406332638818 0.16246435134720 0.67404175551491 15.999 > 5 58 O 0.18739665972152 0.66246435134720 0.67404175551491 15.999 > 5 59 O 0.52072999305485 0.66246435134720 0.67404175551491 15.999 > 5 60 O 0.85406332638818 0.66246435134720 0.67404175551491 15.999 > 5 61 O 0.14593667361182 0.41246435134720 0.07595824448509 15.999 > 6 62 O 0.47927000694515 0.41246435134720 0.07595824448509 15.999 > 6 63 O 0.81260334027848 0.41246435134720 0.07595824448509 15.999 > 6 64 O 0.14593667361182 0.91246435134720 0.07595824448509 15.999 > 6 65 O 0.47927000694515 0.91246435134720 0.07595824448509 15.999 > 6 66 O 0.81260334027848 0.91246435134720 0.07595824448509 15.999 > 6 67 O 0.14593667361182 0.41246435134720 0.57595824448509 15.999 > 6 68 O 0.47927000694515 0.41246435134720 0.57595824448509 15.999 > 6 69 O 0.81260334027848 0.41246435134720 0.57595824448509 15.999 > 6 70 O 0.14593667361182 0.91246435134720 0.57595824448509 15.999 > 6 71 O 0.47927000694515 0.91246435134720 0.57595824448509 15.999 > 6 72 O 0.81260334027848 0.91246435134720 0.57595824448509 15.999 > 6 73 O 0.14593667361182 0.33753564865280 0.32595824448509 15.999 > 7 74 O 0.47927000694515 0.33753564865280 0.32595824448509 15.999 > 7 75 O 0.81260334027848 0.33753564865280 0.32595824448509 15.999 > 7 76 O 0.14593667361182 0.83753564865280 0.32595824448509 15.999 > 7 77 O 0.47927000694515 0.83753564865280 0.32595824448509 15.999 > 7 78 O 0.81260334027848 0.83753564865280 0.32595824448509 15.999 > 7 79 O 0.14593667361182 0.33753564865280 0.82595824448509 15.999 > 7 80 O 0.47927000694515 0.33753564865280 0.82595824448509 15.999 > 7 81 O 0.81260334027848 0.33753564865280 0.82595824448509 15.999 > 7 82 O 0.14593667361182 0.83753564865280 0.82595824448509 15.999 > 7 83 O 0.47927000694515 0.83753564865280 0.82595824448509 15.999 > 7 84 O 0.81260334027848 0.83753564865280 0.82595824448509 15.999 > 7 85 O 0.18739665972152 0.08753564865280 0.42404175551491 15.999 > 8 86 O 0.52072999305485 0.08753564865280 0.42404175551491 15.999 > 8 87 O 0.85406332638818 0.08753564865280 0.42404175551491 15.999 > 8 88 O 0.18739665972152 0.58753564865280 0.42404175551491 15.999 > 8 89 O 0.52072999305485 0.58753564865280 0.42404175551491 15.999 > 8 90 O 0.85406332638818 0.58753564865280 0.42404175551491 15.999 > 8 91 O 0.18739665972152 0.08753564865280 0.92404175551491 15.999 > 8 92 O 0.52072999305485 0.08753564865280 0.92404175551491 15.999 > 8 93 O 0.85406332638818 0.08753564865280 0.92404175551491 15.999 > 8 94 O 0.18739665972152 0.58753564865280 0.92404175551491 15.999 > 8 95 O 0.52072999305485 0.58753564865280 0.92404175551491 15.999 > 8 96 O 0.85406332638818 0.58753564865280 0.92404175551491 15.999 > 8 *97 Nb 0.26477397157549 0.22565044932552 0.35948067324839 92.906 > 9 98 Nb 0.59810730490882 0.22565044932552 0.35948067324839 92.906 > 9 99 Nb 0.93144063824215 0.22565044932552 0.35948067324839 92.906 > 9 100 Nb 0.26477397157549 0.72565044932552 0.35948067324839 92.906 > 9 101 Nb 0.59810730490882 0.72565044932552 0.35948067324839 92.906 > 9 102 Nb 0.93144063824215 0.72565044932552 0.35948067324839 92.906 > 9 103 Nb 0.26477397157549 0.22565044932552 0.85948067324839 92.906 > 9 104 Nb 0.59810730490882 0.22565044932552 0.85948067324839 92.906 > 9 105 Nb 0.93144063824215 0.22565044932552 0.85948067324839 92.906 > 9 106 Nb 0.26477397157549 0.72565044932552 0.85948067324839 92.906 > 9 107 Nb 0.59810730490882 0.72565044932552 0.85948067324839 92.906 > 9 108 Nb 0.93144063824215 0.72565044932552 0.85948067324839 92.906 > 9 109 Nb 0.06855936175785 0.47565044932552 0.39051932675161 92.906 > 10 110 Nb 0.40189269509118 0.47565044932552 0.39051932675161 92.906 > 10 111 Nb 0.73522602842451 0.47565044932552 0.39051932675161 92.906 > 10 112 Nb 0.06855936175785 0.97565044932552 0.39051932675161 92.906 > 10 113 Nb 0.40189269509118 0.97565044932552 0.39051932675161 92.906 > 10 114 Nb 0.73522602842451 0.97565044932552 0.39051932675161 92.906 > 10 115 Nb 0.06855936175785 0.47565044932552 0.89051932675161 92.906 > 10 116 Nb 0.40189269509118 0.47565044932552 0.89051932675161 92.906 > 10 117 Nb 0.73522602842451 0.47565044932552 0.89051932675161 92.906 > 10 118 Nb 0.06855936175785 0.97565044932552 0.89051932675161 92.906 > 10 119 Nb 0.40189269509118 0.97565044932552 0.89051932675161 92.906 > 10 120 Nb 0.73522602842451 0.97565044932552 0.89051932675161 92.906 > 10 121 Nb 0.06855936175785 0.27434955067448 0.14051932675161 92.906 > 11 122 Nb 0.40189269509118 0.27434955067448 0.14051932675161 92.906 > 11 123 Nb 0.73522602842451 0.27434955067448 0.14051932675161 92.906 > 11 124 Nb 0.06855936175785 0.77434955067448 0.14051932675161 92.906 > 11 125 Nb 0.40189269509118 0.77434955067448 0.14051932675161 92.906 > 11 126 Nb 0.73522602842451 0.77434955067448 0.14051932675161 92.906 > 11 127 Nb 0.06855936175785 0.27434955067448 0.64051932675161 92.906 > 11 128 Nb 0.40189269509118 0.27434955067448 0.64051932675161 92.906 > 11 129 Nb 0.73522602842451 0.27434955067448 0.64051932675161 92.906 > 11 130 Nb 0.06855936175785 0.77434955067448 0.64051932675161 92.906 > 11 131 Nb 0.40189269509118 0.77434955067448 0.64051932675161 92.906 > 11 132 Nb 0.73522602842451 0.77434955067448 0.64051932675161 92.906 > 11 133 Nb 0.26477397157549 0.02434955067448 0.10948067324839 92.906 > 12 134 Nb 0.59810730490882 0.02434955067448 0.10948067324839 92.906 > 12 135 Nb 0.93144063824215 0.02434955067448 0.10948067324839 92.906 > 12 136 Nb 0.26477397157549 0.52434955067448 0.10948067324839 92.906 > 12 137 Nb 0.59810730490882 0.52434955067448 0.10948067324839 92.906 > 12 138 Nb 0.93144063824215 0.52434955067448 0.10948067324839 92.906 > 12 139 Nb 0.26477397157549 0.02434955067448 0.60948067324839 92.906 > 12 140 Nb 0.59810730490882 0.02434955067448 0.60948067324839 92.906 > 12 141 Nb 0.93144063824215 0.02434955067448 0.60948067324839 92.906 > 12 142 Nb 0.26477397157549 0.52434955067448 0.60948067324839 92.906 > 12 143 Nb 0.59810730490882 0.52434955067448 0.60948067324839 92.906 > 12 144 Nb 0.93144063824215 0.52434955067448 0.60948067324839 92.906 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0800480 0.0000000 -0.2257019 0.0000000 12.3891661 0.0000000 -0.2257021 0.0000000 10.9466143 -------------------------- Born effective charges -------------------------- 1 N -2.4752584 -0.3045497 0.2483550 -0.5830222 -4.3471432 -0.5031962 0.3452284 -0.6469381 -3.9666154 2 N -2.4752584 0.3045497 0.2483550 0.5830222 -4.3471432 0.5031962 0.3452284 0.6469381 -3.9666154 3 N -2.4752584 -0.3045497 0.2483550 -0.5830222 -4.3471432 -0.5031962 0.3452284 -0.6469381 -3.9666154 4 N -2.4752584 0.3045497 0.2483550 0.5830222 -4.3471432 0.5031962 0.3452284 0.6469381 -3.9666154 5 O -3.9213192 1.8263539 -0.1007803 1.7887810 -3.0929274 -0.9514899 -0.3165404 -0.6889269 -2.1263278 6 O -3.9213192 -1.8263539 -0.1007803 -1.7887810 -3.0929274 0.9514899 -0.3165404 0.6889269 -2.1263278 7 O -3.9213192 1.8263539 -0.1007803 1.7887810 -3.0929274 -0.9514899 -0.3165404 -0.6889269 -2.1263278 8 O -3.9213192 -1.8263539 -0.1007803 -1.7887810 -3.0929274 0.9514899 -0.3165404 0.6889269 -2.1263278 9 Nb 6.3965776 0.6089193 -0.1475747 0.5529530 7.4400706 0.1159711 -0.0286880 -0.3688267 6.0929432 10 Nb 6.3965776 -0.6089193 -0.1475747 -0.5529530 7.4400706 -0.1159711 -0.0286880 0.3688267 6.0929432 11 Nb 6.3965776 0.6089193 -0.1475747 0.5529530 7.4400706 0.1159711 -0.0286880 -0.3688267 6.0929432 12 Nb 6.3965776 -0.6089193 -0.1475747 -0.5529530 7.4400706 -0.1159711 -0.0286880 0.3688267 6.0929432 ---------------------------------------------------------------------------- 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: 2016 Number of blocks in projector: 2016 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (2016, 1990), data: False |-- (240, 237), data: True |-- (240, 237), data: True |-- (240, 237), data: True |-- (432, 426), data: True |-- (432, 427), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 4.405 Solver_block: 200 / 400 - Time: 4.419 Solver_block: 300 / 400 - Time: 4.420 Solver_block: 400 / 400 - Time: 4.426 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.733 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2016 Number of blocks in projector: 2016 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (2016, 1990), data: False |-- (240, 237), data: True |-- (240, 237), data: True |-- (240, 237), data: True |-- (432, 426), data: True |-- (432, 427), data: True |-- (432, 426), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:28:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:28:14]------------------------- 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): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.993775230094736 0.000000000000000 0.000000000000000 b 0.000000000000000 5.058307500000001 0.000000000000000 c -0.902047776417997 0.000000000000000 5.134432293782127 Atomic positions (fractional): 1 N 0.94049331557370 0.74539347491208 0.97786658540411 14.007 2 N 0.05950668442630 0.24539347491208 0.52213341459589 14.007 3 N 0.05950668442630 0.25460652508792 0.02213341459589 14.007 4 N 0.94049331557370 0.75460652508792 0.47786658540411 14.007 5 O 0.56218997916456 0.32492870269439 0.34808351102982 15.999 6 O 0.43781002083545 0.82492870269439 0.15191648897018 15.999 7 O 0.43781002083545 0.67507129730561 0.65191648897018 15.999 8 O 0.56218997916456 0.17507129730561 0.84808351102982 15.999 9 Nb 0.79432191472646 0.45130089865103 0.71896134649677 92.906 10 Nb 0.20567808527354 0.95130089865103 0.78103865350323 92.906 11 Nb 0.20567808527354 0.54869910134897 0.28103865350323 92.906 12 Nb 0.79432191472646 0.04869910134897 0.21896134649677 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.981325690284207 0.000000000000000 0.000000000000000 b 0.000000000000000 10.116615000000001 0.000000000000000 c -1.804095552835994 0.000000000000000 10.268864587564254 Atomic positions (fractional): 1 N 0.31349777185790 0.37269673745604 0.48893329270206 14.007 > 1 2 N 0.64683110519123 0.37269673745604 0.48893329270206 14.007 > 1 3 N 0.98016443852457 0.37269673745604 0.48893329270206 14.007 > 1 4 N 0.31349777185790 0.87269673745604 0.48893329270206 14.007 > 1 5 N 0.64683110519123 0.87269673745604 0.48893329270206 14.007 > 1 6 N 0.98016443852457 0.87269673745604 0.48893329270206 14.007 > 1 7 N 0.31349777185790 0.37269673745604 0.98893329270206 14.007 > 1 8 N 0.64683110519123 0.37269673745604 0.98893329270206 14.007 > 1 9 N 0.98016443852457 0.37269673745604 0.98893329270206 14.007 > 1 10 N 0.31349777185790 0.87269673745604 0.98893329270206 14.007 > 1 11 N 0.64683110519123 0.87269673745604 0.98893329270206 14.007 > 1 12 N 0.98016443852457 0.87269673745604 0.98893329270206 14.007 > 1 13 N 0.01983556147543 0.12269673745604 0.26106670729794 14.007 > 13 14 N 0.35316889480877 0.12269673745604 0.26106670729794 14.007 > 13 15 N 0.68650222814210 0.12269673745604 0.26106670729794 14.007 > 13 16 N 0.01983556147543 0.62269673745604 0.26106670729794 14.007 > 13 17 N 0.35316889480877 0.62269673745604 0.26106670729794 14.007 > 13 18 N 0.68650222814210 0.62269673745604 0.26106670729794 14.007 > 13 19 N 0.01983556147543 0.12269673745604 0.76106670729794 14.007 > 13 20 N 0.35316889480877 0.12269673745604 0.76106670729794 14.007 > 13 21 N 0.68650222814210 0.12269673745604 0.76106670729794 14.007 > 13 22 N 0.01983556147543 0.62269673745604 0.76106670729794 14.007 > 13 23 N 0.35316889480877 0.62269673745604 0.76106670729794 14.007 > 13 24 N 0.68650222814210 0.62269673745604 0.76106670729794 14.007 > 13 25 N 0.01983556147543 0.12730326254396 0.01106670729794 14.007 > 25 26 N 0.35316889480877 0.12730326254396 0.01106670729794 14.007 > 25 27 N 0.68650222814210 0.12730326254396 0.01106670729794 14.007 > 25 28 N 0.01983556147543 0.62730326254396 0.01106670729794 14.007 > 25 29 N 0.35316889480877 0.62730326254396 0.01106670729794 14.007 > 25 30 N 0.68650222814210 0.62730326254396 0.01106670729794 14.007 > 25 31 N 0.01983556147543 0.12730326254396 0.51106670729794 14.007 > 25 32 N 0.35316889480877 0.12730326254396 0.51106670729794 14.007 > 25 33 N 0.68650222814210 0.12730326254396 0.51106670729794 14.007 > 25 34 N 0.01983556147543 0.62730326254396 0.51106670729794 14.007 > 25 35 N 0.35316889480877 0.62730326254396 0.51106670729794 14.007 > 25 36 N 0.68650222814210 0.62730326254396 0.51106670729794 14.007 > 25 37 N 0.31349777185790 0.37730326254396 0.23893329270206 14.007 > 37 38 N 0.64683110519123 0.37730326254396 0.23893329270206 14.007 > 37 39 N 0.98016443852457 0.37730326254396 0.23893329270206 14.007 > 37 40 N 0.31349777185790 0.87730326254396 0.23893329270206 14.007 > 37 41 N 0.64683110519123 0.87730326254396 0.23893329270206 14.007 > 37 42 N 0.98016443852457 0.87730326254396 0.23893329270206 14.007 > 37 43 N 0.31349777185790 0.37730326254396 0.73893329270206 14.007 > 37 44 N 0.64683110519123 0.37730326254396 0.73893329270206 14.007 > 37 45 N 0.98016443852457 0.37730326254396 0.73893329270206 14.007 > 37 46 N 0.31349777185790 0.87730326254396 0.73893329270206 14.007 > 37 47 N 0.64683110519123 0.87730326254396 0.73893329270206 14.007 > 37 48 N 0.98016443852457 0.87730326254396 0.73893329270206 14.007 > 37 49 O 0.18739665972152 0.16246435134720 0.17404175551491 15.999 > 49 50 O 0.52072999305485 0.16246435134720 0.17404175551491 15.999 > 49 51 O 0.85406332638818 0.16246435134720 0.17404175551491 15.999 > 49 52 O 0.18739665972152 0.66246435134720 0.17404175551491 15.999 > 49 53 O 0.52072999305485 0.66246435134720 0.17404175551491 15.999 > 49 54 O 0.85406332638818 0.66246435134720 0.17404175551491 15.999 > 49 55 O 0.18739665972152 0.16246435134720 0.67404175551491 15.999 > 49 56 O 0.52072999305485 0.16246435134720 0.67404175551491 15.999 > 49 57 O 0.85406332638818 0.16246435134720 0.67404175551491 15.999 > 49 58 O 0.18739665972152 0.66246435134720 0.67404175551491 15.999 > 49 59 O 0.52072999305485 0.66246435134720 0.67404175551491 15.999 > 49 60 O 0.85406332638818 0.66246435134720 0.67404175551491 15.999 > 49 61 O 0.14593667361182 0.41246435134720 0.07595824448509 15.999 > 61 62 O 0.47927000694515 0.41246435134720 0.07595824448509 15.999 > 61 63 O 0.81260334027848 0.41246435134720 0.07595824448509 15.999 > 61 64 O 0.14593667361182 0.91246435134720 0.07595824448509 15.999 > 61 65 O 0.47927000694515 0.91246435134720 0.07595824448509 15.999 > 61 66 O 0.81260334027848 0.91246435134720 0.07595824448509 15.999 > 61 67 O 0.14593667361182 0.41246435134720 0.57595824448509 15.999 > 61 68 O 0.47927000694515 0.41246435134720 0.57595824448509 15.999 > 61 69 O 0.81260334027848 0.41246435134720 0.57595824448509 15.999 > 61 70 O 0.14593667361182 0.91246435134720 0.57595824448509 15.999 > 61 71 O 0.47927000694515 0.91246435134720 0.57595824448509 15.999 > 61 72 O 0.81260334027848 0.91246435134720 0.57595824448509 15.999 > 61 73 O 0.14593667361182 0.33753564865280 0.32595824448509 15.999 > 73 74 O 0.47927000694515 0.33753564865280 0.32595824448509 15.999 > 73 75 O 0.81260334027848 0.33753564865280 0.32595824448509 15.999 > 73 76 O 0.14593667361182 0.83753564865280 0.32595824448509 15.999 > 73 77 O 0.47927000694515 0.83753564865280 0.32595824448509 15.999 > 73 78 O 0.81260334027848 0.83753564865280 0.32595824448509 15.999 > 73 79 O 0.14593667361182 0.33753564865280 0.82595824448509 15.999 > 73 80 O 0.47927000694515 0.33753564865280 0.82595824448509 15.999 > 73 81 O 0.81260334027848 0.33753564865280 0.82595824448509 15.999 > 73 82 O 0.14593667361182 0.83753564865280 0.82595824448509 15.999 > 73 83 O 0.47927000694515 0.83753564865280 0.82595824448509 15.999 > 73 84 O 0.81260334027848 0.83753564865280 0.82595824448509 15.999 > 73 85 O 0.18739665972152 0.08753564865280 0.42404175551491 15.999 > 85 86 O 0.52072999305485 0.08753564865280 0.42404175551491 15.999 > 85 87 O 0.85406332638818 0.08753564865280 0.42404175551491 15.999 > 85 88 O 0.18739665972152 0.58753564865280 0.42404175551491 15.999 > 85 89 O 0.52072999305485 0.58753564865280 0.42404175551491 15.999 > 85 90 O 0.85406332638818 0.58753564865280 0.42404175551491 15.999 > 85 91 O 0.18739665972152 0.08753564865280 0.92404175551491 15.999 > 85 92 O 0.52072999305485 0.08753564865280 0.92404175551491 15.999 > 85 93 O 0.85406332638818 0.08753564865280 0.92404175551491 15.999 > 85 94 O 0.18739665972152 0.58753564865280 0.92404175551491 15.999 > 85 95 O 0.52072999305485 0.58753564865280 0.92404175551491 15.999 > 85 96 O 0.85406332638818 0.58753564865280 0.92404175551491 15.999 > 85 97 Nb 0.26477397157549 0.22565044932552 0.35948067324839 92.906 > 97 98 Nb 0.59810730490882 0.22565044932552 0.35948067324839 92.906 > 97 99 Nb 0.93144063824215 0.22565044932552 0.35948067324839 92.906 > 97 100 Nb 0.26477397157549 0.72565044932552 0.35948067324839 92.906 > 97 101 Nb 0.59810730490882 0.72565044932552 0.35948067324839 92.906 > 97 102 Nb 0.93144063824215 0.72565044932552 0.35948067324839 92.906 > 97 103 Nb 0.26477397157549 0.22565044932552 0.85948067324839 92.906 > 97 104 Nb 0.59810730490882 0.22565044932552 0.85948067324839 92.906 > 97 105 Nb 0.93144063824215 0.22565044932552 0.85948067324839 92.906 > 97 106 Nb 0.26477397157549 0.72565044932552 0.85948067324839 92.906 > 97 107 Nb 0.59810730490882 0.72565044932552 0.85948067324839 92.906 > 97 108 Nb 0.93144063824215 0.72565044932552 0.85948067324839 92.906 > 97 109 Nb 0.06855936175785 0.47565044932552 0.39051932675161 92.906 > 109 110 Nb 0.40189269509118 0.47565044932552 0.39051932675161 92.906 > 109 111 Nb 0.73522602842451 0.47565044932552 0.39051932675161 92.906 > 109 112 Nb 0.06855936175785 0.97565044932552 0.39051932675161 92.906 > 109 113 Nb 0.40189269509118 0.97565044932552 0.39051932675161 92.906 > 109 114 Nb 0.73522602842451 0.97565044932552 0.39051932675161 92.906 > 109 115 Nb 0.06855936175785 0.47565044932552 0.89051932675161 92.906 > 109 116 Nb 0.40189269509118 0.47565044932552 0.89051932675161 92.906 > 109 117 Nb 0.73522602842451 0.47565044932552 0.89051932675161 92.906 > 109 118 Nb 0.06855936175785 0.97565044932552 0.89051932675161 92.906 > 109 119 Nb 0.40189269509118 0.97565044932552 0.89051932675161 92.906 > 109 120 Nb 0.73522602842451 0.97565044932552 0.89051932675161 92.906 > 109 121 Nb 0.06855936175785 0.27434955067448 0.14051932675161 92.906 > 121 122 Nb 0.40189269509118 0.27434955067448 0.14051932675161 92.906 > 121 123 Nb 0.73522602842451 0.27434955067448 0.14051932675161 92.906 > 121 124 Nb 0.06855936175785 0.77434955067448 0.14051932675161 92.906 > 121 125 Nb 0.40189269509118 0.77434955067448 0.14051932675161 92.906 > 121 126 Nb 0.73522602842451 0.77434955067448 0.14051932675161 92.906 > 121 127 Nb 0.06855936175785 0.27434955067448 0.64051932675161 92.906 > 121 128 Nb 0.40189269509118 0.27434955067448 0.64051932675161 92.906 > 121 129 Nb 0.73522602842451 0.27434955067448 0.64051932675161 92.906 > 121 130 Nb 0.06855936175785 0.77434955067448 0.64051932675161 92.906 > 121 131 Nb 0.40189269509118 0.77434955067448 0.64051932675161 92.906 > 121 132 Nb 0.73522602842451 0.77434955067448 0.64051932675161 92.906 > 121 133 Nb 0.26477397157549 0.02434955067448 0.10948067324839 92.906 > 133 134 Nb 0.59810730490882 0.02434955067448 0.10948067324839 92.906 > 133 135 Nb 0.93144063824215 0.02434955067448 0.10948067324839 92.906 > 133 136 Nb 0.26477397157549 0.52434955067448 0.10948067324839 92.906 > 133 137 Nb 0.59810730490882 0.52434955067448 0.10948067324839 92.906 > 133 138 Nb 0.93144063824215 0.52434955067448 0.10948067324839 92.906 > 133 139 Nb 0.26477397157549 0.02434955067448 0.60948067324839 92.906 > 133 140 Nb 0.59810730490882 0.02434955067448 0.60948067324839 92.906 > 133 141 Nb 0.93144063824215 0.02434955067448 0.60948067324839 92.906 > 133 142 Nb 0.26477397157549 0.52434955067448 0.60948067324839 92.906 > 133 143 Nb 0.59810730490882 0.52434955067448 0.60948067324839 92.906 > 133 144 Nb 0.93144063824215 0.52434955067448 0.60948067324839 92.906 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0800480 0.0000000 -0.2257019 0.0000000 12.3891661 0.0000000 -0.2257021 0.0000000 10.9466143 -------------------------- Born effective charges -------------------------- 1 N -2.4752584 -0.3045497 0.2483550 -0.5830222 -4.3471432 -0.5031962 0.3452284 -0.6469381 -3.9666154 2 N -2.4752584 0.3045497 0.2483550 0.5830222 -4.3471432 0.5031962 0.3452284 0.6469381 -3.9666154 3 N -2.4752584 -0.3045497 0.2483550 -0.5830222 -4.3471432 -0.5031962 0.3452284 -0.6469381 -3.9666154 4 N -2.4752584 0.3045497 0.2483550 0.5830222 -4.3471432 0.5031962 0.3452284 0.6469381 -3.9666154 5 O -3.9213192 1.8263539 -0.1007803 1.7887810 -3.0929274 -0.9514899 -0.3165404 -0.6889269 -2.1263278 6 O -3.9213192 -1.8263539 -0.1007803 -1.7887810 -3.0929274 0.9514899 -0.3165404 0.6889269 -2.1263278 7 O -3.9213192 1.8263539 -0.1007803 1.7887810 -3.0929274 -0.9514899 -0.3165404 -0.6889269 -2.1263278 8 O -3.9213192 -1.8263539 -0.1007803 -1.7887810 -3.0929274 0.9514899 -0.3165404 0.6889269 -2.1263278 9 Nb 6.3965776 0.6089193 -0.1475747 0.5529530 7.4400706 0.1159711 -0.0286880 -0.3688267 6.0929432 10 Nb 6.3965776 -0.6089193 -0.1475747 -0.5529530 7.4400706 -0.1159711 -0.0286880 0.3688267 6.0929432 11 Nb 6.3965776 0.6089193 -0.1475747 0.5529530 7.4400706 0.1159711 -0.0286880 -0.3688267 6.0929432 12 Nb 6.3965776 -0.6089193 -0.1475747 -0.5529530 7.4400706 -0.1159711 -0.0286880 0.3688267 6.0929432 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) 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 22:28:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:28:35]------------------------- 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): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.993775230094736 0.000000000000000 0.000000000000000 b 0.000000000000000 5.058307500000001 0.000000000000000 c -0.902047776417997 0.000000000000000 5.134432293782127 Atomic positions (fractional): 1 N 0.94049331557370 0.74539347491208 0.97786658540411 14.007 2 N 0.05950668442630 0.24539347491208 0.52213341459589 14.007 3 N 0.05950668442630 0.25460652508792 0.02213341459589 14.007 4 N 0.94049331557370 0.75460652508792 0.47786658540411 14.007 5 O 0.56218997916456 0.32492870269439 0.34808351102982 15.999 6 O 0.43781002083545 0.82492870269439 0.15191648897018 15.999 7 O 0.43781002083545 0.67507129730561 0.65191648897018 15.999 8 O 0.56218997916456 0.17507129730561 0.84808351102982 15.999 9 Nb 0.79432191472646 0.45130089865103 0.71896134649677 92.906 10 Nb 0.20567808527354 0.95130089865103 0.78103865350323 92.906 11 Nb 0.20567808527354 0.54869910134897 0.28103865350323 92.906 12 Nb 0.79432191472646 0.04869910134897 0.21896134649677 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.981325690284207 0.000000000000000 0.000000000000000 b 0.000000000000000 10.116615000000001 0.000000000000000 c -1.804095552835994 0.000000000000000 10.268864587564254 Atomic positions (fractional): 1 N 0.31349777185790 0.37269673745604 0.48893329270206 14.007 > 1 2 N 0.64683110519123 0.37269673745604 0.48893329270206 14.007 > 1 3 N 0.98016443852457 0.37269673745604 0.48893329270206 14.007 > 1 4 N 0.31349777185790 0.87269673745604 0.48893329270206 14.007 > 1 5 N 0.64683110519123 0.87269673745604 0.48893329270206 14.007 > 1 6 N 0.98016443852457 0.87269673745604 0.48893329270206 14.007 > 1 7 N 0.31349777185790 0.37269673745604 0.98893329270206 14.007 > 1 8 N 0.64683110519123 0.37269673745604 0.98893329270206 14.007 > 1 9 N 0.98016443852457 0.37269673745604 0.98893329270206 14.007 > 1 10 N 0.31349777185790 0.87269673745604 0.98893329270206 14.007 > 1 11 N 0.64683110519123 0.87269673745604 0.98893329270206 14.007 > 1 12 N 0.98016443852457 0.87269673745604 0.98893329270206 14.007 > 1 13 N 0.01983556147543 0.12269673745604 0.26106670729794 14.007 > 13 14 N 0.35316889480877 0.12269673745604 0.26106670729794 14.007 > 13 15 N 0.68650222814210 0.12269673745604 0.26106670729794 14.007 > 13 16 N 0.01983556147543 0.62269673745604 0.26106670729794 14.007 > 13 17 N 0.35316889480877 0.62269673745604 0.26106670729794 14.007 > 13 18 N 0.68650222814210 0.62269673745604 0.26106670729794 14.007 > 13 19 N 0.01983556147543 0.12269673745604 0.76106670729794 14.007 > 13 20 N 0.35316889480877 0.12269673745604 0.76106670729794 14.007 > 13 21 N 0.68650222814210 0.12269673745604 0.76106670729794 14.007 > 13 22 N 0.01983556147543 0.62269673745604 0.76106670729794 14.007 > 13 23 N 0.35316889480877 0.62269673745604 0.76106670729794 14.007 > 13 24 N 0.68650222814210 0.62269673745604 0.76106670729794 14.007 > 13 25 N 0.01983556147543 0.12730326254396 0.01106670729794 14.007 > 25 26 N 0.35316889480877 0.12730326254396 0.01106670729794 14.007 > 25 27 N 0.68650222814210 0.12730326254396 0.01106670729794 14.007 > 25 28 N 0.01983556147543 0.62730326254396 0.01106670729794 14.007 > 25 29 N 0.35316889480877 0.62730326254396 0.01106670729794 14.007 > 25 30 N 0.68650222814210 0.62730326254396 0.01106670729794 14.007 > 25 31 N 0.01983556147543 0.12730326254396 0.51106670729794 14.007 > 25 32 N 0.35316889480877 0.12730326254396 0.51106670729794 14.007 > 25 33 N 0.68650222814210 0.12730326254396 0.51106670729794 14.007 > 25 34 N 0.01983556147543 0.62730326254396 0.51106670729794 14.007 > 25 35 N 0.35316889480877 0.62730326254396 0.51106670729794 14.007 > 25 36 N 0.68650222814210 0.62730326254396 0.51106670729794 14.007 > 25 37 N 0.31349777185790 0.37730326254396 0.23893329270206 14.007 > 37 38 N 0.64683110519123 0.37730326254396 0.23893329270206 14.007 > 37 39 N 0.98016443852457 0.37730326254396 0.23893329270206 14.007 > 37 40 N 0.31349777185790 0.87730326254396 0.23893329270206 14.007 > 37 41 N 0.64683110519123 0.87730326254396 0.23893329270206 14.007 > 37 42 N 0.98016443852457 0.87730326254396 0.23893329270206 14.007 > 37 43 N 0.31349777185790 0.37730326254396 0.73893329270206 14.007 > 37 44 N 0.64683110519123 0.37730326254396 0.73893329270206 14.007 > 37 45 N 0.98016443852457 0.37730326254396 0.73893329270206 14.007 > 37 46 N 0.31349777185790 0.87730326254396 0.73893329270206 14.007 > 37 47 N 0.64683110519123 0.87730326254396 0.73893329270206 14.007 > 37 48 N 0.98016443852457 0.87730326254396 0.73893329270206 14.007 > 37 49 O 0.18739665972152 0.16246435134720 0.17404175551491 15.999 > 49 50 O 0.52072999305485 0.16246435134720 0.17404175551491 15.999 > 49 51 O 0.85406332638818 0.16246435134720 0.17404175551491 15.999 > 49 52 O 0.18739665972152 0.66246435134720 0.17404175551491 15.999 > 49 53 O 0.52072999305485 0.66246435134720 0.17404175551491 15.999 > 49 54 O 0.85406332638818 0.66246435134720 0.17404175551491 15.999 > 49 55 O 0.18739665972152 0.16246435134720 0.67404175551491 15.999 > 49 56 O 0.52072999305485 0.16246435134720 0.67404175551491 15.999 > 49 57 O 0.85406332638818 0.16246435134720 0.67404175551491 15.999 > 49 58 O 0.18739665972152 0.66246435134720 0.67404175551491 15.999 > 49 59 O 0.52072999305485 0.66246435134720 0.67404175551491 15.999 > 49 60 O 0.85406332638818 0.66246435134720 0.67404175551491 15.999 > 49 61 O 0.14593667361182 0.41246435134720 0.07595824448509 15.999 > 61 62 O 0.47927000694515 0.41246435134720 0.07595824448509 15.999 > 61 63 O 0.81260334027848 0.41246435134720 0.07595824448509 15.999 > 61 64 O 0.14593667361182 0.91246435134720 0.07595824448509 15.999 > 61 65 O 0.47927000694515 0.91246435134720 0.07595824448509 15.999 > 61 66 O 0.81260334027848 0.91246435134720 0.07595824448509 15.999 > 61 67 O 0.14593667361182 0.41246435134720 0.57595824448509 15.999 > 61 68 O 0.47927000694515 0.41246435134720 0.57595824448509 15.999 > 61 69 O 0.81260334027848 0.41246435134720 0.57595824448509 15.999 > 61 70 O 0.14593667361182 0.91246435134720 0.57595824448509 15.999 > 61 71 O 0.47927000694515 0.91246435134720 0.57595824448509 15.999 > 61 72 O 0.81260334027848 0.91246435134720 0.57595824448509 15.999 > 61 73 O 0.14593667361182 0.33753564865280 0.32595824448509 15.999 > 73 74 O 0.47927000694515 0.33753564865280 0.32595824448509 15.999 > 73 75 O 0.81260334027848 0.33753564865280 0.32595824448509 15.999 > 73 76 O 0.14593667361182 0.83753564865280 0.32595824448509 15.999 > 73 77 O 0.47927000694515 0.83753564865280 0.32595824448509 15.999 > 73 78 O 0.81260334027848 0.83753564865280 0.32595824448509 15.999 > 73 79 O 0.14593667361182 0.33753564865280 0.82595824448509 15.999 > 73 80 O 0.47927000694515 0.33753564865280 0.82595824448509 15.999 > 73 81 O 0.81260334027848 0.33753564865280 0.82595824448509 15.999 > 73 82 O 0.14593667361182 0.83753564865280 0.82595824448509 15.999 > 73 83 O 0.47927000694515 0.83753564865280 0.82595824448509 15.999 > 73 84 O 0.81260334027848 0.83753564865280 0.82595824448509 15.999 > 73 85 O 0.18739665972152 0.08753564865280 0.42404175551491 15.999 > 85 86 O 0.52072999305485 0.08753564865280 0.42404175551491 15.999 > 85 87 O 0.85406332638818 0.08753564865280 0.42404175551491 15.999 > 85 88 O 0.18739665972152 0.58753564865280 0.42404175551491 15.999 > 85 89 O 0.52072999305485 0.58753564865280 0.42404175551491 15.999 > 85 90 O 0.85406332638818 0.58753564865280 0.42404175551491 15.999 > 85 91 O 0.18739665972152 0.08753564865280 0.92404175551491 15.999 > 85 92 O 0.52072999305485 0.08753564865280 0.92404175551491 15.999 > 85 93 O 0.85406332638818 0.08753564865280 0.92404175551491 15.999 > 85 94 O 0.18739665972152 0.58753564865280 0.92404175551491 15.999 > 85 95 O 0.52072999305485 0.58753564865280 0.92404175551491 15.999 > 85 96 O 0.85406332638818 0.58753564865280 0.92404175551491 15.999 > 85 97 Nb 0.26477397157549 0.22565044932552 0.35948067324839 92.906 > 97 98 Nb 0.59810730490882 0.22565044932552 0.35948067324839 92.906 > 97 99 Nb 0.93144063824215 0.22565044932552 0.35948067324839 92.906 > 97 100 Nb 0.26477397157549 0.72565044932552 0.35948067324839 92.906 > 97 101 Nb 0.59810730490882 0.72565044932552 0.35948067324839 92.906 > 97 102 Nb 0.93144063824215 0.72565044932552 0.35948067324839 92.906 > 97 103 Nb 0.26477397157549 0.22565044932552 0.85948067324839 92.906 > 97 104 Nb 0.59810730490882 0.22565044932552 0.85948067324839 92.906 > 97 105 Nb 0.93144063824215 0.22565044932552 0.85948067324839 92.906 > 97 106 Nb 0.26477397157549 0.72565044932552 0.85948067324839 92.906 > 97 107 Nb 0.59810730490882 0.72565044932552 0.85948067324839 92.906 > 97 108 Nb 0.93144063824215 0.72565044932552 0.85948067324839 92.906 > 97 109 Nb 0.06855936175785 0.47565044932552 0.39051932675161 92.906 > 109 110 Nb 0.40189269509118 0.47565044932552 0.39051932675161 92.906 > 109 111 Nb 0.73522602842451 0.47565044932552 0.39051932675161 92.906 > 109 112 Nb 0.06855936175785 0.97565044932552 0.39051932675161 92.906 > 109 113 Nb 0.40189269509118 0.97565044932552 0.39051932675161 92.906 > 109 114 Nb 0.73522602842451 0.97565044932552 0.39051932675161 92.906 > 109 115 Nb 0.06855936175785 0.47565044932552 0.89051932675161 92.906 > 109 116 Nb 0.40189269509118 0.47565044932552 0.89051932675161 92.906 > 109 117 Nb 0.73522602842451 0.47565044932552 0.89051932675161 92.906 > 109 118 Nb 0.06855936175785 0.97565044932552 0.89051932675161 92.906 > 109 119 Nb 0.40189269509118 0.97565044932552 0.89051932675161 92.906 > 109 120 Nb 0.73522602842451 0.97565044932552 0.89051932675161 92.906 > 109 121 Nb 0.06855936175785 0.27434955067448 0.14051932675161 92.906 > 121 122 Nb 0.40189269509118 0.27434955067448 0.14051932675161 92.906 > 121 123 Nb 0.73522602842451 0.27434955067448 0.14051932675161 92.906 > 121 124 Nb 0.06855936175785 0.77434955067448 0.14051932675161 92.906 > 121 125 Nb 0.40189269509118 0.77434955067448 0.14051932675161 92.906 > 121 126 Nb 0.73522602842451 0.77434955067448 0.14051932675161 92.906 > 121 127 Nb 0.06855936175785 0.27434955067448 0.64051932675161 92.906 > 121 128 Nb 0.40189269509118 0.27434955067448 0.64051932675161 92.906 > 121 129 Nb 0.73522602842451 0.27434955067448 0.64051932675161 92.906 > 121 130 Nb 0.06855936175785 0.77434955067448 0.64051932675161 92.906 > 121 131 Nb 0.40189269509118 0.77434955067448 0.64051932675161 92.906 > 121 132 Nb 0.73522602842451 0.77434955067448 0.64051932675161 92.906 > 121 133 Nb 0.26477397157549 0.02434955067448 0.10948067324839 92.906 > 133 134 Nb 0.59810730490882 0.02434955067448 0.10948067324839 92.906 > 133 135 Nb 0.93144063824215 0.02434955067448 0.10948067324839 92.906 > 133 136 Nb 0.26477397157549 0.52434955067448 0.10948067324839 92.906 > 133 137 Nb 0.59810730490882 0.52434955067448 0.10948067324839 92.906 > 133 138 Nb 0.93144063824215 0.52434955067448 0.10948067324839 92.906 > 133 139 Nb 0.26477397157549 0.02434955067448 0.60948067324839 92.906 > 133 140 Nb 0.59810730490882 0.02434955067448 0.60948067324839 92.906 > 133 141 Nb 0.93144063824215 0.02434955067448 0.60948067324839 92.906 > 133 142 Nb 0.26477397157549 0.52434955067448 0.60948067324839 92.906 > 133 143 Nb 0.59810730490882 0.52434955067448 0.60948067324839 92.906 > 133 144 Nb 0.93144063824215 0.52434955067448 0.60948067324839 92.906 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.0800480 0.0000000 -0.2257019 0.0000000 12.3891661 0.0000000 -0.2257021 0.0000000 10.9466143 -------------------------- Born effective charges -------------------------- 1 N -2.4752584 -0.3045497 0.2483550 -0.5830222 -4.3471432 -0.5031962 0.3452284 -0.6469381 -3.9666154 2 N -2.4752584 0.3045497 0.2483550 0.5830222 -4.3471432 0.5031962 0.3452284 0.6469381 -3.9666154 3 N -2.4752584 -0.3045497 0.2483550 -0.5830222 -4.3471432 -0.5031962 0.3452284 -0.6469381 -3.9666154 4 N -2.4752584 0.3045497 0.2483550 0.5830222 -4.3471432 0.5031962 0.3452284 0.6469381 -3.9666154 5 O -3.9213192 1.8263539 -0.1007803 1.7887810 -3.0929274 -0.9514899 -0.3165404 -0.6889269 -2.1263278 6 O -3.9213192 -1.8263539 -0.1007803 -1.7887810 -3.0929274 0.9514899 -0.3165404 0.6889269 -2.1263278 7 O -3.9213192 1.8263539 -0.1007803 1.7887810 -3.0929274 -0.9514899 -0.3165404 -0.6889269 -2.1263278 8 O -3.9213192 -1.8263539 -0.1007803 -1.7887810 -3.0929274 0.9514899 -0.3165404 0.6889269 -2.1263278 9 Nb 6.3965776 0.6089193 -0.1475747 0.5529530 7.4400706 0.1159711 -0.0286880 -0.3688267 6.0929432 10 Nb 6.3965776 -0.6089193 -0.1475747 -0.5529530 7.4400706 -0.1159711 -0.0286880 0.3688267 6.0929432 11 Nb 6.3965776 0.6089193 -0.1475747 0.5529530 7.4400706 0.1159711 -0.0286880 -0.3688267 6.0929432 12 Nb 6.3965776 -0.6089193 -0.1475747 -0.5529530 7.4400706 -0.1159711 -0.0286880 0.3688267 6.0929432 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.82, Number of G-points: 297, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/312) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.772 ( 0.000 0.000 0.000) 0.000 10.663 ( 0.000 0.000 0.000) 0.000 11.279 ( 0.000 0.000 0.000) 0.000 12.102 ( 0.000 0.000 0.000) 0.000 12.374 ( 0.000 0.000 0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 12.781 ( 0.000 0.000 0.000) 0.000 13.124 ( 0.000 0.000 0.000) 0.000 14.233 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 14.549 ( 0.000 0.000 0.000) 0.000 14.579 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 15.960 ( 0.000 0.000 0.000) 0.000 17.578 ( 0.000 0.000 0.000) 0.000 18.549 ( 0.000 0.000 0.000) 0.000 19.386 ( 0.000 0.000 0.000) 0.000 20.799 ( 0.000 0.000 0.000) 0.000 21.368 ( 0.000 0.000 0.000) 0.000 21.697 ( 0.000 0.000 0.000) 0.000 23.142 ( 0.000 0.000 0.000) 0.000 23.642 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/312) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 36.935 0.000 -8.360) 37.869 0.996 ( 48.305 0.000 4.760) 48.539 1.677 ( 78.851 0.000 20.254) 81.411 4.618 ( 4.207 0.000 -0.576) 4.246 5.400 ( -2.354 0.000 4.123) 4.748 5.596 ( -4.484 0.000 0.575) 4.520 5.966 ( 9.658 0.000 -10.458) 14.235 6.257 ( -8.067 0.000 -2.818) 8.545 6.902 ( -5.853 0.000 4.900) 7.633 7.464 ( -2.191 0.000 -0.966) 2.395 7.736 ( 4.583 0.000 -11.544) 12.420 7.764 ( 6.918 0.000 0.419) 6.931 9.004 ( -0.966 0.000 0.160) 0.979 9.541 ( -5.599 0.000 1.924) 5.921 9.787 ( 1.807 0.000 -1.472) 2.331 10.612 ( -3.983 0.000 -6.163) 7.338 12.001 ( -9.216 0.000 15.647) 18.159 12.347 ( -2.575 0.000 40.817) 40.898 12.357 ( -1.870 0.000 -5.627) 5.930 12.613 ( -0.195 0.000 -3.416) 3.421 12.942 ( 1.778 0.000 -25.747) 25.808 13.139 ( 3.306 0.000 0.118) 3.308 14.187 ( -14.720 0.000 -5.152) 15.595 14.301 ( 7.042 0.000 -1.674) 7.238 14.689 ( 7.406 0.000 8.116) 10.987 14.749 ( 10.859 0.000 -5.636) 12.235 15.279 ( 9.661 0.000 -69.002) 69.675 17.579 ( -0.587 0.000 3.629) 3.676 18.535 ( -1.639 0.000 1.083) 1.964 19.361 ( -3.066 0.000 2.732) 4.107 20.469 ( -8.135 0.000 52.260) 52.890 20.643 ( -14.006 0.000 -2.905) 14.305 21.301 ( -6.491 0.000 0.848) 6.546 22.990 ( 10.397 0.000 -44.313) 45.517 23.145 ( 1.066 0.000 -4.392) 4.520 23.735 ( 7.519 0.000 5.580) 9.363 ======================= Grid point 2 (3/312) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 36.305 0.000 -6.418) 36.868 1.957 ( 45.755 0.000 4.571) 45.983 3.270 ( 72.439 0.000 17.846) 74.605 4.696 ( 2.218 0.000 -0.453) 2.264 5.369 ( -2.431 0.000 6.609) 7.042 5.437 ( -8.234 0.000 -4.481) 9.374 6.009 ( -14.884 0.000 -5.056) 15.719 6.257 ( 22.149 0.000 -11.874) 25.131 6.790 ( -7.342 0.000 9.218) 11.785 7.402 ( -3.537 0.000 0.030) 3.537 7.797 ( 2.675 0.000 2.932) 3.969 7.913 ( 6.996 0.000 -1.732) 7.207 8.935 ( -6.763 0.000 -1.789) 6.995 9.392 ( -10.257 0.000 5.264) 11.529 9.838 ( 3.988 0.000 -2.295) 4.601 10.471 ( -6.744 0.000 -10.619) 12.580 11.898 ( -5.003 0.000 9.516) 10.751 12.229 ( -7.680 0.000 -9.471) 12.193 12.368 ( -5.630 0.000 17.840) 18.707 12.629 ( 2.956 0.000 -2.995) 4.209 12.857 ( -4.748 0.000 -5.214) 7.052 13.312 ( 12.879 0.000 4.521) 13.650 13.852 ( -15.493 0.000 -8.829) 17.832 14.499 ( 13.131 0.000 -2.443) 13.356 14.786 ( 2.313 0.000 -7.405) 7.758 15.038 ( 15.988 0.000 8.777) 18.239 15.215 ( 2.584 0.000 -35.300) 35.394 17.581 ( -0.686 0.000 5.511) 5.554 18.489 ( -3.504 0.000 1.848) 3.962 19.279 ( -6.728 0.000 5.018) 8.393 20.280 ( -18.994 0.000 -5.318) 19.724 20.497 ( -2.222 0.000 22.261) 22.372 21.132 ( -10.335 0.000 1.652) 10.466 23.057 ( 7.434 0.000 -20.594) 21.894 23.154 ( 1.281 0.000 -3.754) 3.967 23.939 ( 9.776 0.000 5.571) 11.251 ======================= Grid point 3 (4/312) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 34.803 0.000 -3.775) 35.007 2.851 ( 41.709 0.000 4.328) 41.933 4.422 ( 6.476 0.000 2.588) 6.974 4.848 ( 40.823 0.000 6.975) 41.414 5.343 ( -3.486 0.000 5.696) 6.678 5.355 ( 4.037 0.000 -1.575) 4.333 5.649 ( -17.752 0.000 -5.822) 18.682 6.689 ( -6.237 0.000 12.828) 14.264 6.717 ( 26.509 0.000 -11.814) 29.023 7.335 ( -3.083 0.000 1.387) 3.381 7.863 ( 2.199 0.000 8.962) 9.227 8.000 ( 2.719 0.000 -6.266) 6.830 8.690 ( -16.714 0.000 -3.962) 17.177 9.163 ( -14.808 0.000 3.953) 15.326 9.927 ( 5.424 0.000 -1.973) 5.772 10.290 ( -6.843 0.000 -10.795) 12.781 11.875 ( 0.051 0.000 5.817) 5.818 12.028 ( -8.310 0.000 -7.899) 11.465 12.291 ( -6.602 0.000 13.657) 15.170 12.663 ( 0.513 0.000 -13.974) 13.983 12.737 ( -5.572 0.000 9.748) 11.228 13.516 ( -11.726 0.000 -8.494) 14.479 13.656 ( 15.499 0.000 7.010) 17.011 14.745 ( -2.970 0.000 -11.525) 11.902 14.787 ( 15.528 0.000 -1.944) 15.649 15.145 ( 0.571 0.000 -21.320) 21.328 15.397 ( 15.638 0.000 9.471) 18.282 17.595 ( 0.363 0.000 5.038) 5.051 18.409 ( -5.021 0.000 1.977) 5.396 19.114 ( -11.709 0.000 5.394) 12.891 19.916 ( -13.955 0.000 -5.730) 15.086 20.532 ( -0.006 0.000 9.854) 9.854 20.925 ( -10.403 0.000 2.617) 10.727 23.132 ( 5.456 0.000 -11.292) 12.541 23.168 ( 1.020 0.000 -1.905) 2.161 24.136 ( 7.870 0.000 3.557) 8.636 ======================= Grid point 4 (5/312) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 31.003 0.000 -1.091) 31.022 3.642 ( 35.070 0.000 3.987) 35.296 4.109 ( -22.607 0.000 -2.133) 22.708 5.090 ( -22.142 0.000 -2.949) 22.338 5.338 ( 5.926 0.000 -6.008) 8.439 5.441 ( -1.801 0.000 0.443) 1.854 6.030 ( 46.557 0.000 13.245) 48.405 6.638 ( -3.148 0.000 10.979) 11.421 7.162 ( 18.699 0.000 -6.869) 19.921 7.295 ( -1.532 0.000 1.911) 2.449 7.963 ( 4.005 0.000 4.636) 6.126 7.986 ( -0.786 0.000 -7.791) 7.830 8.282 ( -18.730 0.000 -1.370) 18.780 8.813 ( -20.522 0.000 -0.135) 20.523 10.024 ( 4.350 0.000 -1.490) 4.598 10.146 ( -4.206 0.000 -5.775) 7.145 11.870 ( -4.941 0.000 -4.149) 6.451 11.930 ( 3.272 0.000 2.481) 4.106 12.224 ( -4.265 0.000 12.011) 12.746 12.528 ( -5.935 0.000 -9.944) 11.581 12.738 ( 0.163 0.000 4.359) 4.362 13.274 ( -8.022 0.000 -5.883) 9.948 14.019 ( 15.936 0.000 10.036) 18.833 14.592 ( -7.910 0.000 -12.477) 14.773 15.061 ( 10.719 0.000 0.473) 10.729 15.095 ( 0.468 0.000 -11.819) 11.828 15.691 ( 10.091 0.000 5.848) 11.663 17.633 ( 1.801 0.000 2.866) 3.385 18.316 ( -4.268 0.000 1.290) 4.459 18.876 ( -11.781 0.000 2.787) 12.106 19.707 ( -5.624 0.000 -3.072) 6.408 20.562 ( 0.874 0.000 2.028) 2.208 20.758 ( -6.849 0.000 3.404) 7.649 23.180 ( 0.558 0.000 -0.663) 0.867 23.189 ( 2.933 0.000 -5.176) 5.949 24.267 ( 4.188 0.000 1.600) 4.483 ======================= Grid point 5 (6/312) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 4.129 ( -0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 -0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.641 ( -0.000 0.000 -0.000) 0.000 7.284 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 -0.000) 0.000 7.841 ( 0.000 0.000 -0.000) 0.000 7.956 ( 0.000 0.000 -0.000) 0.000 8.344 ( -0.000 0.000 -0.000) 0.000 8.418 ( 0.000 0.000 0.000) 0.000 10.076 ( -0.000 0.000 -0.000) 0.000 10.085 ( 0.000 0.000 -0.000) 0.000 11.812 ( 0.000 0.000 -0.000) 0.000 11.979 ( 0.000 0.000 -0.000) 0.000 12.205 ( 0.000 0.000 -0.000) 0.000 12.435 ( 0.000 0.000 -0.000) 0.000 12.747 ( 0.000 0.000 0.000) 0.000 13.180 ( 0.000 0.000 0.000) 0.000 14.330 ( -0.000 0.000 -0.000) 0.000 14.359 ( 0.000 0.000 0.000) 0.000 15.077 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 -0.000) 0.000 15.808 ( 0.000 0.000 -0.000) 0.000 17.663 ( 0.000 0.000 -0.000) 0.000 18.271 ( 0.000 0.000 0.000) 0.000 18.746 ( 0.000 0.000 -0.000) 0.000 19.649 ( 0.000 0.000 0.000) 0.000 20.577 ( 0.000 0.000 0.000) 0.000 20.691 ( 0.000 0.000 -0.000) 0.000 23.184 ( 0.000 0.000 -0.000) 0.000 23.209 ( 0.000 0.000 0.000) 0.000 24.312 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/312) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 39.082 0.000) 39.082 0.974 ( 0.000 48.883 0.000) 48.883 1.749 ( 0.000 87.274 0.000) 87.274 4.598 ( 0.000 2.024 0.000) 2.024 5.523 ( 0.000 10.483 0.000) 10.483 5.674 ( 0.000 4.695 0.000) 4.695 5.934 ( 0.000 2.739 0.000) 2.739 6.344 ( 0.000 -1.710 0.000) 1.710 6.926 ( 0.000 -3.313 0.000) 3.313 7.605 ( 0.000 9.770 0.000) 9.770 7.653 ( 0.000 -1.660 0.000) 1.660 8.260 ( 0.000 1.141 0.000) 1.141 8.988 ( 0.000 -2.225 0.000) 2.225 9.573 ( 0.000 -3.299 0.000) 3.299 9.717 ( 0.000 -2.935 0.000) 2.935 10.584 ( 0.000 -7.919 0.000) 7.919 11.292 ( 0.000 1.085 0.000) 1.085 12.163 ( 0.000 5.588 0.000) 5.588 12.353 ( 0.000 -12.652 0.000) 12.652 12.782 ( 0.000 0.424 0.000) 0.424 12.802 ( 0.000 10.147 0.000) 10.147 14.101 ( 0.000 -7.589 0.000) 7.589 14.167 ( 0.000 -17.102 0.000) 17.102 14.473 ( 0.000 0.521 0.000) 0.521 14.578 ( 0.000 12.026 0.000) 12.026 14.871 ( 0.000 14.753 0.000) 14.753 15.919 ( 0.000 -3.841 0.000) 3.841 17.446 ( 0.000 0.853 0.000) 0.853 18.544 ( 0.000 -0.247 0.000) 0.247 19.383 ( 0.000 -0.461 0.000) 0.461 20.596 ( 0.000 -17.460 0.000) 17.460 21.196 ( 0.000 -11.648 0.000) 11.648 21.361 ( 0.000 3.878 0.000) 3.878 21.841 ( 0.000 11.595 0.000) 11.595 23.638 ( 0.000 -0.414 0.000) 0.414 23.741 ( 0.000 1.294 0.000) 1.294 ======================= Grid point 12 (8/312) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 21.718 30.966 2.282) 37.892 1.411 ( 35.455 31.717 3.550) 47.704 2.383 ( 53.056 61.219 10.716) 81.717 4.647 ( 4.373 2.299 -0.100) 4.942 5.448 ( -5.439 3.205 2.266) 6.708 5.723 ( -3.080 12.230 1.534) 12.705 5.981 ( 9.341 1.281 -7.135) 11.823 6.266 ( -5.293 0.714 -6.420) 8.352 6.859 ( -6.881 -4.819 3.358) 9.047 7.535 ( -3.467 1.309 4.432) 5.777 7.741 ( 1.389 7.059 6.147) 9.463 8.066 ( -5.043 13.310 -9.430) 17.074 8.986 ( -0.802 -2.116 0.085) 2.265 9.570 ( -1.629 1.567 3.084) 3.824 9.752 ( 1.201 -4.653 -2.865) 5.595 10.538 ( -3.525 -7.362 -5.689) 9.950 11.528 ( 13.589 -19.129 11.724) 26.231 12.149 ( -2.308 5.964 5.954) 8.737 12.305 ( -3.011 -12.200 -3.235) 12.976 12.735 ( -4.041 8.089 -8.203) 12.209 12.819 ( 2.893 0.099 -3.631) 4.643 13.852 ( -15.219 7.324 6.305) 18.028 14.176 ( -9.948 -1.742 -7.654) 12.672 14.330 ( 4.218 -1.899 -3.313) 5.690 14.793 ( 12.828 8.946 -0.628) 15.652 14.916 ( 2.824 16.879 5.385) 17.941 15.540 ( -12.596 15.961 -37.322) 42.502 17.511 ( 1.556 -3.643 6.556) 7.659 18.554 ( -0.532 0.493 2.382) 2.490 19.358 ( -3.032 -0.340 2.966) 4.255 20.400 ( -14.691 -12.903 4.956) 20.171 20.816 ( -21.750 14.740 23.753) 35.420 21.192 ( -5.955 -9.576 -2.090) 11.469 22.462 ( 29.767 -16.247 -20.026) 39.384 23.428 ( -10.289 4.884 -4.852) 12.380 23.844 ( 6.879 5.588 -1.795) 9.043 ======================= Grid point 13 (9/312) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 31.177 18.720 -0.437) 36.368 2.183 ( 39.081 19.637 2.788) 43.825 3.636 ( 62.496 35.031 14.259) 73.050 4.737 ( 3.423 3.603 0.631) 5.010 5.357 ( -4.669 -0.935 5.366) 7.174 5.562 ( -9.078 11.659 -5.630) 15.813 5.964 ( -12.776 -4.143 -3.863) 13.975 6.373 ( 20.689 10.506 -9.407) 25.038 6.717 ( -8.315 -7.121 7.739) 13.407 7.500 ( -2.209 2.463 4.069) 5.244 7.675 ( -6.184 1.048 -0.576) 6.299 8.130 ( 8.391 13.215 0.686) 15.669 8.921 ( -6.373 -1.645 -1.496) 6.750 9.488 ( -8.385 8.343 4.121) 12.526 9.775 ( 3.454 -6.890 -3.602) 8.507 10.412 ( -6.065 -5.977 -9.877) 13.041 11.747 ( 4.205 -16.310 9.771) 19.473 12.114 ( -3.712 -2.133 1.107) 4.422 12.248 ( -1.446 -5.168 3.027) 6.162 12.636 ( -2.161 2.464 -5.487) 6.391 12.828 ( -0.955 0.421 -5.780) 5.874 13.697 ( -3.068 13.652 2.709) 14.252 13.888 ( -12.153 4.365 -5.438) 14.012 14.514 ( 13.400 -0.499 -4.945) 14.292 14.934 ( 2.270 12.424 -9.464) 15.782 15.094 ( 10.279 12.062 9.149) 18.300 15.314 ( 0.457 7.161 -23.310) 24.390 17.537 ( -0.787 -3.710 6.580) 7.595 18.526 ( -3.070 2.438 2.507) 4.653 19.273 ( -7.240 -0.748 4.808) 8.723 20.130 ( -13.430 -13.082 -3.540) 19.080 20.574 ( -10.371 6.582 18.937) 22.572 21.025 ( -9.821 -10.070 -0.705) 14.084 22.817 ( 14.287 -13.395 -15.135) 24.751 23.276 ( -3.861 4.251 -3.615) 6.786 23.995 ( 7.721 3.770 2.161) 8.859 ======================= Grid point 14 (10/312) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 32.810 13.160 -0.703) 35.357 2.968 ( 37.720 10.933 3.101) 39.395 4.546 ( -0.867 10.752 0.072) 10.787 5.020 ( 43.989 17.160 9.252) 48.116 5.292 ( -4.102 -4.168 6.435) 8.695 5.430 ( 0.216 5.428 -5.324) 7.607 5.636 ( -15.631 0.726 -4.245) 16.213 6.600 ( -6.354 -8.320 11.078) 15.242 6.825 ( 25.567 9.131 -7.195) 28.086 7.442 ( -5.480 10.399 1.624) 11.866 7.577 ( -2.379 -15.481 1.875) 15.775 8.292 ( 6.786 16.728 -0.244) 18.054 8.695 ( -15.500 0.279 -3.217) 15.833 9.268 ( -14.545 8.832 1.588) 17.091 9.860 ( 5.525 -6.596 -2.476) 8.954 10.246 ( -6.334 -4.403 -9.998) 12.628 11.818 ( 1.654 -7.970 4.838) 9.469 11.996 ( -5.928 -2.353 -5.597) 8.486 12.260 ( -1.188 2.097 13.047) 13.268 12.624 ( 1.763 -4.361 -2.848) 5.498 12.742 ( -5.531 3.261 -3.947) 7.538 13.499 ( -13.018 -1.732 -8.511) 15.650 13.903 ( 10.173 16.244 5.794) 20.023 14.777 ( 11.202 3.018 -7.484) 13.806 14.912 ( 1.753 10.835 -8.712) 14.013 15.136 ( -0.712 3.534 -12.306) 12.823 15.490 ( 13.647 7.733 7.055) 17.200 17.542 ( -0.603 -4.737 5.574) 7.339 18.455 ( -4.480 3.541 2.113) 6.088 19.082 ( -13.515 -3.235 4.634) 14.649 19.868 ( -9.605 -5.565 -5.834) 12.540 20.505 ( -3.094 -1.029 11.727) 12.171 20.818 ( -10.180 -10.419 0.603) 14.580 22.985 ( 7.745 -10.915 -10.628) 17.090 23.222 ( -1.188 2.342 -1.132) 2.860 24.148 ( 6.322 0.548 2.387) 6.780 ======================= Grid point 15 (11/312) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 29.500 10.440 0.221) 31.293 3.694 ( 32.704 5.107 3.731) 33.310 4.242 ( -20.297 12.907 -2.675) 24.202 5.040 ( -21.218 -4.121 -2.313) 21.738 5.321 ( -0.820 -9.745 -2.006) 9.983 5.490 ( 1.765 12.098 -3.354) 12.678 6.102 ( 41.440 7.259 12.411) 43.864 6.545 ( -2.433 -8.877 8.511) 12.536 7.232 ( 4.770 6.463 -5.075) 9.502 7.362 ( 8.071 3.954 2.896) 9.443 7.611 ( 5.246 -11.678 2.000) 12.957 8.298 ( -21.386 4.278 -4.375) 22.244 8.398 ( 4.967 18.527 -2.934) 19.404 8.924 ( -19.192 9.364 -0.237) 21.356 9.957 ( 4.365 -6.749 -1.651) 8.206 10.111 ( -4.059 -3.272 -5.409) 7.513 11.859 ( -0.076 -5.128 -1.617) 5.378 11.886 ( -1.768 -0.936 -0.045) 2.001 12.296 ( 0.581 8.773 13.025) 15.715 12.594 ( -5.328 6.648 -10.298) 13.365 12.659 ( 0.324 -7.195 3.660) 8.079 13.246 ( -8.580 -2.867 -5.788) 10.740 14.178 ( 13.363 11.823 7.687) 19.428 14.722 ( -6.782 13.776 -11.107) 18.951 15.052 ( 4.435 -2.908 -12.571) 13.644 15.129 ( 5.863 6.367 2.951) 9.144 15.755 ( 9.318 6.106 5.421) 12.390 17.556 ( 0.445 -6.702 3.233) 7.455 18.381 ( -2.819 5.123 1.035) 5.939 18.805 ( -13.470 -6.457 2.298) 15.113 19.724 ( -3.504 0.223 -3.122) 4.698 20.502 ( -0.315 -4.178 3.843) 5.686 20.648 ( -6.673 -10.836 2.024) 12.885 23.069 ( 3.684 -10.752 -5.781) 12.751 23.207 ( -0.388 1.711 0.232) 1.769 24.254 ( 3.412 -1.635 1.275) 3.993 ======================= Grid point 16 (12/312) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -0.000 7.350 0.000) 7.350 3.909 ( 0.000 14.700 0.000) 14.700 4.186 ( -0.000 6.073 0.000) 6.073 4.674 ( 0.000 -4.815 0.000) 4.815 5.313 ( 0.000 -11.388 0.000) 11.388 5.512 ( 0.000 11.806 -0.000) 11.806 6.516 ( 0.000 -10.311 0.000) 10.311 6.655 ( -0.000 0.258 -0.000) 0.258 7.143 ( 0.000 -3.542 -0.000) 3.542 7.604 ( 0.000 17.346 -0.000) 17.346 7.695 ( -0.000 -9.207 0.000) 9.207 7.977 ( 0.000 2.504 -0.000) 2.504 8.507 ( -0.000 14.029 0.000) 14.029 8.616 ( 0.000 14.880 -0.000) 14.880 10.005 ( 0.000 -7.751 0.000) 7.751 10.055 ( 0.000 -2.121 -0.000) 2.121 11.827 ( 0.000 1.021 -0.000) 1.021 11.898 ( 0.000 -6.614 -0.000) 6.614 12.351 ( 0.000 14.059 -0.000) 14.059 12.492 ( 0.000 5.637 -0.000) 5.637 12.670 ( 0.000 -7.410 -0.000) 7.410 13.146 ( 0.000 -3.444 0.000) 3.444 14.405 ( -0.000 4.074 -0.000) 4.074 14.557 ( 0.000 20.824 0.000) 20.824 15.051 ( 0.000 -1.728 0.000) 1.728 15.225 ( 0.000 4.640 -0.000) 4.640 15.863 ( 0.000 5.461 -0.000) 5.461 17.570 ( 0.000 -8.005 -0.000) 8.005 18.360 ( 0.000 7.492 0.000) 7.492 18.652 ( 0.000 -8.930 -0.000) 8.930 19.687 ( 0.000 1.989 0.000) 1.989 20.508 ( 0.000 -5.076 0.000) 5.076 20.582 ( 0.000 -10.878 -0.000) 10.878 23.095 ( 0.000 -11.161 0.000) 11.161 23.204 ( 0.000 1.826 0.000) 1.826 24.291 ( 0.000 -2.373 -0.000) 2.373 ======================= Grid point 22 (13/312) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 38.317 0.000) 38.317 1.926 ( 0.000 47.283 0.000) 47.283 3.425 ( 0.000 81.456 0.000) 81.456 4.609 ( 0.000 -2.285 0.000) 2.285 5.715 ( 0.000 -2.279 0.000) 2.279 5.830 ( 0.000 20.198 0.000) 20.198 6.052 ( 0.000 7.177 0.000) 7.177 6.343 ( 0.000 5.010 0.000) 5.010 6.831 ( 0.000 -6.270 0.000) 6.270 7.651 ( 0.000 2.505 0.000) 2.505 7.812 ( 0.000 9.336 0.000) 9.336 8.297 ( 0.000 2.718 0.000) 2.718 8.916 ( 0.000 -5.059 0.000) 5.059 9.365 ( 0.000 -15.564 0.000) 15.564 9.708 ( 0.000 -1.321 0.000) 1.321 10.355 ( 0.000 -15.147 0.000) 15.147 11.309 ( 0.000 0.352 0.000) 0.352 12.048 ( 0.000 -15.170 0.000) 15.170 12.350 ( 0.000 10.193 0.000) 10.193 12.819 ( 0.000 3.854 0.000) 3.854 13.013 ( 0.000 11.409 0.000) 11.409 13.849 ( 0.000 -14.146 0.000) 14.146 13.982 ( 0.000 -4.557 0.000) 4.557 14.485 ( 0.000 -0.177 0.000) 0.177 14.808 ( 0.000 10.772 0.000) 10.772 15.133 ( 0.000 11.874 0.000) 11.874 15.837 ( 0.000 -3.158 0.000) 3.158 17.456 ( 0.000 -0.361 0.000) 0.361 18.557 ( 0.000 2.063 0.000) 2.063 19.361 ( 0.000 -1.977 0.000) 1.977 20.207 ( 0.000 -20.316 0.000) 20.316 20.844 ( 0.000 -22.668 0.000) 22.668 21.498 ( 0.000 9.058 0.000) 9.058 22.065 ( 0.000 9.857 0.000) 9.857 23.630 ( 0.000 -0.211 0.000) 0.211 23.768 ( 0.000 1.146 0.000) 1.146 ======================= Grid point 23 (14/312) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 14.877 35.504 3.482) 38.652 2.134 ( 19.563 39.968 3.688) 44.652 3.741 ( 29.186 71.347 5.319) 77.269 4.667 ( 5.223 -1.416 1.288) 5.563 5.508 ( -11.460 1.920 2.879) 11.971 5.973 ( 2.023 -2.278 -2.803) 4.139 6.056 ( -3.113 20.226 2.401) 20.605 6.354 ( 8.296 10.080 -9.718) 16.275 6.727 ( -9.434 -8.086 1.285) 12.491 7.508 ( -7.338 -1.398 -0.832) 7.516 7.985 ( 5.589 14.704 13.259) 20.573 8.227 ( -1.978 4.669 -5.952) 7.819 8.913 ( -0.689 -5.259 0.063) 5.304 9.440 ( 6.283 -14.779 -1.394) 16.119 9.705 ( -1.482 -0.975 1.365) 2.238 10.324 ( -2.280 -14.170 -4.462) 15.030 11.348 ( 3.788 -3.486 3.509) 6.230 12.032 ( -1.186 -14.716 -3.096) 15.085 12.326 ( -2.228 10.944 3.542) 11.717 12.837 ( 2.493 3.591 -9.039) 10.041 12.921 ( -7.538 9.089 -2.218) 12.014 13.823 ( -1.725 -4.759 7.473) 9.026 14.087 ( 6.494 -6.408 -13.192) 16.039 14.285 ( -8.948 -0.911 -2.093) 9.235 15.009 ( 13.708 10.876 -0.557) 17.507 15.197 ( 5.558 11.865 0.464) 13.111 15.728 ( -8.599 4.993 -5.036) 11.146 17.464 ( -0.485 -1.969 5.118) 5.505 18.565 ( -0.049 1.487 2.896) 3.256 19.338 ( -2.983 -1.978 2.436) 4.329 20.068 ( -11.751 -18.578 -1.299) 22.021 20.765 ( -8.886 -20.021 8.274) 23.415 21.230 ( -17.884 13.923 2.740) 22.830 22.325 ( 18.642 -1.655 -12.097) 22.284 23.477 ( -9.065 1.695 0.404) 9.231 23.899 ( 7.874 0.550 -1.841) 8.105 ======================= Grid point 24 (15/312) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 21.819 30.465 3.424) 37.629 2.649 ( 28.411 26.760 3.411) 39.179 4.499 ( 36.981 44.296 5.962) 58.011 4.817 ( 11.087 7.093 6.074) 14.495 5.331 ( -7.016 -1.693 4.354) 8.429 5.801 ( -15.572 1.431 -8.732) 17.910 5.946 ( -5.408 13.551 -2.087) 14.739 6.516 ( -8.512 -10.737 4.389) 14.388 6.639 ( 15.407 13.630 -0.740) 20.584 7.409 ( -2.200 -4.483 -1.049) 5.103 7.914 ( -10.416 15.729 1.399) 18.917 8.369 ( 11.736 10.913 3.967) 16.510 8.862 ( -5.043 -4.570 -0.551) 6.828 9.552 ( 3.198 -15.275 -6.400) 16.868 9.635 ( -3.931 3.975 2.851) 6.275 10.236 ( -4.121 -11.547 -7.690) 14.472 11.481 ( 6.899 -8.758 6.125) 12.721 11.984 ( -2.098 -10.757 -3.443) 11.487 12.323 ( 1.081 10.042 4.801) 11.183 12.714 ( -8.267 5.311 -8.675) 13.107 12.866 ( 0.770 3.219 -4.675) 5.728 13.777 ( -11.613 -0.205 -3.832) 12.231 13.959 ( 0.959 1.494 0.471) 1.837 14.444 ( 16.766 -4.517 -7.214) 18.803 15.196 ( 5.366 13.994 -9.572) 17.783 15.384 ( 11.632 7.917 1.607) 14.162 15.529 ( -8.129 17.509 0.958) 19.328 17.460 ( -2.004 -3.985 6.475) 7.863 18.559 ( -2.010 1.429 3.728) 4.470 19.237 ( -9.032 -3.166 4.309) 10.496 19.820 ( -10.231 -17.149 -4.346) 20.436 20.588 ( -11.417 -14.698 14.922) 23.855 20.915 ( -13.523 8.690 -3.617) 16.476 22.593 ( 12.062 -9.856 -12.611) 20.042 23.334 ( -5.148 2.532 0.346) 5.747 24.032 ( 5.706 -0.455 0.209) 5.727 ======================= Grid point 25 (16/312) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 26.573 22.710 3.221) 35.104 3.247 ( 29.713 16.804 2.381) 34.218 4.745 ( -2.883 6.320 0.411) 6.958 5.162 ( -4.659 -3.835 4.345) 7.436 5.408 ( -17.907 -2.036 -10.652) 20.934 5.575 ( 37.630 28.651 13.766) 49.258 5.826 ( -3.714 17.631 -4.750) 18.634 6.373 ( -7.128 -14.124 9.453) 18.429 6.975 ( 15.688 2.784 5.649) 16.904 7.403 ( 2.386 1.940 -6.139) 6.866 7.717 ( -7.575 16.437 0.909) 18.122 8.589 ( 7.204 11.863 -3.041) 14.208 8.699 ( -9.552 1.013 2.343) 9.887 9.387 ( -12.464 -1.012 -5.258) 13.566 9.701 ( 5.134 -7.384 -1.735) 9.159 10.118 ( -4.558 -8.337 -7.285) 11.973 11.624 ( 4.968 -8.753 4.172) 10.895 11.936 ( -1.565 -4.200 -2.233) 5.008 12.402 ( 4.409 8.827 6.281) 11.697 12.554 ( -5.227 -0.517 -1.774) 5.544 12.844 ( -0.922 5.910 -7.195) 9.357 13.454 ( -15.143 -2.336 -6.641) 16.699 14.117 ( 10.524 6.062 3.398) 12.612 14.769 ( 17.192 -1.811 -8.607) 19.311 15.210 ( 0.030 16.849 -10.427) 19.814 15.339 ( -5.257 13.004 -4.182) 14.637 15.693 ( 11.785 13.847 10.246) 20.872 17.434 ( -2.527 -5.847 5.714) 8.557 18.506 ( -4.110 1.400 2.543) 5.032 18.996 ( -15.705 -4.976 3.776) 16.901 19.662 ( -3.922 -15.056 -5.358) 16.455 20.445 ( -8.321 -15.810 14.730) 23.155 20.664 ( -9.392 6.908 -4.989) 12.682 22.729 ( 6.069 -14.563 -10.222) 18.799 23.268 ( -1.910 2.647 0.872) 3.379 24.130 ( 3.759 -2.863 1.211) 4.878 ======================= Grid point 26 (17/312) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 24.839 16.062 2.629) 29.697 3.835 ( 27.229 9.016 3.033) 28.843 4.561 ( -13.412 16.112 -3.197) 21.206 4.944 ( -19.970 -4.661 0.517) 20.513 5.087 ( -6.400 -11.413 -2.939) 13.411 5.793 ( 1.222 17.056 -4.671) 17.727 6.238 ( 8.083 -3.867 13.652) 16.330 6.353 ( 13.441 -1.916 2.692) 13.841 7.219 ( 2.037 -4.873 6.480) 8.360 7.477 ( 10.514 14.310 -4.424) 18.300 7.719 ( 8.020 14.298 3.517) 16.767 8.378 ( -16.469 4.437 -3.607) 17.433 8.749 ( 4.995 15.536 -6.185) 17.452 9.081 ( -15.436 3.930 -1.198) 15.974 9.779 ( 3.164 -10.088 -2.190) 10.797 10.023 ( -2.702 -5.593 -3.582) 7.171 11.706 ( 2.418 -7.330 1.073) 7.793 11.905 ( -1.001 1.515 -0.803) 1.985 12.484 ( -0.223 -9.427 -1.542) 9.555 12.534 ( 4.123 12.875 10.289) 16.989 12.782 ( -2.699 10.834 -7.125) 13.244 13.171 ( -10.287 -3.701 -4.594) 11.859 14.351 ( 10.329 5.171 3.279) 12.008 15.010 ( 8.763 4.263 -10.573) 14.379 15.125 ( -4.634 19.850 -5.632) 21.147 15.300 ( 1.760 9.937 1.631) 10.223 15.926 ( 7.926 11.505 5.777) 15.118 17.406 ( -1.733 -7.974 3.529) 8.891 18.438 ( -2.226 -1.511 0.038) 2.691 18.692 ( -14.169 -2.131 2.726) 14.585 19.605 ( -0.736 -14.071 -3.407) 14.497 20.334 ( -6.311 -19.727 6.415) 21.683 20.534 ( -2.750 8.808 -0.617) 9.248 22.781 ( 2.304 -17.572 -5.636) 18.597 23.251 ( -0.391 2.673 0.695) 2.790 24.190 ( 1.860 -5.080 0.878) 5.480 ======================= Grid point 27 (18/312) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 0.000 11.547 -0.000) 11.547 4.190 ( 0.000 9.770 0.000) 9.770 4.446 ( 0.000 21.673 0.000) 21.673 4.559 ( 0.000 -5.910 0.000) 5.910 5.031 ( 0.000 -15.428 0.000) 15.428 5.802 ( 0.000 15.934 0.000) 15.934 6.258 ( 0.000 -14.692 0.000) 14.692 6.582 ( -0.000 -8.459 -0.000) 8.459 7.206 ( 0.000 10.242 -0.000) 10.242 7.648 ( 0.000 6.101 0.000) 6.101 7.982 ( -0.000 20.034 -0.000) 20.034 8.041 ( 0.000 3.499 0.000) 3.499 8.778 ( 0.000 10.691 0.000) 10.691 8.890 ( 0.000 11.481 -0.000) 11.481 9.807 ( 0.000 -11.102 0.000) 11.102 9.990 ( 0.000 -4.489 0.000) 4.489 11.732 ( 0.000 -6.816 -0.000) 6.816 11.893 ( 0.000 3.552 -0.000) 3.552 12.478 ( 0.000 -11.339 -0.000) 11.339 12.641 ( 0.000 8.908 0.000) 8.908 12.703 ( 0.000 18.805 -0.000) 18.805 13.051 ( 0.000 -5.388 0.000) 5.388 14.480 ( 0.000 2.622 0.000) 2.622 15.039 ( 0.000 25.198 -0.000) 25.198 15.077 ( -0.000 6.462 0.000) 6.462 15.343 ( 0.000 6.105 -0.000) 6.105 16.021 ( 0.000 10.741 -0.000) 10.741 17.394 ( 0.000 -9.163 0.000) 9.163 18.438 ( 0.000 -11.284 -0.000) 11.284 18.519 ( -0.000 7.978 0.000) 7.978 19.594 ( 0.000 -13.863 0.000) 13.863 20.275 ( 0.000 -19.651 0.000) 19.651 20.512 ( 0.000 8.123 -0.000) 8.123 22.793 ( 0.000 -18.653 0.000) 18.653 23.249 ( 0.000 2.670 0.000) 2.670 24.210 ( 0.000 -5.936 -0.000) 5.936 ======================= Grid point 33 (19/312) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 0.000 36.660 0.000) 36.660 2.837 ( 0.000 44.729 0.000) 44.729 4.465 ( 0.000 -12.163 0.000) 12.163 4.927 ( 0.000 67.791 0.000) 67.791 5.543 ( 0.000 -16.014 0.000) 16.014 6.152 ( 0.000 7.345 0.000) 7.345 6.297 ( 0.000 26.218 0.000) 26.218 6.656 ( 0.000 24.433 0.000) 24.433 6.681 ( 0.000 -8.854 0.000) 8.854 7.747 ( 0.000 5.367 0.000) 5.367 7.916 ( 0.000 0.109 0.000) 0.109 8.372 ( 0.000 5.162 0.000) 5.162 8.812 ( 0.000 -4.049 0.000) 4.049 9.018 ( 0.000 -18.552 0.000) 18.552 9.558 ( 0.000 -15.437 0.000) 15.437 10.000 ( 0.000 -20.076 0.000) 20.076 11.305 ( 0.000 -0.528 0.000) 0.528 11.748 ( 0.000 -14.449 0.000) 14.449 12.570 ( 0.000 11.350 0.000) 11.350 12.925 ( 0.000 5.678 0.000) 5.678 13.257 ( 0.000 13.204 0.000) 13.204 13.634 ( 0.000 -7.125 0.000) 7.125 13.907 ( 0.000 -3.333 0.000) 3.333 14.430 ( 0.000 -6.143 0.000) 6.143 15.000 ( 0.000 8.723 0.000) 8.723 15.328 ( 0.000 6.574 0.000) 6.574 15.873 ( 0.000 9.449 0.000) 9.449 17.405 ( 0.000 -5.559 0.000) 5.559 18.641 ( 0.000 6.509 0.000) 6.509 19.295 ( 0.000 -4.867 0.000) 4.867 19.837 ( 0.000 -16.184 0.000) 16.184 20.345 ( 0.000 -26.505 0.000) 26.505 21.700 ( 0.000 11.012 0.000) 11.012 22.204 ( 0.000 3.843 0.000) 3.843 23.635 ( 0.000 0.904 0.000) 0.904 23.779 ( 0.000 -0.172 0.000) 0.172 ======================= Grid point 34 (20/312) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 12.303 34.881 3.211) 37.127 2.944 ( 9.666 41.134 3.141) 42.371 4.534 ( 6.157 -10.973 1.612) 12.685 5.094 ( 15.176 59.817 4.456) 61.873 5.456 ( -9.220 -9.382 5.081) 14.101 5.928 ( -8.850 2.815 -4.533) 10.334 6.505 ( -7.116 11.831 -6.093) 15.091 6.561 ( -4.432 5.775 8.374) 11.095 6.692 ( 11.984 21.643 -4.705) 25.183 7.515 ( -10.420 1.362 -4.242) 11.332 8.213 ( 15.598 2.040 7.285) 17.336 8.329 ( -3.376 11.037 1.339) 11.620 8.786 ( -2.220 -7.269 1.025) 7.669 9.100 ( 7.390 -17.387 -5.366) 19.640 9.569 ( 0.327 -14.671 1.750) 14.778 9.995 ( -0.116 -18.427 -2.311) 18.572 11.311 ( 1.200 -0.820 0.688) 1.608 11.746 ( 0.408 -13.608 -2.088) 13.773 12.551 ( -1.572 11.203 0.298) 11.316 12.928 ( 1.096 4.591 -5.352) 7.136 13.119 ( -10.207 10.789 -7.964) 16.853 13.746 ( 6.828 -1.707 7.800) 10.506 13.964 ( 5.336 -6.185 -10.884) 13.608 14.257 ( -9.450 -2.844 0.259) 9.872 15.184 ( 13.707 6.878 0.469) 15.343 15.404 ( 6.583 8.087 -0.209) 10.430 15.860 ( -1.592 11.771 3.462) 12.373 17.395 ( -1.516 -5.930 2.800) 6.730 18.638 ( -0.700 6.167 2.071) 6.543 19.270 ( -3.336 -4.969 2.327) 6.422 19.721 ( -10.059 -15.421 -2.158) 18.538 20.284 ( -6.202 -26.494 2.853) 27.360 21.525 ( -14.438 15.011 1.238) 20.864 22.299 ( 7.925 -2.208 -8.040) 11.503 23.521 ( -7.543 3.047 1.902) 8.355 23.880 ( 6.169 -2.387 -0.559) 6.638 ======================= Grid point 35 (21/312) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 16.829 32.589 4.012) 36.896 3.224 ( 16.508 30.837 4.328) 35.245 4.685 ( 6.620 -7.497 2.870) 10.405 5.202 ( -10.463 -4.349 4.165) 12.072 5.550 ( 14.731 23.801 3.116) 28.164 5.785 ( -0.539 15.056 0.451) 15.072 6.229 ( -12.277 -8.345 -4.331) 15.463 6.435 ( -8.426 23.094 1.963) 24.661 6.937 ( 5.418 15.610 8.011) 18.363 7.425 ( 5.443 6.809 -7.261) 11.346 8.192 ( -6.641 10.739 -4.173) 13.298 8.572 ( 14.009 10.042 8.830) 19.367 8.731 ( -4.145 -9.209 2.523) 10.409 9.213 ( 5.329 -16.718 -10.147) 20.270 9.569 ( -0.511 -11.715 -0.094) 11.726 9.975 ( -0.916 -14.306 -3.870) 14.849 11.382 ( 5.222 -2.086 2.913) 6.333 11.763 ( 2.114 -10.862 -0.917) 11.104 12.529 ( -0.233 9.679 -2.026) 9.892 12.849 ( -10.312 8.359 -12.639) 18.329 12.932 ( -0.296 2.472 -4.233) 4.911 13.748 ( -14.800 -3.419 -4.894) 15.959 13.968 ( 9.422 0.852 3.931) 10.245 14.389 ( 17.100 -1.118 -1.078) 17.170 15.423 ( 9.024 6.738 -4.401) 12.091 15.542 ( 6.723 11.029 -6.251) 14.350 15.868 ( 1.454 17.167 11.512) 20.721 17.362 ( -3.080 -6.687 4.414) 8.585 18.619 ( -2.498 5.275 2.967) 6.548 19.146 ( -10.926 -5.746 4.639) 13.187 19.494 ( -9.638 -14.966 -4.623) 18.391 20.142 ( -8.656 -26.462 5.275) 28.337 21.219 ( -14.928 18.174 -0.669) 23.529 22.398 ( 4.682 -10.380 -10.103) 15.223 23.401 ( -4.928 4.540 2.176) 7.045 23.978 ( 3.564 -4.816 0.661) 6.028 ======================= Grid point 36 (22/312) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 18.011 26.659 4.688) 32.512 3.618 ( 20.925 20.241 3.172) 29.285 4.736 ( -3.806 -5.574 3.953) 7.822 5.064 ( -4.471 -8.189 2.952) 9.786 5.362 ( -16.388 -0.921 -10.719) 19.604 5.988 ( -5.231 -11.581 0.998) 12.746 6.210 ( 13.741 21.006 12.599) 28.086 6.284 ( -4.554 23.900 -0.062) 24.330 7.038 ( 6.763 9.814 11.181) 16.343 7.618 ( 12.895 15.823 -7.255) 21.663 8.045 ( -5.996 15.390 -2.146) 16.656 8.616 ( -6.626 -5.489 -2.115) 8.861 8.845 ( 9.188 8.219 7.801) 14.588 9.199 ( -2.848 -12.776 -14.308) 19.392 9.570 ( 1.418 -9.042 -2.045) 9.378 9.934 ( -1.681 -9.894 -3.071) 10.496 11.513 ( 5.825 -2.554 2.988) 7.027 11.830 ( 4.182 -6.305 2.107) 7.853 12.467 ( -5.386 1.045 -11.097) 12.379 12.701 ( -0.465 11.674 3.840) 12.299 12.903 ( -0.065 -1.492 -12.069) 12.161 13.428 ( -14.120 -0.657 -1.203) 14.187 14.206 ( 11.495 4.523 4.351) 13.096 14.763 ( 19.253 0.552 -1.221) 19.299 15.511 ( 1.981 10.071 -5.810) 11.794 15.576 ( 0.712 15.594 -10.042) 18.561 16.024 ( 7.968 17.824 13.293) 23.620 17.306 ( -3.915 -7.517 4.654) 9.670 18.536 ( -7.118 2.366 1.072) 7.577 18.905 ( -12.623 -3.729 5.007) 14.082 19.323 ( -6.233 -17.789 -4.070) 19.284 19.997 ( -7.467 -26.050 5.202) 27.594 20.960 ( -9.996 18.972 -0.773) 21.458 22.419 ( 1.172 -16.607 -8.926) 18.890 23.339 ( -2.163 4.743 1.926) 5.557 24.030 ( 1.432 -7.111 1.262) 7.362 ======================= Grid point 37 (23/312) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( 16.660 16.412 4.157) 23.753 4.048 ( 19.715 12.127 2.797) 23.315 4.624 ( -6.920 -8.196 1.284) 10.803 4.867 ( -14.539 -4.264 -4.558) 15.823 5.092 ( -8.062 10.385 -1.311) 13.212 5.872 ( -5.061 -16.802 0.927) 17.572 6.214 ( 1.066 15.032 -2.294) 15.244 6.403 ( -0.622 3.290 9.613) 10.180 7.344 ( 15.075 16.512 9.161) 24.163 7.809 ( 7.576 17.675 -5.699) 20.056 7.997 ( 2.718 12.404 3.617) 13.203 8.456 ( -8.182 2.021 -1.150) 8.506 8.990 ( 3.220 8.356 -5.841) 10.691 9.027 ( -7.520 -7.818 -6.423) 12.606 9.604 ( 2.078 -7.279 -1.112) 7.652 9.897 ( -1.101 -6.905 -1.310) 7.114 11.612 ( 3.137 -1.863 1.182) 3.835 11.928 ( 4.081 0.119 3.616) 5.454 12.313 ( -5.033 -6.475 -7.933) 11.410 12.770 ( 3.541 10.818 4.674) 12.305 12.849 ( -0.950 -5.952 -10.077) 11.742 13.202 ( -8.185 6.331 1.196) 10.417 14.427 ( 8.423 4.282 2.901) 9.884 15.113 ( 15.188 3.922 -0.435) 15.692 15.469 ( -3.933 12.105 -2.214) 12.919 15.554 ( 0.424 18.924 -8.544) 20.767 16.212 ( 6.156 16.561 7.532) 19.206 17.246 ( -3.195 -8.373 3.349) 9.567 18.360 ( -8.537 -3.623 -1.278) 9.362 18.728 ( -6.629 3.998 4.093) 8.757 19.217 ( -3.037 -22.863 -2.341) 23.182 19.883 ( -5.057 -24.898 2.699) 25.550 20.824 ( -3.773 18.348 0.192) 18.733 22.399 ( -0.243 -20.503 -5.215) 21.157 23.318 ( -0.642 4.404 1.106) 4.586 24.051 ( 0.370 -8.892 0.905) 8.946 ======================= Grid point 38 (24/312) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( 0.000 9.944 -0.000) 9.944 4.319 ( 0.000 2.360 0.000) 2.360 4.495 ( 0.000 1.116 -0.000) 1.116 4.692 ( 0.000 -5.893 0.000) 5.893 4.980 ( 0.000 17.937 0.000) 17.937 5.819 ( 0.000 -17.608 0.000) 17.608 6.246 ( 0.000 16.585 -0.000) 16.585 6.386 ( -0.000 -8.033 -0.000) 8.033 7.512 ( 0.000 19.060 -0.000) 19.060 7.891 ( 0.000 15.888 0.000) 15.888 8.099 ( 0.000 2.066 -0.000) 2.066 8.334 ( 0.000 12.678 0.000) 12.678 8.875 ( 0.000 0.294 0.000) 0.294 9.036 ( 0.000 3.003 -0.000) 3.003 9.627 ( 0.000 -5.941 -0.000) 5.941 9.883 ( 0.000 -6.053 0.000) 6.053 11.645 ( 0.000 -1.513 -0.000) 1.513 11.985 ( 0.000 5.887 -0.000) 5.887 12.241 ( 0.000 -12.290 -0.000) 12.290 12.813 ( 0.000 -8.579 0.000) 8.579 12.827 ( 0.000 9.582 -0.000) 9.582 13.119 ( 0.000 11.021 0.000) 11.021 14.524 ( 0.000 3.338 0.000) 3.338 15.345 ( 0.000 20.046 -0.000) 20.046 15.351 ( -0.000 -2.031 0.000) 2.031 15.539 ( 0.000 20.385 0.000) 20.385 16.293 ( 0.000 16.021 -0.000) 16.021 17.217 ( 0.000 -8.824 0.000) 8.824 18.261 ( 0.000 -5.678 -0.000) 5.678 18.667 ( 0.000 7.057 0.000) 7.057 19.184 ( 0.000 -25.023 0.000) 25.023 19.833 ( 0.000 -24.175 -0.000) 24.175 20.791 ( 0.000 17.801 -0.000) 17.801 22.386 ( 0.000 -21.860 0.000) 21.860 23.314 ( 0.000 4.215 -0.000) 4.215 24.055 ( 0.000 -9.571 0.000) 9.571 ======================= Grid point 44 (25/312) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 0.000 33.743 0.000) 33.743 3.687 ( 0.000 41.094 0.000) 41.094 4.119 ( 0.000 -22.183 0.000) 22.183 5.094 ( 0.000 -28.380 0.000) 28.380 5.913 ( 0.000 26.835 0.000) 26.835 6.482 ( 0.000 -10.906 0.000) 10.906 6.555 ( 0.000 36.065 0.000) 36.065 6.831 ( 0.000 26.350 0.000) 26.350 7.237 ( 0.000 33.037 0.000) 33.037 7.752 ( 0.000 -5.822 0.000) 5.822 7.778 ( 0.000 -14.519 0.000) 14.519 8.515 ( 0.000 8.812 0.000) 8.812 8.649 ( 0.000 -20.213 0.000) 20.213 8.839 ( 0.000 8.901 0.000) 8.901 9.107 ( 0.000 -27.019 0.000) 27.019 9.585 ( 0.000 -21.688 0.000) 21.688 11.302 ( 0.000 0.715 0.000) 0.715 11.500 ( 0.000 -10.210 0.000) 10.210 12.778 ( 0.000 9.282 0.000) 9.282 12.989 ( 0.000 -0.043 0.000) 0.043 13.520 ( 0.000 12.120 0.000) 12.120 13.578 ( 0.000 1.016 0.000) 1.016 13.852 ( 0.000 -1.169 0.000) 1.169 14.237 ( 0.000 -12.797 0.000) 12.797 15.158 ( 0.000 7.376 0.000) 7.376 15.367 ( 0.000 -1.823 0.000) 1.823 16.245 ( 0.000 26.050 0.000) 26.050 17.205 ( 0.000 -15.405 0.000) 15.405 18.804 ( 0.000 9.541 0.000) 9.541 19.168 ( 0.000 -7.795 0.000) 7.795 19.599 ( 0.000 -7.187 0.000) 7.187 19.859 ( 0.000 -20.786 0.000) 20.786 21.918 ( 0.000 10.623 0.000) 10.623 22.213 ( 0.000 -2.783 0.000) 2.783 23.667 ( 0.000 2.214 0.000) 2.214 23.760 ( 0.000 -1.689 0.000) 1.689 ======================= Grid point 45 (26/312) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 10.120 32.501 2.836) 34.158 3.734 ( 3.705 37.696 2.388) 37.953 4.211 ( 8.194 -20.230 3.156) 22.054 5.080 ( -2.929 -25.929 4.064) 26.409 5.832 ( -8.674 14.530 -1.671) 17.005 6.274 ( -13.616 0.384 -4.557) 14.364 6.452 ( -4.323 28.678 4.339) 29.324 7.054 ( 4.527 23.705 10.555) 26.341 7.237 ( 2.509 30.373 -2.023) 30.544 7.515 ( -2.663 0.636 -10.722) 11.067 8.079 ( 11.522 -14.200 7.584) 19.797 8.539 ( 1.632 -4.107 -1.258) 4.595 8.622 ( 0.945 -1.816 -6.446) 6.764 8.914 ( 6.057 3.844 0.830) 7.222 9.142 ( 3.210 -25.246 -0.977) 25.468 9.612 ( 2.298 -20.317 1.181) 20.481 11.312 ( 1.497 1.111 -0.385) 1.903 11.512 ( 1.670 -9.740 -1.241) 9.960 12.753 ( -1.783 9.021 -2.065) 9.425 12.970 ( -0.765 -0.858 -6.025) 6.134 13.345 ( -10.736 11.983 -9.562) 18.716 13.755 ( 8.978 -1.948 0.632) 9.209 13.851 ( -0.681 -1.225 -1.659) 2.172 14.152 ( -1.828 -7.744 3.177) 8.568 15.307 ( 11.798 6.012 1.603) 13.338 15.475 ( 9.085 -0.439 3.359) 9.696 16.251 ( 0.389 26.128 1.981) 26.206 17.195 ( -1.288 -15.071 1.671) 15.218 18.799 ( -0.883 9.528 1.377) 9.667 19.147 ( -2.941 -7.179 2.589) 8.179 19.493 ( -9.608 -6.952 -1.987) 12.024 19.787 ( -6.825 -21.895 0.397) 22.937 21.809 ( -9.434 13.445 -1.388) 16.483 22.215 ( 0.381 -6.419 -5.595) 8.524 23.601 ( -4.897 4.903 2.244) 7.284 23.809 ( 2.773 -4.574 0.748) 5.401 ======================= Grid point 46 (27/312) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 14.519 30.282 3.949) 33.814 3.835 ( 5.398 29.200 4.243) 29.996 4.435 ( 11.348 -16.070 4.860) 20.264 4.972 ( -9.554 -18.367 6.220) 21.617 5.597 ( -11.739 1.444 -5.635) 13.101 5.943 ( -16.663 -12.411 -4.322) 21.222 6.513 ( 6.074 31.447 8.173) 33.055 6.952 ( -11.890 18.962 3.383) 22.635 7.256 ( 0.240 19.975 9.198) 21.992 7.693 ( 16.936 20.869 -9.108) 28.378 8.231 ( 2.217 -11.004 4.753) 12.190 8.493 ( -3.261 -12.386 -5.535) 13.953 8.742 ( 9.408 4.880 -3.133) 11.051 9.040 ( 6.065 1.508 -4.237) 7.551 9.218 ( 5.422 -19.093 -2.680) 20.028 9.671 ( 2.887 -16.664 0.502) 16.920 11.379 ( 5.119 1.519 1.580) 5.568 11.571 ( 4.565 -8.285 0.673) 9.483 12.694 ( -3.075 7.168 -8.637) 11.638 12.910 ( -1.701 -2.880 -15.928) 16.276 13.073 ( -11.624 12.458 -3.064) 17.312 13.600 ( -13.054 -11.232 -6.067) 18.258 14.051 ( 13.103 7.290 7.718) 16.864 14.349 ( 16.077 -4.226 5.264) 17.437 15.544 ( 10.659 6.725 -1.574) 12.701 15.698 ( 11.321 2.949 -1.298) 11.770 16.284 ( 1.825 25.101 6.687) 26.041 17.164 ( -2.659 -14.073 3.220) 14.680 18.766 ( -3.746 8.952 1.735) 9.858 19.041 ( -9.396 -4.045 5.581) 11.653 19.252 ( -11.993 -8.735 -3.862) 15.331 19.623 ( -8.613 -24.209 0.856) 25.709 21.578 ( -11.824 17.501 -3.009) 21.334 22.172 ( -2.313 -12.550 -7.838) 14.976 23.518 ( -3.992 7.329 2.914) 8.840 23.850 ( 0.791 -7.859 1.786) 8.098 ======================= Grid point 47 (28/312) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.634 ( 9.229 25.823 4.710) 27.824 4.011 ( 11.068 17.456 3.971) 21.047 4.588 ( -2.053 -8.323 5.488) 10.178 4.849 ( 0.155 -12.718 3.879) 13.297 5.326 ( -12.563 -1.678 -8.206) 15.099 5.650 ( -10.930 -17.297 -0.277) 20.463 6.624 ( 0.928 17.800 2.973) 18.070 6.702 ( -13.093 15.523 4.805) 20.868 7.409 ( 11.023 23.943 13.845) 29.773 7.962 ( 11.346 18.399 -5.089) 22.206 8.246 ( -0.901 -0.893 -0.579) 1.394 8.411 ( -3.392 -10.963 -0.273) 11.479 8.875 ( 5.333 -2.419 -7.930) 9.858 9.098 ( 2.234 -2.061 -10.684) 11.108 9.355 ( 8.147 -6.532 0.447) 10.452 9.721 ( 2.004 -11.989 -0.319) 12.160 11.512 ( 6.501 2.092 3.165) 7.527 11.700 ( 7.147 -6.502 4.338) 10.591 12.520 ( -8.951 4.491 -17.270) 19.963 12.795 ( -3.586 -7.453 -19.018) 20.738 12.943 ( -1.633 12.022 4.462) 12.927 13.365 ( -8.586 -6.704 1.114) 10.951 14.340 ( 12.337 9.102 6.847) 16.790 14.720 ( 17.545 -6.000 5.798) 19.428 15.710 ( 7.081 11.170 -5.479) 14.315 15.861 ( 6.245 9.443 -9.722) 14.923 16.387 ( 5.067 19.929 12.016) 23.817 17.114 ( -3.490 -12.506 4.296) 13.676 18.603 ( -13.094 4.126 0.267) 13.731 18.889 ( -5.732 2.857 5.805) 8.643 19.000 ( -12.106 -13.794 -2.295) 18.496 19.483 ( -5.534 -24.282 0.738) 24.916 21.350 ( -9.209 19.675 -2.856) 21.911 22.080 ( -3.736 -17.570 -7.307) 19.392 23.464 ( -2.430 8.013 2.559) 8.756 23.857 ( -0.591 -10.059 1.948) 10.263 ======================= Grid point 48 (29/312) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.784 ( 4.962 14.083 4.058) 15.473 4.205 ( 2.986 -2.033 2.964) 4.673 4.546 ( 2.709 7.037 2.669) 7.999 4.848 ( -5.730 2.142 -1.851) 6.392 5.153 ( -0.385 -4.817 -3.204) 5.798 5.489 ( -5.861 -19.735 1.586) 20.648 6.482 ( -7.818 13.610 -0.548) 15.705 6.601 ( -3.914 11.963 3.870) 13.169 7.718 ( 12.170 18.088 14.700) 26.294 8.100 ( 3.575 9.629 -1.727) 10.415 8.204 ( -1.385 8.757 -6.522) 11.007 8.364 ( -1.844 -11.324 2.503) 11.743 8.923 ( 2.960 -0.132 -8.118) 8.641 9.068 ( -1.207 -0.981 -8.354) 8.497 9.507 ( 5.803 -1.056 1.084) 5.997 9.750 ( 0.924 -8.145 -0.197) 8.199 11.631 ( 3.914 3.483 2.293) 5.719 11.871 ( 7.443 -5.943 7.361) 12.037 12.284 ( -8.180 3.919 -14.363) 16.987 12.654 ( -3.789 -11.500 -12.238) 17.216 12.978 ( 2.171 9.833 2.995) 10.506 13.259 ( -3.108 -1.797 1.712) 3.978 14.566 ( 7.601 9.902 4.554) 13.287 15.044 ( 11.660 -9.909 5.510) 16.264 15.786 ( 2.604 17.885 -6.644) 19.256 15.906 ( 2.627 14.365 -8.780) 17.039 16.534 ( 4.744 15.405 8.738) 18.335 17.063 ( -2.806 -10.539 3.774) 11.541 18.338 ( -10.897 1.740 -0.756) 11.061 18.768 ( -8.788 -17.998 1.324) 20.073 18.841 ( -2.135 4.730 1.638) 5.442 19.399 ( -3.142 -22.615 0.269) 22.834 21.206 ( -4.326 19.632 -1.407) 20.152 21.990 ( -2.753 -20.557 -4.435) 21.209 23.437 ( -1.081 7.781 1.459) 7.991 23.848 ( -0.729 -11.264 1.229) 11.355 ======================= Grid point 49 (30/312) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( 0.000 6.456 -0.000) 6.456 4.204 ( 0.000 -11.091 0.000) 11.091 4.636 ( 0.000 12.429 0.000) 12.429 4.742 ( 0.000 10.594 -0.000) 10.594 5.166 ( 0.000 -2.784 0.000) 2.784 5.428 ( 0.000 -20.119 0.000) 20.119 6.402 ( 0.000 10.298 0.000) 10.298 6.558 ( 0.000 11.764 -0.000) 11.764 7.896 ( -0.000 18.322 -0.000) 18.322 8.108 ( 0.000 1.020 0.000) 1.020 8.181 ( 0.000 8.935 0.000) 8.935 8.350 ( 0.000 -9.426 -0.000) 9.426 8.941 ( 0.000 6.570 0.000) 6.570 9.031 ( 0.000 -1.911 -0.000) 1.911 9.571 ( 0.000 -0.162 -0.000) 0.162 9.758 ( 0.000 -6.641 0.000) 6.641 11.675 ( 0.000 4.305 0.000) 4.305 12.005 ( 0.000 -11.302 0.000) 11.302 12.132 ( 0.000 9.068 -0.000) 9.068 12.591 ( 0.000 -12.579 0.000) 12.579 13.010 ( 0.000 8.701 -0.000) 8.701 13.233 ( 0.000 0.162 0.000) 0.162 14.654 ( 0.000 9.858 0.000) 9.858 15.179 ( 0.000 -13.020 0.000) 13.020 15.791 ( 0.000 21.867 0.000) 21.867 15.919 ( 0.000 15.828 0.000) 15.828 16.602 ( 0.000 14.204 -0.000) 14.204 17.039 ( 0.000 -9.316 0.000) 9.316 18.220 ( 0.000 1.369 -0.000) 1.369 18.676 ( 0.000 -21.307 0.000) 21.307 18.824 ( 0.000 6.162 0.000) 6.162 19.366 ( 0.000 -21.716 -0.000) 21.716 21.162 ( 0.000 19.163 -0.000) 19.163 21.953 ( 0.000 -21.512 0.000) 21.512 23.429 ( 0.000 7.582 -0.000) 7.582 23.842 ( 0.000 -11.644 0.000) 11.644 ======================= Grid point 55 (31/312) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( 0.000 -29.129 0.000) 29.129 3.608 ( 0.000 29.129 0.000) 29.129 4.452 ( 0.000 -35.984 0.000) 35.984 4.452 ( 0.000 35.984 0.000) 35.984 6.249 ( 0.000 -12.861 0.000) 12.861 6.249 ( 0.000 12.861 0.000) 12.861 7.179 ( 0.000 -9.489 0.000) 9.489 7.179 ( 0.000 9.489 0.000) 9.489 7.461 ( 0.000 -0.789 0.000) 0.789 7.461 ( 0.000 0.789 0.000) 0.789 8.072 ( 0.000 -37.272 0.000) 37.272 8.072 ( 0.000 37.272 0.000) 37.272 8.706 ( 0.000 -12.215 0.000) 12.215 8.706 ( 0.000 12.215 0.000) 12.215 9.156 ( 0.000 -20.766 0.000) 20.766 9.156 ( 0.000 20.766 0.000) 20.766 11.352 ( 0.000 -4.758 0.000) 4.758 11.352 ( 0.000 4.758 0.000) 4.758 12.928 ( 0.000 -5.647 0.000) 5.647 12.928 ( 0.000 5.647 0.000) 5.647 13.624 ( 0.000 -1.597 0.000) 1.597 13.624 ( 0.000 1.597 0.000) 1.597 13.967 ( 0.000 -12.713 0.000) 12.713 13.967 ( 0.000 12.713 0.000) 12.713 15.288 ( 0.000 -5.597 0.000) 5.597 15.288 ( 0.000 5.597 0.000) 5.597 16.787 ( 0.000 -26.122 0.000) 26.122 16.787 ( 0.000 26.122 0.000) 26.122 18.996 ( 0.000 -9.440 0.000) 9.440 18.996 ( 0.000 9.440 0.000) 9.440 19.583 ( 0.000 -6.364 0.000) 6.364 19.583 ( 0.000 6.364 0.000) 6.364 22.105 ( 0.000 -7.871 0.000) 7.871 22.105 ( 0.000 7.871 0.000) 7.871 23.716 ( 0.000 -2.553 0.000) 2.553 23.716 ( 0.000 2.553 0.000) 2.553 ======================= Grid point 57 (32/312) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( 8.087 -27.830 2.253) 29.068 3.697 ( 8.087 27.830 2.253) 29.068 4.479 ( 1.435 -33.797 3.792) 34.040 4.479 ( 1.435 33.797 3.792) 34.040 6.073 ( -15.140 -11.779 -2.711) 19.373 6.073 ( -15.140 11.779 -2.711) 19.373 7.066 ( -6.901 -21.945 4.129) 23.372 7.066 ( -6.901 21.945 4.129) 23.372 7.653 ( 10.467 -20.728 5.453) 23.853 7.653 ( 10.467 20.728 5.453) 23.853 8.067 ( 2.484 -33.288 -5.784) 33.878 8.067 ( 2.484 33.288 -5.784) 33.878 8.757 ( 5.508 -11.034 -7.868) 14.629 8.757 ( 5.508 11.034 -7.868) 14.629 9.204 ( 3.768 -19.963 5.199) 20.970 9.204 ( 3.768 19.963 5.199) 20.970 11.368 ( 2.008 -4.874 -0.816) 5.334 11.368 ( 2.008 4.874 -0.816) 5.334 12.901 ( -1.719 -5.771 -4.663) 7.616 12.901 ( -1.719 5.771 -4.663) 7.616 13.582 ( -6.422 -11.562 -8.523) 15.734 13.582 ( -6.422 11.562 -8.523) 15.734 13.975 ( 4.778 -9.242 5.514) 11.775 13.975 ( 4.778 9.242 5.514) 11.775 15.418 ( 10.724 -4.726 3.044) 12.108 15.418 ( 10.724 4.726 3.044) 12.108 16.787 ( -0.261 -25.574 1.609) 25.626 16.787 ( -0.261 25.574 1.609) 25.626 18.988 ( -1.278 -9.028 1.823) 9.298 18.988 ( -1.278 9.028 1.823) 9.298 19.487 ( -8.995 -7.409 -1.100) 11.705 19.487 ( -8.995 7.409 -1.100) 11.705 22.047 ( -4.876 -10.460 -3.609) 12.092 22.047 ( -4.876 10.460 -3.609) 12.092 23.707 ( -1.241 -5.561 1.789) 5.972 23.707 ( -1.241 5.561 1.789) 5.972 ======================= Grid point 59 (33/312) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( 10.981 -23.140 3.295) 25.824 3.912 ( 10.981 23.140 3.295) 25.824 4.513 ( 0.197 -25.481 6.633) 26.331 4.513 ( 0.197 25.481 6.633) 26.331 5.715 ( -17.553 -9.628 -4.698) 20.564 5.715 ( -17.553 9.628 -4.698) 20.564 6.962 ( -5.905 -13.364 5.240) 15.522 6.962 ( -5.905 13.364 5.240) 15.522 7.791 ( 1.707 -28.151 11.542) 30.473 7.791 ( 1.707 28.151 11.542) 30.473 8.182 ( 9.743 -23.078 -9.327) 26.730 8.182 ( 9.743 23.078 -9.327) 26.730 8.841 ( 6.138 -9.504 -12.199) 16.638 8.841 ( 6.138 9.504 -12.199) 16.638 9.328 ( 6.321 -17.028 4.802) 18.787 9.328 ( 6.321 17.028 4.802) 18.787 11.441 ( 5.391 -4.828 1.205) 7.337 11.441 ( 5.391 4.828 1.205) 7.337 12.820 ( -3.812 -5.651 -13.113) 14.778 12.820 ( -3.812 5.651 -13.113) 14.778 13.342 ( -11.484 -14.028 -4.890) 18.777 13.342 ( -11.484 14.028 -4.890) 18.777 14.217 ( 14.568 -8.455 7.690) 18.516 14.217 ( 14.568 8.455 7.690) 18.516 15.670 ( 12.723 -4.917 -0.158) 13.641 15.670 ( 12.723 4.917 -0.158) 13.641 16.788 ( -0.605 -23.645 4.032) 23.994 16.788 ( -0.605 23.645 4.032) 23.994 18.938 ( -5.862 -7.702 3.641) 10.341 18.938 ( -5.862 7.702 3.641) 10.341 19.256 ( -11.562 -11.026 -2.206) 16.128 19.256 ( -11.562 11.026 -2.206) 16.128 21.900 ( -7.655 -15.000 -5.580) 17.741 21.900 ( -7.655 15.000 -5.580) 17.741 23.681 ( -2.000 -8.808 2.724) 9.434 23.681 ( -2.000 8.808 2.724) 9.434 ======================= Grid point 61 (34/312) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( 1.573 -15.033 3.934) 15.619 4.070 ( 1.573 15.033 3.934) 15.619 4.589 ( 6.890 -11.481 6.187) 14.750 4.589 ( 6.890 11.481 6.187) 14.750 5.381 ( -13.514 -8.504 -4.840) 16.685 5.381 ( -13.514 8.504 -4.840) 16.685 6.842 ( -7.726 -2.554 3.194) 8.742 6.842 ( -7.726 2.554 3.194) 8.742 7.883 ( 3.413 -23.578 15.266) 28.296 7.883 ( 3.413 23.578 15.266) 28.296 8.299 ( 4.387 -10.744 -10.223) 15.465 8.299 ( 4.387 10.744 -10.223) 15.465 8.918 ( 5.854 -8.251 -12.074) 15.752 8.918 ( 5.854 8.251 -12.074) 15.752 9.472 ( 6.399 -12.209 2.114) 13.945 9.472 ( 6.399 12.209 2.114) 13.945 11.584 ( 7.369 -4.989 4.135) 9.812 11.584 ( 7.369 4.989 4.135) 9.812 12.640 ( -7.671 -7.406 -19.495) 22.221 12.640 ( -7.671 7.406 -19.495) 22.221 13.179 ( -4.156 -11.293 2.447) 12.280 13.179 ( -4.156 11.293 2.447) 12.280 14.544 ( 14.179 -10.677 7.699) 19.347 14.544 ( 14.179 10.677 7.699) 19.347 15.894 ( 10.298 -5.398 -6.287) 13.218 15.894 ( 10.298 5.398 -6.287) 13.218 16.796 ( -0.442 -19.562 6.971) 20.771 16.796 ( -0.442 19.562 6.971) 20.771 18.732 ( -14.789 -10.018 2.602) 18.052 18.732 ( -14.789 10.018 2.602) 18.052 19.091 ( -4.313 -14.809 -0.876) 15.449 19.091 ( -4.313 14.809 -0.876) 15.449 21.726 ( -7.234 -18.362 -5.290) 20.432 21.726 ( -7.234 18.362 -5.290) 20.432 23.650 ( -1.988 -10.420 2.554) 10.911 23.650 ( -1.988 10.420 2.554) 10.911 ======================= Grid point 63 (35/312) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( -3.916 -11.488 3.121) 12.532 4.036 ( -3.916 11.488 3.121) 12.532 4.795 ( 9.458 -11.836 3.209) 15.487 4.795 ( 9.458 11.836 3.209) 15.487 5.154 ( -7.464 -11.381 -2.932) 13.923 5.154 ( -7.464 11.381 -2.932) 13.923 6.695 ( -6.802 -4.242 1.206) 8.107 6.695 ( -6.802 4.242 1.206) 8.107 8.024 ( 4.473 -13.927 16.476) 22.032 8.024 ( 4.473 13.927 16.476) 22.032 8.285 ( -1.183 -2.611 -12.914) 13.229 8.285 ( -1.183 2.611 -12.914) 13.229 8.985 ( 4.003 -5.302 -7.183) 9.784 8.985 ( 4.003 5.302 -7.183) 9.784 9.585 ( 4.049 -7.639 0.666) 8.672 9.585 ( 4.049 7.639 0.666) 8.672 11.736 ( 5.475 -6.720 4.694) 9.857 11.736 ( 5.475 6.720 4.694) 9.857 12.433 ( -5.936 -10.158 -13.806) 18.139 12.433 ( -5.936 10.158 -13.806) 18.139 13.155 ( -0.053 -7.761 2.103) 8.041 13.155 ( -0.053 7.761 2.103) 8.041 14.801 ( 8.414 -13.162 5.629) 16.605 14.801 ( 8.414 13.162 5.629) 16.605 16.028 ( 5.537 -3.682 -7.913) 10.336 16.028 ( 5.537 3.682 -7.913) 10.336 16.822 ( 0.486 -13.671 6.641) 15.207 16.822 ( 0.486 13.671 6.641) 15.207 18.456 ( -11.552 -10.999 0.920) 15.977 18.456 ( -11.552 10.999 0.920) 15.977 19.035 ( -1.756 -13.812 0.217) 13.925 19.035 ( -1.756 13.812 0.217) 13.925 21.593 ( -4.186 -19.657 -3.130) 20.339 21.593 ( -4.186 19.657 -3.130) 20.339 23.624 ( -1.221 -10.861 1.508) 11.033 23.624 ( -1.221 10.861 1.508) 11.033 ======================= Grid point 65 (36/312) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 0.000 -8.993 0.000) 8.993 3.996 ( 0.000 8.993 -0.000) 8.993 4.908 ( 0.000 -9.585 0.000) 9.585 4.908 ( 0.000 9.585 0.000) 9.585 5.073 ( 0.000 -11.684 -0.000) 11.684 5.073 ( 0.000 11.684 0.000) 11.684 6.621 ( 0.000 -6.330 0.000) 6.330 6.621 ( 0.000 6.330 -0.000) 6.330 8.140 ( 0.000 -0.868 -0.000) 0.868 8.140 ( 0.000 0.868 0.000) 0.868 8.206 ( 0.000 -3.500 0.000) 3.500 8.206 ( 0.000 3.500 0.000) 3.500 9.015 ( 0.000 -0.481 0.000) 0.481 9.015 ( 0.000 0.481 -0.000) 0.481 9.628 ( 0.000 -5.716 0.000) 5.716 9.628 ( 0.000 5.716 0.000) 5.716 11.805 ( 0.000 -8.638 0.000) 8.638 11.805 ( 0.000 8.638 0.000) 8.638 12.343 ( 0.000 -11.998 -0.000) 11.998 12.343 ( 0.000 11.998 -0.000) 11.998 13.162 ( 0.000 -6.304 0.000) 6.304 13.162 ( 0.000 6.304 -0.000) 6.304 14.898 ( 0.000 -14.213 -0.000) 14.213 14.898 ( 0.000 14.214 0.000) 14.214 16.067 ( 0.000 -3.282 0.000) 3.282 16.067 ( 0.000 3.282 0.000) 3.282 16.843 ( 0.000 -10.624 -0.000) 10.624 16.843 ( 0.000 10.624 0.000) 10.624 18.333 ( 0.000 -11.210 -0.000) 11.210 18.333 ( 0.000 11.210 0.000) 11.210 19.017 ( 0.000 -13.228 0.000) 13.228 19.017 ( 0.000 13.228 -0.000) 13.228 21.545 ( 0.000 -19.792 -0.000) 19.792 21.545 ( 0.000 19.792 0.000) 19.792 23.614 ( 0.000 -10.894 0.000) 10.894 23.614 ( 0.000 10.894 -0.000) 10.894 ======================= Grid point 121 (37/312) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -0.138 0.000 37.482) 37.483 0.768 ( 19.003 0.000 39.302) 43.655 1.648 ( -9.743 0.000 83.605) 84.171 4.760 ( -3.960 0.000 18.407) 18.828 5.308 ( 5.625 0.000 -10.920) 12.283 5.586 ( 2.966 0.000 -5.945) 6.643 5.812 ( -9.268 0.000 -6.226) 11.165 6.319 ( -1.645 0.000 -1.747) 2.399 7.072 ( 2.017 0.000 9.640) 9.849 7.493 ( -2.329 0.000 0.745) 2.445 7.741 ( 1.253 0.000 6.198) 6.324 7.872 ( -19.253 0.000 21.075) 28.545 9.022 ( 0.039 0.000 1.212) 1.213 9.610 ( 0.874 0.000 1.803) 2.003 9.736 ( -1.197 0.000 -4.028) 4.202 10.522 ( -3.287 0.000 -13.510) 13.905 11.421 ( 33.999 0.000 0.177) 33.999 12.228 ( 11.929 0.000 8.653) 14.737 12.450 ( -5.721 0.000 7.063) 9.090 12.663 ( 1.967 0.000 6.268) 6.569 13.107 ( -1.945 0.000 -2.004) 2.793 13.486 ( -7.373 0.000 -0.204) 7.376 14.236 ( -0.627 0.000 0.382) 0.734 14.337 ( -2.541 0.000 -6.592) 7.065 14.481 ( 1.597 0.000 -6.805) 6.990 14.651 ( 1.347 0.000 1.655) 2.134 15.004 ( -68.765 0.000 3.068) 68.833 17.642 ( 2.421 0.000 6.347) 6.793 18.583 ( 1.042 0.000 3.252) 3.415 19.299 ( 4.186 0.000 -9.133) 10.047 20.756 ( -2.070 0.000 -4.150) 4.638 20.768 ( 81.050 0.000 -0.850) 81.055 21.345 ( -6.358 0.000 -1.706) 6.583 22.212 ( -60.756 0.000 5.161) 60.975 23.058 ( -3.558 0.000 -8.252) 8.986 23.635 ( 6.519 0.000 -1.077) 6.607 ======================= Grid point 122 (38/312) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 36.605 0.000 24.713) 44.166 1.375 ( 14.458 0.000 46.769) 48.953 2.391 ( 54.400 0.000 52.692) 75.735 4.789 ( 0.227 0.000 17.243) 17.245 5.368 ( 3.539 0.000 -7.636) 8.417 5.577 ( -11.496 0.000 -7.331) 13.634 5.707 ( 12.443 0.000 -8.814) 15.248 6.199 ( -9.540 0.000 -2.390) 9.834 7.090 ( -3.811 0.000 12.590) 13.154 7.440 ( -2.296 0.000 -1.560) 2.776 7.834 ( 4.389 0.000 7.723) 8.884 7.882 ( 5.166 0.000 22.890) 23.466 9.001 ( -2.962 0.000 -0.844) 3.080 9.614 ( -2.662 0.000 5.132) 5.781 9.708 ( 0.631 0.000 -7.247) 7.274 10.374 ( -5.758 0.000 -16.713) 17.677 11.930 ( 12.521 0.000 -14.006) 18.787 12.330 ( -8.578 0.000 2.020) 8.813 12.569 ( 3.548 0.000 18.125) 18.469 12.808 ( 13.317 0.000 2.889) 13.627 13.020 ( -26.492 0.000 14.256) 30.084 13.138 ( 7.188 0.000 -0.317) 7.195 14.028 ( -18.055 0.000 -10.675) 20.975 14.325 ( 3.656 0.000 4.647) 5.913 14.514 ( 8.724 0.000 -11.768) 14.649 14.535 ( 4.638 0.000 -12.653) 13.476 14.889 ( 15.312 0.000 8.580) 17.552 17.698 ( 0.442 0.000 8.277) 8.289 18.589 ( -1.642 0.000 4.174) 4.485 19.327 ( 1.294 0.000 -6.529) 6.656 20.538 ( -16.527 0.000 -7.572) 18.179 20.981 ( -22.907 0.000 2.134) 23.007 21.529 ( -15.914 0.000 20.347) 25.831 22.053 ( 46.060 0.000 -35.334) 58.052 23.015 ( 2.015 0.000 -8.737) 8.967 23.803 ( 9.483 0.000 1.250) 9.565 ======================= Grid point 123 (39/312) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 19.426 0.000 41.850) 46.139 2.176 ( 40.840 0.000 17.174) 44.304 3.742 ( 60.398 0.000 30.707) 67.756 4.851 ( -2.001 0.000 14.864) 14.998 5.339 ( -7.040 0.000 -4.881) 8.567 5.397 ( 1.618 0.000 -4.453) 4.738 5.931 ( -15.977 0.000 -2.592) 16.186 6.027 ( 22.387 0.000 -10.087) 24.554 7.024 ( -7.330 0.000 13.566) 15.420 7.391 ( -2.115 0.000 -2.249) 3.087 7.932 ( 2.534 0.000 5.777) 6.309 8.059 ( 3.749 0.000 22.465) 22.775 8.865 ( -10.207 0.000 -5.541) 11.614 9.518 ( -9.297 0.000 7.068) 11.679 9.726 ( 4.372 0.000 -9.662) 10.605 10.198 ( -5.429 0.000 -15.720) 16.631 12.013 ( 0.593 0.000 -1.195) 1.334 12.135 ( -10.041 0.000 -1.296) 10.124 12.563 ( -6.751 0.000 13.700) 15.273 12.719 ( -9.445 0.000 11.560) 14.928 12.991 ( 1.366 0.000 11.192) 11.275 13.389 ( 15.894 0.000 3.490) 16.273 13.639 ( -15.442 0.000 -12.519) 19.879 14.463 ( 10.482 0.000 -1.513) 10.591 14.542 ( 0.951 0.000 -15.488) 15.517 14.723 ( 13.100 0.000 -13.172) 18.577 15.249 ( 16.331 0.000 10.441) 19.383 17.715 ( -1.461 0.000 8.024) 8.156 18.546 ( -4.143 0.000 3.737) 5.579 19.299 ( -2.702 0.000 -3.263) 4.236 20.109 ( -20.856 0.000 -11.810) 23.967 20.641 ( -11.519 0.000 -4.495) 12.365 21.328 ( -12.147 0.000 15.527) 19.714 22.597 ( 22.637 0.000 -22.674) 32.040 23.052 ( 3.834 0.000 -6.657) 7.683 23.999 ( 9.206 0.000 0.676) 9.231 ======================= Grid point 124 (40/312) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 24.650 0.000 32.842) 41.063 3.032 ( 38.669 0.000 13.830) 41.068 4.567 ( -10.429 0.000 12.255) 16.091 4.942 ( 24.802 0.000 2.366) 24.915 5.395 ( -2.235 0.000 -1.058) 2.473 5.504 ( 28.235 0.000 17.130) 33.025 5.566 ( -17.653 0.000 -2.906) 17.891 6.505 ( 27.981 0.000 -9.711) 29.618 6.879 ( -10.838 0.000 5.162) 12.005 7.338 ( -2.298 0.000 -2.188) 3.173 7.985 ( 1.173 0.000 7.975) 8.061 8.179 ( -0.860 0.000 21.759) 21.777 8.551 ( -17.027 0.000 -8.501) 19.032 9.280 ( -17.108 0.000 6.684) 18.367 9.811 ( 7.169 0.000 -9.997) 12.302 10.071 ( -2.075 0.000 -10.774) 10.972 11.951 ( -7.383 0.000 -0.934) 7.442 11.995 ( -2.129 0.000 4.088) 4.610 12.441 ( -6.708 0.000 -3.084) 7.383 12.627 ( -6.481 0.000 18.064) 19.192 12.998 ( -4.173 0.000 15.874) 16.413 13.319 ( -10.352 0.000 -10.979) 15.090 13.784 ( 19.378 0.000 5.925) 20.264 14.465 ( -2.983 0.000 -16.667) 16.932 14.700 ( 13.274 0.000 -6.858) 14.941 14.946 ( 11.875 0.000 1.595) 11.982 15.585 ( 13.053 0.000 9.021) 15.867 17.704 ( -1.835 0.000 6.030) 6.303 18.451 ( -6.205 0.000 2.113) 6.555 19.162 ( -11.481 0.000 -0.352) 11.486 19.712 ( -11.687 0.000 -15.265) 19.225 20.448 ( -5.287 0.000 -12.732) 13.786 21.145 ( -11.099 0.000 14.592) 18.333 22.890 ( 13.759 0.000 -12.272) 18.437 23.104 ( 3.121 0.000 -4.618) 5.574 24.162 ( 6.835 0.000 -0.827) 6.885 ======================= Grid point 125 (41/312) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 24.996 0.000 26.985) 36.783 3.796 ( 31.953 0.000 11.335) 33.904 4.189 ( -23.943 0.000 9.532) 25.771 5.085 ( -22.626 0.000 2.664) 22.782 5.257 ( 9.722 0.000 -0.585) 9.740 5.441 ( 0.399 0.000 -1.477) 1.530 6.363 ( 38.626 0.000 20.368) 43.667 6.628 ( -12.325 0.000 -11.263) 16.696 7.037 ( 26.512 0.000 -6.909) 27.398 7.288 ( -1.907 0.000 -1.278) 2.296 7.909 ( -26.094 0.000 -11.428) 28.487 8.061 ( 2.494 0.000 14.335) 14.551 8.429 ( 3.337 0.000 19.506) 19.789 8.881 ( -24.473 0.000 4.644) 24.910 9.922 ( 6.872 0.000 -8.782) 11.151 10.041 ( 1.439 0.000 -4.977) 5.181 11.850 ( -2.482 0.000 1.633) 2.971 11.968 ( -1.510 0.000 0.992) 1.807 12.281 ( -7.395 0.000 -6.027) 9.539 12.574 ( -4.459 0.000 15.317) 15.953 12.964 ( -4.793 0.000 18.019) 18.645 13.154 ( -2.598 0.000 -6.184) 6.708 14.185 ( 17.082 0.000 6.181) 18.166 14.312 ( -5.845 0.000 -15.324) 16.401 14.911 ( 9.693 0.000 -4.800) 10.816 15.199 ( 9.797 0.000 11.469) 15.084 15.801 ( 5.260 0.000 5.315) 7.477 17.693 ( -0.972 0.000 3.184) 3.330 18.329 ( -5.644 0.000 -0.125) 5.645 18.871 ( -14.016 0.000 -3.162) 14.368 19.554 ( -0.631 0.000 -12.672) 12.688 20.329 ( -1.353 0.000 -18.242) 18.292 20.997 ( -8.443 0.000 13.764) 16.147 23.081 ( 8.664 0.000 -5.304) 10.159 23.141 ( 1.898 0.000 -3.362) 3.861 24.259 ( 3.325 0.000 -2.362) 4.079 ======================= Grid point 126 (42/312) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( -6.965 0.000 24.533) 25.502 3.876 ( 3.549 0.000 12.346) 12.845 4.176 ( -9.084 0.000 4.890) 10.316 4.820 ( 6.173 0.000 8.636) 10.615 5.400 ( 4.348 0.000 2.725) 5.131 5.449 ( -0.290 0.000 2.256) 2.274 6.371 ( -5.374 0.000 -22.256) 22.895 6.749 ( -23.924 0.000 7.129) 24.963 7.260 ( -0.482 0.000 -0.286) 0.561 7.305 ( 6.098 0.000 0.474) 6.116 7.700 ( 22.187 0.000 -11.108) 24.812 8.160 ( 1.356 0.000 14.814) 14.876 8.357 ( -26.545 0.000 -0.190) 26.546 8.654 ( 10.481 0.000 20.970) 23.444 9.996 ( 2.312 0.000 -8.878) 9.175 10.100 ( 5.868 0.000 2.322) 6.310 11.871 ( 3.334 0.000 5.889) 6.768 11.937 ( -1.053 0.000 -4.461) 4.584 12.120 ( -6.434 0.000 -3.088) 7.137 12.561 ( -0.996 0.000 7.336) 7.403 12.943 ( -3.799 0.000 20.135) 20.491 13.179 ( 5.998 0.000 -0.138) 6.000 14.078 ( -10.130 0.000 -15.539) 18.549 14.539 ( 13.564 0.000 7.997) 15.746 15.051 ( 4.679 0.000 -1.094) 4.805 15.375 ( 2.548 0.000 17.933) 18.113 15.811 ( -5.508 0.000 0.883) 5.578 17.667 ( -2.924 0.000 0.242) 2.934 18.254 ( -0.915 0.000 -1.787) 2.008 18.683 ( -1.494 0.000 -6.540) 6.709 19.557 ( 4.583 0.000 -9.262) 10.334 20.258 ( 1.197 0.000 -22.615) 22.647 20.913 ( -4.490 0.000 13.031) 13.782 23.158 ( 1.011 0.000 -2.690) 2.874 23.205 ( 4.735 0.000 -0.248) 4.742 24.274 ( -0.844 0.000 -3.921) 4.011 ======================= Grid point 127 (43/312) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( -30.434 0.000 25.619) 39.782 3.648 ( -36.163 0.000 4.565) 36.449 4.281 ( 19.687 0.000 14.955) 24.723 5.153 ( 11.960 0.000 1.814) 12.097 5.451 ( -0.695 0.000 6.092) 6.131 5.474 ( 5.878 0.000 4.649) 7.494 5.841 ( -54.890 0.000 -6.701) 55.297 6.317 ( 7.087 0.000 -17.179) 18.584 7.271 ( 1.648 0.000 0.087) 1.650 7.364 ( -13.406 0.000 13.787) 19.230 7.879 ( -9.169 0.000 -3.865) 9.950 8.189 ( -3.061 0.000 8.919) 9.430 8.239 ( 24.847 0.000 -5.668) 25.486 8.953 ( 11.569 0.000 13.390) 17.696 9.967 ( -1.718 0.000 -6.914) 7.124 10.267 ( 8.372 0.000 5.713) 10.135 11.882 ( -3.109 0.000 -5.481) 6.302 12.024 ( 8.637 0.000 11.662) 14.512 12.035 ( -0.194 0.000 -3.209) 3.215 12.570 ( 0.479 0.000 -1.547) 1.620 12.964 ( -1.385 0.000 22.426) 22.469 13.375 ( 12.093 0.000 4.166) 12.790 13.793 ( -13.003 0.000 -13.274) 18.581 14.777 ( 7.288 0.000 5.556) 9.165 15.036 ( -6.639 0.000 -0.768) 6.683 15.485 ( 2.502 0.000 25.464) 25.587 15.606 ( -13.824 0.000 -1.215) 13.877 17.582 ( -4.237 0.000 -2.376) 4.858 18.283 ( 4.075 0.000 -2.027) 4.551 18.757 ( 9.965 0.000 -9.667) 13.884 19.678 ( 10.446 0.000 -5.854) 11.975 20.198 ( 0.995 0.000 -26.786) 26.804 20.920 ( 0.946 0.000 12.110) 12.147 23.166 ( 0.742 0.000 -2.054) 2.184 23.273 ( 1.621 0.000 3.565) 3.916 24.195 ( -5.349 0.000 -5.838) 7.918 ======================= Grid point 128 (44/312) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -32.889 0.000 32.977) 46.575 2.871 ( -42.596 0.000 6.259) 43.053 4.401 ( -42.031 0.000 -0.542) 42.034 4.851 ( -12.894 0.000 10.551) 16.661 5.193 ( -0.575 0.000 -9.117) 9.136 5.450 ( -0.887 0.000 6.473) 6.533 5.773 ( 16.779 0.000 5.046) 17.521 6.492 ( 12.464 0.000 -3.797) 13.029 6.909 ( -28.424 0.000 4.906) 28.844 7.326 ( 3.640 0.000 0.332) 3.655 7.859 ( 1.916 0.000 8.999) 9.201 8.101 ( -7.360 0.000 2.650) 7.822 8.684 ( 19.438 0.000 -3.734) 19.794 9.173 ( 7.287 0.000 5.141) 8.918 9.898 ( -2.803 0.000 -4.501) 5.302 10.445 ( 7.104 0.000 3.984) 8.145 11.785 ( -3.948 0.000 -7.660) 8.617 12.074 ( 4.142 0.000 -4.086) 5.818 12.278 ( 10.682 0.000 17.490) 20.494 12.563 ( 0.276 0.000 -5.473) 5.480 13.048 ( 1.801 0.000 22.343) 22.416 13.471 ( -13.234 0.000 -10.041) 16.612 13.670 ( 13.902 0.000 4.917) 14.746 14.817 ( -13.661 0.000 1.098) 13.705 14.838 ( -2.385 0.000 -4.615) 5.194 15.311 ( -14.289 0.000 3.996) 14.837 15.665 ( 5.472 0.000 29.396) 29.901 17.512 ( -1.305 0.000 -3.323) 3.570 18.378 ( 5.371 0.000 -1.191) 5.501 18.944 ( 11.430 0.000 -12.297) 16.788 19.942 ( 17.196 0.000 -2.810) 17.424 20.096 ( -1.444 0.000 -29.693) 29.728 21.031 ( 5.901 0.000 9.768) 11.412 23.178 ( 0.972 0.000 -0.943) 1.354 23.299 ( -0.560 0.000 5.863) 5.890 24.021 ( -9.354 0.000 -8.265) 12.482 ======================= Grid point 129 (45/312) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -34.866 0.000 37.120) 50.927 2.010 ( -45.551 0.000 9.779) 46.589 3.116 ( -70.167 0.000 7.043) 70.519 4.879 ( -3.876 0.000 17.561) 17.984 5.176 ( 3.141 0.000 -12.291) 12.686 5.506 ( 4.365 0.000 2.700) 5.132 6.086 ( 12.690 0.000 1.606) 12.791 6.388 ( -23.070 0.000 -0.106) 23.070 6.737 ( 10.884 0.000 5.424) 12.160 7.411 ( 4.398 0.000 1.056) 4.524 7.936 ( -8.849 0.000 -0.111) 8.849 7.951 ( 2.543 0.000 16.895) 17.086 8.948 ( 7.044 0.000 0.052) 7.044 9.331 ( 9.128 0.000 -0.629) 9.149 9.831 ( -2.540 0.000 -2.610) 3.642 10.563 ( 4.010 0.000 -1.476) 4.273 11.659 ( -5.181 0.000 -17.137) 17.903 12.124 ( 1.206 0.000 -2.952) 3.189 12.513 ( 4.325 0.000 18.608) 19.104 12.561 ( 1.477 0.000 -3.008) 3.351 13.191 ( 4.916 0.000 20.554) 21.134 13.214 ( -7.720 0.000 -5.225) 9.322 13.967 ( 13.632 0.000 2.598) 13.877 14.548 ( -12.875 0.000 2.104) 13.046 14.659 ( -9.427 0.000 -15.062) 17.769 15.091 ( -11.463 0.000 9.080) 14.624 15.896 ( 6.922 0.000 28.163) 29.001 17.511 ( 1.864 0.000 -1.425) 2.346 18.473 ( 4.084 0.000 -0.036) 4.084 19.107 ( 9.202 0.000 -12.682) 15.669 19.934 ( -3.995 0.000 -28.808) 29.084 20.314 ( 19.459 0.000 -1.699) 19.533 21.199 ( 7.296 0.000 6.723) 9.922 23.196 ( 0.621 0.000 0.471) 0.780 23.289 ( -2.683 0.000 3.782) 4.637 23.781 ( -10.394 0.000 -10.569) 14.823 ======================= Grid point 130 (46/312) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -42.087 0.000 19.734) 46.484 1.265 ( -50.294 0.000 14.212) 52.263 1.956 ( -47.330 0.000 59.686) 76.175 4.814 ( -7.313 0.000 18.614) 19.999 5.228 ( 6.043 0.000 -12.693) 14.058 5.577 ( 1.557 0.000 -2.283) 2.763 6.022 ( -12.624 0.000 -3.097) 12.998 6.278 ( 6.094 0.000 -0.592) 6.122 6.945 ( 7.108 0.000 8.795) 11.308 7.491 ( 2.301 0.000 2.091) 3.109 7.778 ( -6.154 0.000 1.352) 6.301 8.059 ( 0.110 0.000 16.792) 16.793 9.010 ( 0.717 0.000 1.217) 1.413 9.521 ( 8.624 0.000 -0.788) 8.660 9.778 ( -1.905 0.000 -2.263) 2.958 10.590 ( 0.334 0.000 -7.885) 7.892 11.398 ( -14.068 0.000 -21.346) 25.565 12.118 ( 0.373 0.000 0.780) 0.864 12.537 ( -5.629 0.000 11.305) 12.629 12.604 ( 2.494 0.000 2.335) 3.416 13.144 ( -0.880 0.000 0.929) 1.279 13.381 ( 7.260 0.000 15.201) 16.846 14.216 ( 10.814 0.000 -2.248) 11.045 14.338 ( -8.455 0.000 1.336) 8.560 14.477 ( -1.914 0.000 -11.277) 11.438 14.859 ( -14.172 0.000 3.600) 14.622 16.017 ( -9.245 0.000 -2.989) 9.716 17.567 ( 3.167 0.000 2.566) 4.076 18.537 ( 2.271 0.000 1.156) 2.548 19.225 ( 6.789 0.000 -11.298) 13.180 19.830 ( 7.291 0.000 -2.847) 7.827 20.648 ( 12.960 0.000 -2.238) 13.152 21.340 ( 4.190 0.000 3.451) 5.428 23.128 ( -17.934 0.000 -12.734) 21.995 23.172 ( -3.827 0.000 -2.084) 4.358 23.597 ( -2.552 0.000 -8.148) 8.538 ======================= Grid point 131 (47/312) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 2.487 37.285 23.592) 44.192 1.354 ( 2.875 33.962 32.940) 47.400 2.258 ( -3.123 59.670 51.793) 79.074 4.781 ( -3.201 1.499 17.688) 18.037 5.419 ( 3.998 9.931 -10.229) 14.807 5.622 ( 1.984 3.027 -7.073) 7.945 5.887 ( -7.628 8.479 -3.562) 11.948 6.285 ( -2.080 -3.726 -3.079) 5.262 7.031 ( 0.058 -4.446 9.379) 10.379 7.698 ( -0.046 0.151 7.618) 7.619 7.763 ( 11.057 9.640 2.895) 14.952 8.103 ( -12.838 13.049 1.033) 18.335 8.982 ( 0.080 -4.016 -0.597) 4.061 9.587 ( 1.786 -4.476 0.764) 4.879 9.705 ( -0.819 -0.713 -1.224) 1.636 10.453 ( -3.095 -6.923 -12.598) 14.704 11.339 ( 11.631 -2.382 3.901) 12.497 12.136 ( 4.248 0.836 -2.213) 4.863 12.408 ( -3.071 -8.823 5.213) 10.698 12.773 ( -5.531 8.936 10.327) 14.734 13.012 ( -6.984 -0.541 10.056) 12.255 13.864 ( 6.205 -2.241 -14.100) 15.566 14.249 ( -5.004 -6.687 0.905) 8.401 14.438 ( -1.036 -1.020 -2.829) 3.181 14.545 ( 0.446 11.401 -3.038) 11.808 14.768 ( 2.474 19.739 -9.669) 22.119 15.554 ( -31.856 31.207 -16.361) 47.501 17.577 ( 4.829 -3.554 9.668) 11.376 18.583 ( 2.179 -0.497 3.332) 4.013 19.287 ( 4.662 -0.608 -9.410) 10.519 20.527 ( 5.885 -15.663 -5.655) 17.662 20.982 ( 40.549 6.858 -12.411) 42.957 21.273 ( -3.007 -5.262 -1.849) 6.336 22.038 ( -35.327 -3.261 9.705) 36.781 23.414 ( -7.742 16.278 -20.353) 27.188 23.627 ( 6.523 -0.796 -1.410) 6.721 ======================= Grid point 132 (48/312) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 15.151 25.824 31.925) 43.768 1.636 ( 22.510 24.156 28.537) 43.642 2.896 ( 44.883 47.126 40.905) 76.867 4.824 ( 0.993 2.917 17.418) 17.689 5.396 ( -0.813 2.937 -7.472) 8.070 5.667 ( -8.989 8.413 -12.378) 17.458 5.805 ( 13.637 9.370 -4.252) 17.083 6.175 ( -8.014 -1.856 -1.885) 8.439 7.012 ( -4.908 -7.217 11.655) 14.561 7.664 ( -6.873 -0.153 2.409) 7.285 7.809 ( -4.327 13.722 -2.557) 14.613 8.074 ( 8.027 12.808 20.406) 25.394 8.963 ( -2.137 -3.751 -2.668) 5.075 9.620 ( 1.960 -5.388 -2.377) 6.207 9.685 ( -2.681 2.400 -0.030) 3.598 10.317 ( -5.169 -5.730 -15.582) 17.388 11.675 ( 15.109 -18.488 3.328) 24.107 12.260 ( 7.830 -4.965 3.355) 9.860 12.300 ( -8.349 -7.695 0.979) 11.397 12.681 ( -7.708 3.919 15.428) 17.686 12.927 ( -3.804 1.488 5.838) 7.125 13.809 ( -5.122 7.365 -9.693) 13.207 14.080 ( -13.212 0.613 -2.154) 13.400 14.295 ( -1.435 -8.181 0.557) 8.325 14.660 ( 6.930 12.596 -8.733) 16.821 14.874 ( 6.617 28.031 -20.354) 35.268 15.137 ( -1.081 29.517 6.605) 30.266 17.667 ( 0.754 -2.565 9.294) 9.671 18.613 ( -0.678 1.371 3.545) 3.861 19.320 ( 1.485 -0.772 -6.849) 7.051 20.352 ( -15.644 -15.911 -6.557) 23.257 21.034 ( -17.583 3.215 -3.079) 18.138 21.369 ( -10.440 -14.439 17.714) 25.125 21.985 ( 31.954 -0.534 -23.217) 39.502 23.214 ( -3.774 12.254 -13.437) 18.573 23.812 ( 10.267 0.708 -1.025) 10.343 ======================= Grid point 133 (49/312) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 17.632 16.369 37.599) 44.638 2.350 ( 35.564 16.521 14.059) 41.658 4.049 ( 52.366 29.104 27.596) 65.960 4.911 ( 0.593 5.800 15.669) 16.718 5.365 ( -1.154 -2.102 -6.377) 6.813 5.424 ( -7.322 7.656 -5.521) 11.946 5.904 ( -13.165 -2.005 -2.185) 13.495 6.195 ( 21.127 15.160 -7.963) 27.195 6.931 ( -7.609 -8.883 13.220) 17.651 7.525 ( -4.940 8.260 -4.054) 10.444 7.759 ( -3.941 -6.416 10.050) 12.558 8.288 ( 6.026 14.234 16.792) 22.823 8.844 ( -8.809 -2.056 -6.551) 11.169 9.575 ( -8.918 3.204 3.007) 9.941 9.662 ( 4.297 -5.086 -7.084) 9.722 10.159 ( -4.704 -3.841 -14.264) 15.503 11.866 ( 3.324 -14.165 2.933) 14.842 12.117 ( -8.902 -2.693 -0.104) 9.301 12.443 ( 6.436 -10.775 6.076) 13.944 12.606 ( -4.700 3.645 16.959) 17.972 12.896 ( -1.836 -1.725 6.590) 7.055 13.628 ( -12.619 3.876 -7.357) 15.112 13.869 ( -1.660 15.983 1.633) 16.152 14.395 ( 10.431 -5.392 -6.749) 13.543 14.707 ( 1.937 13.099 -12.716) 18.358 14.917 ( 6.040 21.350 -10.030) 24.349 15.361 ( 13.666 11.025 10.518) 20.468 17.684 ( -1.940 -2.961 8.462) 9.172 18.579 ( -3.786 2.585 2.796) 5.370 19.290 ( -3.268 -1.139 -3.375) 4.833 19.970 ( -17.362 -12.732 -11.600) 24.456 20.689 ( -13.918 4.713 -5.024) 15.530 21.203 ( -11.339 -12.310 15.955) 23.123 22.461 ( 21.857 -9.525 -19.172) 30.594 23.155 ( 0.772 6.871 -8.084) 10.638 24.004 ( 8.898 0.188 -1.103) 8.968 ======================= Grid point 134 (50/312) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 23.629 12.654 30.383) 40.516 3.115 ( 35.566 8.262 11.775) 38.365 4.655 ( -11.213 8.194 10.363) 17.329 5.091 ( 15.122 12.435 -1.676) 19.650 5.314 ( 0.970 -6.908 -2.903) 7.556 5.539 ( -2.761 3.389 7.423) 8.615 5.645 ( 15.299 9.371 12.741) 22.005 6.649 ( 23.383 12.126 -7.224) 27.313 6.792 ( -7.801 -7.314 3.840) 11.362 7.435 ( -3.201 9.203 -3.211) 10.259 7.720 ( -3.372 -16.304 12.923) 21.076 8.431 ( 2.593 14.816 15.800) 21.815 8.554 ( -16.744 0.545 -10.247) 19.639 9.345 ( -15.454 4.935 5.115) 17.010 9.747 ( 6.805 -5.954 -9.258) 12.941 10.049 ( -1.805 -2.207 -9.277) 9.705 11.882 ( -1.519 -8.409 2.709) 8.964 11.970 ( -5.508 -0.640 0.956) 5.626 12.490 ( -1.336 2.128 -3.998) 4.722 12.616 ( -2.683 3.135 22.214) 22.594 12.887 ( -2.638 -7.136 12.267) 14.435 13.330 ( -12.018 1.263 -7.949) 14.464 14.006 ( 12.005 14.086 5.037) 19.181 14.547 ( 3.544 5.855 -14.847) 16.349 14.727 ( 7.686 5.685 -8.671) 12.907 15.053 ( 8.506 10.951 3.103) 14.209 15.659 ( 11.698 7.353 8.449) 16.195 17.660 ( -2.731 -4.079 6.585) 8.213 18.485 ( -5.888 2.763 0.739) 6.545 19.120 ( -13.747 -4.101 -0.588) 14.358 19.661 ( -6.975 -5.672 -15.250) 17.703 20.447 ( -7.724 1.043 -11.123) 13.582 21.035 ( -10.660 -10.921 15.135) 21.494 22.756 ( 13.798 -10.979 -11.827) 21.233 23.161 ( 1.704 3.680 -5.025) 6.457 24.151 ( 6.223 -1.266 -1.893) 6.627 ======================= Grid point 135 (51/312) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 23.838 9.999 25.402) 36.242 3.830 ( 30.938 3.466 10.056) 32.716 4.287 ( -23.053 9.391 6.329) 25.685 5.034 ( -19.123 -3.589 2.218) 19.583 5.269 ( 0.978 -6.086 -1.938) 6.461 5.476 ( 4.380 9.211 0.725) 10.225 6.415 ( 28.635 4.308 16.111) 33.137 6.538 ( -7.014 -6.896 -4.435) 10.789 7.152 ( 20.923 10.044 -5.040) 23.750 7.363 ( -1.504 7.435 -2.918) 8.128 7.707 ( -3.500 -14.132 5.573) 15.589 8.131 ( -18.023 4.609 -7.683) 20.127 8.550 ( 3.469 9.947 17.793) 20.678 9.012 ( -18.854 10.972 6.879) 22.874 9.853 ( 6.575 -6.686 -8.663) 12.767 10.024 ( 1.324 -1.713 -3.723) 4.307 11.859 ( -0.845 -1.239 2.958) 3.316 11.900 ( -2.255 -4.037 -0.041) 4.624 12.404 ( -5.299 10.719 -4.878) 12.914 12.621 ( -3.360 5.300 15.965) 17.154 12.879 ( -2.967 -6.849 17.438) 18.968 13.140 ( -4.120 -1.529 -4.348) 6.182 14.307 ( 12.843 6.974 4.935) 15.425 14.464 ( -2.334 17.219 -14.250) 22.472 14.905 ( 9.702 0.234 -3.586) 10.346 15.252 ( 7.573 5.372 10.720) 14.182 15.854 ( 4.690 5.310 4.471) 8.378 17.628 ( -2.452 -5.902 3.993) 7.535 18.373 ( -4.149 3.402 -2.057) 5.746 18.799 ( -14.953 -6.356 -2.805) 16.488 19.569 ( 1.294 -0.285 -12.616) 12.685 20.292 ( -3.136 -2.118 -16.220) 16.655 20.895 ( -8.207 -9.951 14.196) 19.180 22.949 ( 8.862 -11.298 -5.968) 15.550 23.177 ( 1.228 1.936 -3.295) 4.014 24.236 ( 2.982 -2.530 -3.040) 4.953 ======================= Grid point 136 (52/312) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( -7.631 6.278 23.566) 25.554 3.960 ( -0.546 7.741 5.156) 9.317 4.254 ( -2.612 7.858 7.358) 11.077 4.765 ( 4.247 -4.855 7.657) 10.012 5.296 ( 1.661 -10.362 0.185) 10.496 5.571 ( 2.659 11.553 5.751) 13.176 6.265 ( -6.210 -8.795 -19.212) 22.023 6.808 ( -20.875 2.912 7.447) 22.354 7.134 ( 4.938 -2.521 1.850) 5.844 7.545 ( -2.128 13.992 -1.425) 14.224 7.723 ( 17.626 0.228 -4.547) 18.205 7.885 ( -6.014 -9.715 -2.912) 11.791 8.704 ( -12.881 20.590 9.891) 26.224 8.753 ( 10.584 8.584 17.830) 22.442 9.931 ( 3.084 -6.420 -7.172) 10.108 10.075 ( 4.737 -2.458 1.709) 5.604 11.856 ( -1.817 -6.346 -3.949) 7.692 11.895 ( 2.962 1.509 6.647) 7.432 12.265 ( -6.461 13.733 -2.198) 15.336 12.599 ( -2.598 2.753 5.728) 6.866 12.903 ( -1.643 -2.340 21.830) 22.017 13.150 ( 5.775 -2.963 0.496) 6.510 14.239 ( -8.532 13.229 -13.010) 20.422 14.657 ( 12.818 12.050 6.313) 18.691 15.065 ( 6.365 1.780 0.560) 6.633 15.376 ( -0.435 0.575 15.730) 15.747 15.859 ( -4.964 4.863 0.079) 6.949 17.579 ( -3.521 -7.653 0.734) 8.456 18.327 ( 0.083 6.159 -3.396) 7.034 18.599 ( -1.502 -8.022 -5.448) 9.812 19.592 ( 4.675 1.590 -9.414) 10.630 20.199 ( 0.112 -4.296 -20.863) 21.301 20.815 ( -4.284 -9.297 13.370) 16.839 23.076 ( 5.297 -10.599 -1.847) 11.992 23.185 ( 0.437 0.524 -1.845) 1.967 24.247 ( -0.545 -2.852 -4.420) 5.288 ======================= Grid point 137 (53/312) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -30.956 5.535 21.425) 38.052 3.692 ( -31.633 4.539 3.722) 32.173 4.410 ( 17.088 11.894 14.277) 25.245 5.056 ( 10.437 -8.086 -1.962) 13.347 5.386 ( 9.055 -7.749 5.789) 13.250 5.602 ( -1.445 12.846 7.697) 15.045 5.939 ( -44.675 8.846 -4.626) 45.777 6.266 ( 2.190 -4.530 -16.197) 16.960 7.300 ( 3.403 0.533 -0.512) 3.483 7.415 ( -17.960 2.569 7.387) 19.589 7.609 ( -1.590 -9.950 5.006) 11.251 8.246 ( 22.950 3.137 -8.571) 24.698 8.529 ( -7.580 19.607 7.259) 22.239 9.067 ( 12.734 10.059 12.940) 20.756 9.917 ( -1.603 -4.912 -5.292) 7.396 10.222 ( 7.813 -4.461 5.107) 10.345 11.789 ( -3.061 -7.900 -7.144) 11.082 12.022 ( 6.000 0.230 10.944) 12.483 12.164 ( -2.573 12.501 1.560) 12.858 12.566 ( -1.169 -0.817 -1.445) 2.030 12.962 ( -0.115 0.940 22.062) 22.082 13.353 ( 12.559 -2.274 4.868) 13.659 14.000 ( -10.607 16.935 -10.739) 22.685 14.878 ( 6.361 10.242 4.430) 12.845 15.101 ( -4.600 6.820 -0.861) 8.271 15.397 ( -2.137 -6.479 20.939) 22.022 15.689 ( -10.115 6.358 1.666) 12.063 17.500 ( -3.382 -7.099 -2.636) 8.293 18.340 ( 2.743 4.410 -3.039) 6.017 18.703 ( 12.011 -5.211 -8.411) 15.562 19.693 ( 8.344 0.119 -6.065) 10.316 20.135 ( 1.271 -4.681 -25.304) 25.764 20.829 ( 1.263 -8.584 12.499) 15.215 23.153 ( 2.897 -8.845 0.241) 9.311 23.181 ( -0.667 -1.363 0.343) 1.555 24.182 ( -4.024 -1.656 -6.107) 7.499 ======================= Grid point 138 (54/312) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -33.700 4.382 25.068) 42.229 3.001 ( -37.716 11.043 6.732) 39.872 4.623 ( -23.029 18.187 6.039) 29.959 4.937 ( -27.185 10.170 4.689) 29.402 5.131 ( 3.255 -4.395 -8.879) 10.428 5.564 ( 0.325 9.278 6.106) 11.111 5.747 ( 14.856 -1.399 5.679) 15.966 6.425 ( 12.582 -6.565 -3.295) 14.569 6.917 ( -24.402 -0.722 -0.048) 24.413 7.410 ( 3.603 8.431 -1.041) 9.228 7.683 ( 2.781 -8.263 12.948) 15.610 8.310 ( -8.040 12.925 -0.973) 15.253 8.699 ( 16.084 1.381 -0.956) 16.171 9.301 ( 7.545 11.238 4.471) 14.256 9.855 ( -2.652 -4.557 -2.455) 5.816 10.389 ( 6.614 -5.681 3.528) 9.406 11.679 ( -5.014 -9.712 -10.251) 14.985 12.106 ( -0.038 5.903 4.317) 7.313 12.248 ( 6.052 -2.485 12.709) 14.294 12.566 ( 2.771 1.034 -1.065) 3.144 13.052 ( 1.384 0.881 20.507) 20.573 13.625 ( 8.363 1.822 2.374) 8.883 13.787 ( -2.956 17.644 -4.623) 18.477 14.844 ( -11.887 4.748 0.606) 12.815 14.972 ( -4.680 11.061 -5.758) 13.319 15.323 ( -10.126 1.734 7.074) 12.473 15.657 ( 3.041 -0.220 24.723) 24.911 17.444 ( -0.843 -5.818 -4.459) 7.379 18.410 ( 4.552 2.072 -2.469) 5.578 18.931 ( 12.675 -1.589 -11.198) 16.988 19.886 ( 11.616 -6.766 -4.427) 14.153 20.080 ( 3.801 0.416 -26.116) 26.395 20.948 ( 6.144 -7.735 10.275) 14.253 23.146 ( -4.258 -7.684 5.405) 10.315 23.207 ( 3.074 -3.417 -2.018) 5.019 24.051 ( -6.341 1.636 -7.790) 10.177 ======================= Grid point 139 (55/312) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -33.464 8.190 26.150) 43.252 2.256 ( -39.501 16.415 11.029) 44.175 3.561 ( -59.044 40.149 9.581) 72.041 4.887 ( -3.841 0.140 14.181) 14.693 5.192 ( 6.060 1.423 -9.877) 11.675 5.629 ( 4.290 11.681 1.619) 12.549 6.023 ( 9.545 -4.990 1.785) 10.917 6.472 ( -17.488 6.101 -2.339) 18.669 6.688 ( 11.494 -4.768 6.711) 14.138 7.477 ( 3.203 5.699 1.524) 6.712 7.752 ( -0.554 -5.094 6.564) 8.327 8.179 ( -3.783 10.680 5.494) 12.592 8.925 ( 6.264 -2.317 -0.298) 6.685 9.431 ( 5.832 8.296 -1.752) 10.291 9.807 ( -1.771 -3.468 -0.056) 3.895 10.496 ( 3.565 -6.738 -1.467) 7.763 11.512 ( -7.535 -10.851 -12.870) 18.444 12.107 ( -0.986 5.110 2.280) 5.682 12.362 ( 1.858 -10.688 8.206) 13.602 12.691 ( 6.687 7.579 9.107) 13.605 13.134 ( -1.394 -1.732 18.609) 18.741 13.585 ( 0.412 18.755 -7.187) 20.089 13.998 ( 13.623 2.992 4.038) 14.521 14.578 ( -12.845 1.895 1.424) 13.062 14.785 ( -8.506 13.645 -15.772) 22.523 15.156 ( -10.070 6.886 8.867) 15.082 15.858 ( 6.525 -3.407 26.265) 27.277 17.434 ( 1.037 -5.672 -3.469) 6.729 18.484 ( 3.312 0.272 -1.660) 3.715 19.103 ( 8.746 -0.164 -12.701) 15.422 19.971 ( 4.528 -0.108 -21.007) 21.490 20.265 ( 17.364 -1.888 -6.527) 18.647 21.120 ( 7.160 -7.245 7.278) 12.519 23.016 ( -11.754 -13.145 5.769) 18.554 23.278 ( 5.124 -0.762 -3.064) 6.019 23.894 ( -5.987 6.441 -8.875) 12.494 ======================= Grid point 140 (56/312) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -24.171 27.214 20.846) 41.945 1.525 ( -35.364 22.477 20.487) 46.643 2.590 ( -41.754 55.422 34.910) 77.676 4.824 ( -6.612 0.602 16.864) 18.124 5.308 ( 8.853 4.962 -11.302) 15.190 5.675 ( -0.793 9.588 -3.661) 10.294 6.040 ( -7.325 1.792 -0.019) 7.541 6.296 ( 0.686 1.654 -3.774) 4.177 6.919 ( 7.787 -3.199 9.170) 12.449 7.563 ( 5.132 6.355 4.661) 9.405 7.717 ( -2.612 -1.682 2.926) 4.268 8.198 ( 0.695 7.712 7.074) 10.488 8.979 ( 0.558 -3.281 -0.112) 3.330 9.529 ( 4.219 1.002 -1.179) 4.494 9.764 ( -2.925 -3.363 -1.444) 4.685 10.518 ( 0.193 -7.273 -7.256) 10.275 11.315 ( -6.498 -3.232 -7.655) 10.549 12.098 ( 0.506 3.943 -1.499) 4.248 12.408 ( 0.119 -10.348 7.540) 12.804 12.804 ( -0.008 10.942 9.729) 14.642 13.106 ( -6.215 -1.656 14.289) 15.669 13.697 ( 11.287 8.069 -7.322) 15.688 14.254 ( 10.058 3.378 -0.182) 10.612 14.383 ( -6.084 0.262 1.111) 6.190 14.607 ( -2.881 15.084 -13.014) 20.129 14.944 ( -12.899 9.516 2.326) 16.197 15.997 ( -3.816 -2.415 4.608) 6.452 17.462 ( 2.621 -5.214 3.309) 6.709 18.530 ( 1.961 -0.855 0.446) 2.185 19.208 ( 6.546 -0.043 -11.809) 13.502 20.114 ( 19.890 12.750 -14.160) 27.544 20.576 ( 14.324 -3.293 -4.868) 15.483 21.256 ( 3.759 -7.426 3.843) 9.167 22.674 ( -25.211 -16.733 3.720) 30.486 23.395 ( 7.833 2.560 -5.458) 9.884 23.737 ( -7.042 8.201 -12.336) 16.401 ======================= Grid point 141 (57/312) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -0.035 33.042 28.198) 43.438 2.090 ( 0.759 42.196 17.578) 45.717 3.637 ( 0.739 73.234 22.357) 76.574 4.779 ( -1.657 -2.928 16.377) 16.719 5.642 ( 15.321 4.777 -8.718) 18.264 5.724 ( -11.422 13.879 -7.257) 19.385 6.141 ( 0.952 12.285 5.925) 13.673 6.195 ( -6.690 -0.164 -11.248) 13.088 6.914 ( -1.633 -6.805 7.206) 10.045 7.682 ( -4.745 0.491 4.361) 6.464 7.949 ( 12.899 7.046 4.826) 15.470 8.296 ( -4.496 8.090 6.586) 11.359 8.867 ( 0.463 -7.156 -4.313) 8.368 9.396 ( -2.108 -13.399 2.208) 13.743 9.713 ( 2.259 -1.462 0.182) 2.697 10.253 ( -2.402 -13.046 -9.685) 16.424 11.325 ( 2.710 0.021 2.207) 3.495 12.048 ( -1.586 -11.619 -0.582) 11.741 12.394 ( 0.170 8.570 4.096) 9.501 12.897 ( -8.335 3.294 11.187) 14.334 13.083 ( -5.061 8.220 4.433) 10.622 13.737 ( 6.948 -7.394 -5.636) 11.607 14.049 ( -9.258 -9.414 2.342) 13.409 14.492 ( -4.064 4.334 0.956) 6.018 14.786 ( 2.206 11.532 -2.050) 11.918 15.072 ( 0.581 12.059 -6.307) 13.621 15.897 ( -7.243 7.496 4.752) 11.456 17.539 ( 3.842 -1.021 8.226) 9.137 18.575 ( 2.694 0.451 1.833) 3.290 19.272 ( 3.704 -1.327 -9.184) 9.992 20.169 ( -0.052 -19.157 -3.400) 19.456 20.822 ( 8.962 -19.879 -2.823) 21.987 21.333 ( 9.333 9.680 -12.568) 18.406 22.090 ( -17.101 5.381 1.312) 17.976 23.603 ( -8.407 1.887 -7.813) 11.631 23.612 ( 9.901 2.512 -8.653) 13.387 ======================= Grid point 142 (58/312) ======================= q-point: ( 0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 8.760 28.350 32.610) 44.089 2.302 ( 16.142 38.189 13.354) 43.558 4.029 ( 27.979 62.085 23.894) 72.168 4.865 ( 4.202 0.454 18.240) 18.723 5.477 ( -9.395 4.878 -6.060) 12.198 5.893 ( 4.266 12.752 -13.820) 19.282 5.931 ( -7.609 -0.612 -5.904) 9.651 6.263 ( 8.796 15.592 1.929) 18.005 6.837 ( -7.744 -9.561 9.438) 15.506 7.579 ( -6.882 -3.958 6.450) 10.229 8.057 ( -4.512 7.916 -9.498) 13.162 8.344 ( 7.138 13.581 21.523) 26.432 8.859 ( -0.202 -6.270 -5.567) 8.387 9.398 ( 1.624 -15.380 -3.374) 15.829 9.737 ( -0.950 -0.712 1.157) 1.658 10.153 ( -3.449 -10.434 -11.508) 15.912 11.435 ( 6.761 -6.677 5.638) 11.049 12.029 ( -0.951 -12.568 2.794) 12.910 12.383 ( -1.063 7.647 -1.498) 7.865 12.759 ( -7.923 3.274 9.599) 12.870 12.990 ( -5.422 5.292 4.471) 8.797 13.843 ( 2.357 -0.235 -6.855) 7.252 13.978 ( 2.303 -7.743 5.184) 9.598 14.264 ( -11.414 4.303 0.298) 12.202 14.923 ( 7.313 13.609 -7.185) 17.038 15.150 ( 8.580 8.428 -5.195) 13.101 15.743 ( -7.548 21.955 4.666) 23.680 17.611 ( -0.105 -3.220 9.643) 10.167 18.625 ( 0.941 0.407 3.145) 3.308 19.293 ( 1.217 -2.037 -7.322) 7.697 19.996 ( -14.023 -18.688 -5.331) 23.965 20.872 ( -2.856 -22.323 2.312) 22.624 21.258 ( -15.076 6.910 0.361) 16.588 22.039 ( 13.591 3.916 -15.494) 20.979 23.387 ( -6.892 5.847 -9.513) 13.122 23.821 ( 10.562 -0.050 -4.442) 11.458 ======================= Grid point 143 (59/312) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 14.052 26.260 29.465) 41.895 2.780 ( 25.452 26.039 10.140) 37.798 4.707 ( 22.265 26.666 15.432) 38.013 5.092 ( 12.106 14.944 17.150) 25.768 5.362 ( 4.292 5.758 1.407) 7.318 5.572 ( -15.930 4.069 -11.920) 20.308 5.913 ( -6.114 5.826 -1.655) 8.606 6.565 ( 19.855 20.096 -3.682) 28.489 6.709 ( -8.360 -11.253 11.637) 18.219 7.473 ( -5.293 -7.180 5.677) 10.574 7.878 ( -9.330 11.521 -3.771) 15.297 8.545 ( 4.679 9.951 12.387) 16.563 8.797 ( -4.026 -1.138 -5.313) 6.763 9.412 ( 1.249 -14.973 -7.174) 16.650 9.677 ( -4.429 -0.386 0.078) 4.446 10.052 ( -2.689 -6.619 -9.161) 11.618 11.594 ( 5.795 -10.711 5.879) 13.523 12.012 ( -2.536 -7.069 4.731) 8.876 12.384 ( 2.407 0.863 -1.587) 3.010 12.690 ( -2.105 3.536 11.493) 12.208 12.899 ( -5.452 2.762 5.945) 8.526 13.712 ( -14.250 4.757 0.043) 15.023 14.031 ( 3.946 3.741 4.855) 7.290 14.312 ( 14.116 -0.694 -6.060) 15.377 14.988 ( 3.259 14.702 -11.203) 18.769 15.280 ( 3.888 10.658 -5.372) 12.553 15.716 ( 3.400 22.974 10.364) 25.432 17.607 ( -3.158 -4.689 8.703) 10.378 18.618 ( -2.871 1.256 2.114) 3.780 19.249 ( -4.835 -2.907 -3.636) 6.711 19.663 ( -13.763 -17.057 -10.519) 24.311 20.742 ( -10.049 -11.579 -3.193) 15.660 20.951 ( -14.232 -0.393 10.972) 17.975 22.295 ( 15.168 -7.373 -16.895) 23.872 23.269 ( -2.384 4.834 -6.798) 8.676 23.991 ( 7.700 -1.776 -3.794) 8.766 ======================= Grid point 144 (60/312) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 20.362 20.815 24.924) 38.329 3.353 ( 27.859 15.624 8.629) 33.087 4.836 ( -8.961 7.652 7.733) 14.094 5.167 ( -8.095 -4.963 -7.736) 12.247 5.226 ( -6.626 -2.410 -2.689) 7.546 5.739 ( -5.261 14.781 -2.459) 15.881 5.970 ( 32.588 24.831 24.231) 47.600 6.548 ( -10.941 -12.637 8.260) 18.645 6.993 ( 23.140 17.542 -5.327) 29.522 7.419 ( -2.693 -10.241 7.149) 12.776 7.693 ( -6.594 14.068 -3.202) 15.864 8.523 ( -9.137 -1.356 -7.178) 11.698 8.731 ( -1.093 12.585 6.146) 14.048 9.358 ( -6.509 -6.494 1.565) 9.327 9.630 ( 1.991 -4.475 -5.406) 7.295 9.987 ( -1.194 -4.070 -5.365) 6.839 11.689 ( 2.309 -8.950 3.902) 10.033 11.966 ( -2.941 0.026 2.917) 4.142 12.450 ( 3.006 -6.048 2.541) 7.216 12.740 ( 2.190 3.627 6.093) 7.421 12.828 ( -4.231 3.803 15.771) 16.766 13.397 ( -15.800 6.563 1.629) 17.186 14.198 ( 10.103 6.221 4.633) 12.737 14.604 ( 15.607 3.478 -8.206) 17.973 14.996 ( 1.802 17.007 -10.778) 20.215 15.309 ( 1.799 11.890 1.549) 12.125 15.885 ( 7.659 15.892 8.369) 19.526 17.557 ( -4.377 -6.155 7.012) 10.306 18.524 ( -6.417 0.549 -1.079) 6.530 19.025 ( -15.863 -4.526 -0.750) 16.513 19.465 ( -1.684 -13.954 -14.098) 19.907 20.496 ( -10.770 -1.859 -7.703) 13.371 20.775 ( -8.907 -8.767 13.971) 18.746 22.505 ( 10.978 -14.041 -12.133) 21.561 23.227 ( -0.150 3.182 -5.100) 6.013 24.101 ( 4.641 -4.060 -3.825) 7.257 ======================= Grid point 145 (61/312) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( 20.290 15.287 22.142) 33.699 3.937 ( 26.949 7.595 7.641) 29.022 4.507 ( -21.063 10.434 -2.555) 23.645 4.950 ( -11.863 -6.091 0.910) 13.366 5.095 ( -7.723 -6.294 3.193) 10.462 5.711 ( 4.037 10.406 -4.497) 12.033 6.324 ( -11.610 -7.698 -1.276) 13.989 6.597 ( 17.908 6.473 20.109) 27.694 7.334 ( -7.446 1.510 3.767) 8.480 7.435 ( 20.052 7.710 -3.106) 21.706 7.690 ( 8.219 13.601 -4.501) 16.517 8.219 ( -16.572 4.445 -11.024) 20.394 8.755 ( 1.442 9.550 10.304) 14.123 9.206 ( -9.407 6.281 10.293) 15.293 9.689 ( 4.970 -8.564 -6.843) 12.036 9.970 ( 0.816 -3.735 -1.881) 4.261 11.730 ( 0.749 -6.854 2.171) 7.229 11.928 ( -1.401 3.212 2.436) 4.267 12.496 ( 0.267 -5.914 3.680) 6.971 12.753 ( -0.969 3.915 2.872) 4.951 12.879 ( 0.102 10.546 23.528) 25.784 13.127 ( -10.509 3.359 0.886) 11.068 14.417 ( 8.221 4.202 3.128) 9.748 14.817 ( 8.632 13.532 -9.855) 18.835 15.033 ( 5.812 16.327 -2.732) 17.545 15.381 ( 2.724 6.071 7.427) 9.972 16.020 ( 2.903 11.992 3.505) 12.826 17.487 ( -4.663 -7.893 4.706) 10.305 18.393 ( -3.976 -2.948 -4.778) 6.879 18.701 ( -14.374 -1.108 -1.809) 14.529 19.441 ( 3.080 -13.620 -12.427) 18.693 20.289 ( -6.771 -2.081 -8.836) 11.325 20.671 ( -6.070 -7.360 11.692) 15.090 22.659 ( 7.872 -17.561 -6.484) 20.308 23.214 ( 0.371 2.005 -4.480) 4.922 24.153 ( 2.057 -5.985 -4.507) 7.769 ======================= Grid point 146 (62/312) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( -9.401 9.427 20.593) 24.521 4.129 ( -7.672 8.259 -4.115) 12.000 4.467 ( 17.937 10.113 4.792) 21.142 4.680 ( -8.031 -0.003 7.012) 10.661 5.043 ( 1.332 -13.240 2.385) 13.519 5.814 ( 6.410 7.307 -1.479) 9.832 6.106 ( -7.703 -2.386 -7.362) 10.919 6.731 ( -11.964 -11.896 8.201) 18.759 7.211 ( -2.282 10.421 0.635) 10.687 7.692 ( 0.336 8.174 4.974) 9.574 7.827 ( -12.604 4.231 -12.186) 18.035 7.948 ( 17.281 14.713 -7.008) 23.754 8.923 ( 9.719 7.230 13.280) 17.975 9.070 ( -7.348 15.397 13.267) 21.612 9.763 ( 3.853 -9.643 -3.448) 10.942 10.001 ( 2.584 -5.050 0.493) 5.694 11.720 ( -2.048 -5.976 -1.914) 6.601 11.945 ( 1.613 3.042 6.523) 7.376 12.489 ( -1.668 -1.253 2.567) 3.308 12.692 ( -8.015 13.737 8.128) 17.861 12.966 ( 0.782 9.756 20.766) 22.957 13.064 ( 4.990 -5.275 1.502) 7.414 14.455 ( -4.345 6.742 -3.272) 8.663 14.980 ( 10.662 17.466 -2.167) 20.578 15.185 ( 7.422 13.307 6.121) 16.420 15.404 ( -4.587 1.561 8.053) 9.399 16.006 ( -4.816 10.253 -1.062) 11.377 17.406 ( -4.108 -9.188 1.006) 10.115 18.386 ( 5.148 -8.324 -5.497) 11.225 18.478 ( -5.728 4.909 -3.946) 8.513 19.484 ( 4.898 -14.302 -10.352) 18.322 20.162 ( -2.544 -2.442 -11.520) 12.048 20.619 ( -2.602 -5.550 10.171) 11.875 22.779 ( 5.511 -18.598 -1.307) 19.442 23.205 ( 0.244 1.349 -4.437) 4.644 24.154 ( -0.059 -6.683 -5.668) 8.763 ======================= Grid point 147 (63/312) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( -28.775 10.934 13.207) 33.495 3.828 ( -25.158 9.124 3.094) 26.940 4.673 ( 8.766 9.860 8.197) 15.533 4.882 ( 12.398 -5.778 -4.155) 14.295 5.213 ( 14.437 -8.339 7.837) 18.423 5.921 ( -0.047 18.004 9.333) 20.279 6.003 ( 1.077 -6.661 -10.201) 12.230 6.266 ( -28.735 6.366 -5.595) 29.959 7.105 ( -10.764 -9.609 -5.884) 15.583 7.606 ( 0.292 15.892 -0.289) 15.898 7.684 ( -5.476 10.141 11.129) 16.021 8.308 ( 18.164 2.553 -9.807) 20.800 8.871 ( -10.326 14.173 6.479) 18.695 9.272 ( 12.650 8.780 14.015) 20.822 9.785 ( -1.385 -7.850 -1.217) 8.064 10.093 ( 5.902 -8.407 2.986) 10.697 11.641 ( -4.433 -5.952 -5.249) 9.090 12.019 ( 2.051 -1.007 10.932) 11.169 12.477 ( -0.887 11.733 4.845) 12.725 12.551 ( -5.982 5.547 4.536) 9.334 13.043 ( 0.218 7.381 18.684) 20.090 13.285 ( 13.639 -4.295 6.673) 15.780 14.286 ( -9.974 9.563 -3.574) 14.272 15.160 ( 2.202 14.952 -2.057) 15.253 15.255 ( -8.076 -0.367 10.155) 12.980 15.348 ( 5.400 13.115 9.375) 17.001 15.841 ( -10.292 9.237 -0.730) 13.849 17.344 ( -1.475 -8.086 -3.106) 8.787 18.397 ( 0.896 0.039 -3.982) 4.081 18.594 ( 14.375 -3.656 -7.454) 16.600 19.557 ( 5.565 -15.169 -7.919) 17.994 20.101 ( 1.357 -1.347 -15.913) 16.027 20.655 ( 2.902 -4.457 10.283) 11.577 22.866 ( 2.665 -17.875 2.875) 18.300 23.195 ( 0.453 1.109 -4.719) 4.869 24.113 ( -1.719 -5.637 -7.065) 9.200 ======================= Grid point 148 (64/312) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -27.874 16.453 14.789) 35.586 3.265 ( -30.956 15.429 4.622) 34.895 4.805 ( 2.830 -1.774 3.528) 4.858 5.074 ( 6.059 1.141 -1.627) 6.376 5.391 ( -34.191 29.181 -2.251) 45.007 5.605 ( 9.843 -1.740 5.993) 11.655 5.931 ( 0.674 18.349 5.618) 19.202 6.242 ( 12.684 -11.332 -1.421) 17.068 6.836 ( -11.485 -5.929 -8.441) 15.437 7.568 ( -4.665 6.268 6.265) 10.015 7.754 ( 6.254 15.963 8.629) 19.193 8.482 ( -1.157 2.373 -11.504) 11.803 8.762 ( 1.441 6.231 6.932) 9.432 9.512 ( 7.184 7.218 5.282) 11.472 9.716 ( -4.481 -8.973 0.845) 10.066 10.224 ( 5.251 -10.698 2.537) 12.184 11.510 ( -6.232 -5.801 -6.494) 10.708 12.088 ( 0.686 -7.676 12.163) 14.399 12.396 ( -6.113 15.769 5.302) 17.724 12.620 ( 8.092 4.772 6.444) 11.392 13.105 ( -0.542 4.981 17.509) 18.212 13.602 ( 14.281 -2.592 7.132) 16.172 14.072 ( -9.297 8.633 -0.822) 12.714 14.896 ( -18.216 -2.184 3.115) 18.609 15.288 ( 0.346 19.717 -8.516) 21.480 15.443 ( -1.412 11.838 8.085) 14.404 15.679 ( -4.103 2.680 14.809) 15.599 17.328 ( 1.305 -5.172 -5.293) 7.515 18.434 ( 3.472 0.784 -4.702) 5.898 18.873 ( 14.948 -4.188 -8.982) 17.934 19.656 ( 7.005 -15.667 -6.031) 18.191 20.121 ( 7.244 -0.185 -17.418) 18.865 20.802 ( 7.844 -2.849 9.107) 12.353 22.886 ( -2.830 -15.774 5.725) 17.018 23.202 ( 2.483 0.812 -5.472) 6.064 24.041 ( -2.652 -3.096 -8.087) 9.056 ======================= Grid point 149 (65/312) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -22.235 24.921 19.294) 38.571 2.656 ( -30.447 24.036 5.009) 39.113 4.504 ( -40.598 50.878 7.860) 65.563 4.864 ( -3.198 -2.189 7.948) 8.843 5.205 ( 6.942 -1.317 -6.459) 9.573 5.880 ( 10.274 3.023 -0.562) 10.724 5.990 ( 2.950 12.058 3.469) 12.890 6.502 ( 7.653 -6.695 -0.968) 10.214 6.625 ( -3.401 2.685 0.624) 4.378 7.532 ( -0.892 1.445 9.802) 9.948 7.875 ( 2.561 15.911 -1.024) 16.149 8.340 ( -5.673 4.995 0.330) 7.566 8.858 ( 3.378 -4.254 0.037) 5.432 9.552 ( -2.854 0.029 -3.287) 4.354 9.682 ( 0.137 -7.216 4.502) 8.506 10.302 ( 2.251 -12.510 -1.221) 12.770 11.369 ( -5.062 -3.210 -4.514) 7.504 12.125 ( -1.065 -12.727 7.804) 14.967 12.327 ( -2.054 15.089 6.004) 16.369 12.835 ( 8.697 6.904 10.583) 15.339 13.137 ( -2.390 3.116 16.181) 16.651 13.758 ( -2.389 1.607 -3.975) 4.908 14.061 ( 10.121 2.516 8.262) 13.305 14.547 ( -16.630 -5.131 1.808) 17.498 15.149 ( -8.145 19.042 -14.947) 25.542 15.351 ( -8.302 11.710 6.094) 15.594 15.792 ( 5.129 -2.089 20.845) 21.568 17.356 ( 3.067 -1.798 -3.940) 5.307 18.482 ( 2.723 0.394 -3.882) 4.758 19.090 ( 9.972 -1.767 -10.748) 14.767 19.809 ( 10.614 -14.056 -5.402) 18.423 20.285 ( 14.530 -1.831 -14.990) 20.957 21.003 ( 8.881 -0.254 5.556) 10.478 22.769 ( -11.144 -11.754 5.671) 17.161 23.269 ( 6.243 0.148 -5.687) 8.447 23.952 ( -3.523 -0.621 -8.459) 9.184 ======================= Grid point 150 (66/312) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -16.856 29.170 26.488) 42.856 2.171 ( -16.147 39.190 7.629) 43.067 3.843 ( -26.626 66.790 16.447) 73.759 4.806 ( -5.717 -3.490 14.197) 15.698 5.382 ( 13.052 2.128 -9.292) 16.163 5.931 ( -4.066 14.801 -6.861) 16.813 6.071 ( 2.982 0.610 5.351) 6.156 6.374 ( -7.564 8.294 -7.647) 13.583 6.819 ( 8.392 -6.539 8.636) 13.703 7.627 ( 6.853 1.730 9.130) 11.546 7.836 ( -3.225 11.347 -2.352) 12.028 8.315 ( 0.111 4.427 5.333) 6.932 8.879 ( -0.069 -6.532 -2.612) 7.036 9.468 ( -4.736 -9.116 1.681) 10.409 9.686 ( 0.177 -3.682 -0.953) 3.808 10.308 ( -0.310 -13.673 -5.671) 14.805 11.302 ( -0.693 0.881 -0.810) 1.383 12.095 ( -2.676 -11.045 0.467) 11.375 12.353 ( 1.160 10.660 7.991) 13.373 12.967 ( -1.226 4.388 12.553) 13.354 13.132 ( -2.530 6.857 10.666) 12.930 13.684 ( -0.354 -4.267 -5.502) 6.972 14.260 ( -11.674 -7.628 1.816) 14.063 14.341 ( 11.936 2.504 4.064) 12.855 14.927 ( -9.255 13.954 -7.949) 18.535 15.177 ( -8.671 11.923 -1.219) 14.793 15.932 ( 1.059 -2.962 13.564) 13.924 17.428 ( 4.581 0.589 2.019) 5.040 18.521 ( 2.414 0.670 -1.282) 2.814 19.209 ( 6.108 -0.611 -10.570) 12.223 20.035 ( 12.319 -14.590 -4.296) 19.572 20.564 ( 16.958 -7.031 -11.722) 21.781 21.178 ( 7.924 4.549 -1.567) 9.270 22.480 ( -19.093 -5.267 4.114) 20.229 23.411 ( 9.794 0.294 -5.422) 11.198 23.821 ( -6.906 0.891 -9.905) 12.108 ======================= Grid point 151 (67/312) ======================= q-point: ( 0.00 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -0.538 32.568 23.592) 40.219 2.943 ( 1.129 42.889 10.606) 44.195 4.612 ( -1.156 -11.575 13.635) 17.922 5.030 ( 3.107 61.691 11.023) 62.745 5.566 ( 5.875 -12.818 1.955) 14.235 6.071 ( -13.682 14.355 -7.281) 21.125 6.187 ( 11.902 13.931 -12.441) 22.148 6.528 ( -2.642 14.021 -2.306) 14.452 6.827 ( -1.807 3.855 6.626) 7.876 7.715 ( -8.027 0.989 -0.898) 8.137 8.016 ( 9.878 -0.215 2.962) 10.315 8.412 ( 1.019 1.831 4.951) 5.376 8.771 ( 0.984 0.958 0.203) 1.388 9.092 ( -5.777 -16.801 5.125) 18.491 9.553 ( 2.044 -16.081 -1.589) 16.288 9.961 ( -1.231 -15.752 -3.055) 16.093 11.325 ( -0.062 0.001 2.493) 2.494 11.790 ( -2.454 -13.153 4.193) 14.022 12.596 ( -1.611 9.793 0.814) 9.958 12.943 ( -7.115 1.598 4.324) 8.478 13.298 ( -8.257 12.349 3.882) 15.354 13.636 ( 7.385 -1.390 1.926) 7.757 13.911 ( -5.401 -4.808 -0.197) 7.234 14.533 ( -4.264 -1.701 9.583) 10.626 14.994 ( 2.724 9.459 -0.415) 9.852 15.277 ( -0.081 8.488 -5.605) 10.172 16.026 ( -0.417 9.446 14.646) 17.433 17.492 ( 1.218 -4.906 8.624) 9.996 18.625 ( 2.490 4.815 -1.539) 5.635 19.219 ( 3.046 -4.281 -8.089) 9.646 19.816 ( -1.278 -15.513 -1.530) 15.640 20.352 ( 2.856 -25.646 0.330) 25.807 21.557 ( 5.174 12.320 -13.366) 18.900 22.173 ( -9.150 1.989 -3.396) 9.960 23.595 ( 4.429 -0.056 -4.086) 6.026 23.669 ( -0.529 1.284 -10.370) 10.462 ======================= Grid point 152 (68/312) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 8.574 30.628 24.433) 40.107 3.082 ( 8.656 39.820 10.692) 42.129 4.693 ( 4.319 -8.045 13.032) 15.913 5.289 ( 14.708 47.414 15.459) 51.994 5.544 ( -8.258 -2.978 3.538) 9.465 5.830 ( -5.904 4.057 -4.496) 8.458 6.208 ( -3.494 13.615 -19.526) 24.059 6.656 ( 11.309 11.183 0.572) 15.915 6.742 ( -4.487 14.007 8.314) 16.895 7.537 ( -9.466 -0.872 4.818) 10.657 8.140 ( 1.345 0.987 -7.900) 8.074 8.514 ( 6.206 -0.185 4.346) 7.578 8.809 ( 2.281 5.101 7.181) 9.099 9.042 ( -0.442 -19.543 -1.115) 19.580 9.564 ( -0.431 -17.620 -3.604) 17.990 9.930 ( -0.852 -11.920 -2.987) 12.318 11.359 ( 2.743 -1.727 4.551) 5.587 11.787 ( 0.624 -11.718 6.439) 13.386 12.529 ( -4.199 6.271 -6.637) 10.050 12.795 ( -7.071 0.118 -0.612) 7.098 13.151 ( -8.239 10.976 7.921) 15.846 13.824 ( 7.028 -1.660 -1.495) 7.374 13.896 ( 4.813 0.004 6.533) 8.115 14.353 ( -10.815 2.573 9.801) 14.821 15.172 ( 10.258 10.470 -2.407) 14.854 15.306 ( 5.184 8.640 -8.136) 12.950 16.065 ( -0.406 14.142 14.748) 20.436 17.521 ( -1.730 -6.603 9.647) 11.817 18.661 ( 1.069 3.813 0.409) 3.981 19.232 ( 0.772 -4.360 -7.150) 8.410 19.656 ( -12.971 -14.699 -3.399) 19.897 20.353 ( -3.225 -28.162 3.824) 28.603 21.457 ( -10.914 11.722 -7.787) 17.809 22.088 ( 3.489 0.363 -12.922) 13.390 23.480 ( -5.908 4.164 -6.457) 9.692 23.803 ( 8.757 -1.843 -6.119) 10.841 ======================= Grid point 153 (69/312) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 12.277 29.410 22.522) 39.025 3.349 ( 14.499 30.711 8.308) 34.963 4.851 ( 5.470 -5.271 12.946) 15.010 5.224 ( -12.081 -1.192 -2.417) 12.378 5.513 ( -12.757 -5.058 -6.102) 15.018 5.943 ( 15.793 26.803 13.192) 33.792 6.122 ( 5.305 18.690 -3.643) 19.767 6.530 ( -11.061 3.127 8.382) 14.226 7.035 ( 16.568 24.138 -0.186) 29.278 7.389 ( -5.632 -0.585 4.078) 6.978 8.071 ( -4.122 7.167 -7.595) 11.227 8.571 ( -0.411 -5.216 -7.040) 8.771 8.908 ( 2.275 9.866 7.283) 12.472 9.061 ( 3.424 -19.256 0.072) 19.558 9.523 ( -1.301 -15.054 -4.595) 15.793 9.904 ( -0.750 -8.793 -2.453) 9.160 11.463 ( 5.160 -2.872 5.638) 8.165 11.860 ( 3.339 -8.133 9.933) 13.265 12.399 ( -5.016 0.479 -9.747) 10.973 12.697 ( -1.729 -2.976 -3.252) 4.735 13.033 ( -7.014 10.464 14.531) 19.231 13.783 ( -10.932 0.984 8.956) 14.167 14.088 ( 9.216 3.708 6.996) 12.150 14.392 ( 13.174 6.753 2.057) 14.947 15.283 ( 4.612 14.936 -11.685) 19.516 15.419 ( 5.829 5.546 -3.123) 8.631 16.135 ( 2.732 18.977 13.629) 23.523 17.491 ( -4.317 -7.478 8.586) 12.177 18.652 ( -2.854 2.943 0.437) 4.123 19.180 ( -5.301 -4.095 -3.466) 7.542 19.342 ( -13.634 -14.317 -8.289) 21.438 20.265 ( -7.005 -29.030 6.795) 30.626 21.166 ( -13.843 14.782 -4.352) 20.714 22.147 ( 6.079 -8.135 -15.127) 18.220 23.365 ( -3.305 5.350 -5.824) 8.572 23.927 ( 5.475 -4.750 -5.327) 8.995 ======================= Grid point 154 (70/312) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( 14.233 24.401 19.359) 34.246 3.717 ( 19.195 20.576 7.213) 29.049 4.856 ( -10.061 -4.401 6.761) 12.896 5.101 ( -8.341 -8.748 0.068) 12.088 5.151 ( -8.332 1.058 -8.656) 12.062 5.915 ( -7.531 -2.516 -7.613) 11.000 6.365 ( -7.908 1.187 9.594) 12.489 6.544 ( 14.286 26.392 18.917) 35.475 7.267 ( 7.679 11.984 11.056) 18.023 7.454 ( 12.859 14.664 -9.760) 21.809 7.963 ( -3.082 11.695 -6.384) 13.676 8.481 ( -5.048 -2.688 -9.524) 11.109 8.904 ( -1.686 1.657 -3.609) 4.314 9.154 ( 2.205 -9.036 10.055) 13.697 9.515 ( 2.158 -8.201 -2.772) 8.922 9.884 ( -0.441 -6.558 -1.539) 6.750 11.576 ( 3.992 -2.055 4.408) 6.292 11.962 ( 2.717 -0.996 8.571) 9.046 12.295 ( -2.456 -7.834 -3.274) 8.839 12.686 ( 1.770 -7.337 -7.167) 10.408 12.999 ( -2.515 10.996 22.715) 25.362 13.556 ( -14.025 6.628 13.378) 20.484 14.308 ( 9.934 6.273 5.626) 13.026 14.743 ( 19.194 9.086 -0.878) 21.254 15.328 ( 4.603 16.474 -11.757) 20.756 15.473 ( 0.615 6.003 -1.164) 6.145 16.253 ( 3.976 19.581 9.673) 22.199 17.417 ( -5.510 -8.131 6.760) 11.923 18.521 ( -9.809 0.285 -2.615) 10.156 18.966 ( -12.333 -1.494 0.978) 12.462 19.154 ( -3.313 -15.974 -12.201) 20.372 20.131 ( -8.675 -27.309 7.395) 29.593 20.924 ( -8.545 15.732 -2.534) 18.081 22.211 ( 5.175 -15.503 -12.018) 20.287 23.302 ( -1.235 4.756 -5.738) 7.555 23.987 ( 2.537 -7.448 -5.333) 9.505 ======================= Grid point 155 (71/312) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 13.201 14.022 17.718) 26.169 4.138 ( 19.104 12.398 6.689) 23.737 4.592 ( -16.901 -2.408 -5.468) 17.926 4.784 ( -8.933 -6.238 -1.826) 11.048 5.140 ( -5.117 6.130 4.922) 9.380 5.733 ( -4.925 -8.377 -12.199) 15.597 6.287 ( -3.003 2.166 7.678) 8.524 6.637 ( -6.746 2.052 12.236) 14.122 7.506 ( 6.580 18.190 6.622) 20.446 7.688 ( 13.131 12.530 -10.687) 21.063 7.956 ( 4.538 11.509 -3.322) 12.809 8.319 ( -6.958 5.429 -9.894) 13.258 8.884 ( 1.277 2.788 5.154) 5.997 9.215 ( 0.386 -4.219 12.938) 13.614 9.565 ( 2.743 -3.822 -2.706) 5.427 9.878 ( 0.088 -5.586 -0.366) 5.599 11.647 ( 1.547 -1.135 2.973) 3.538 12.005 ( -0.151 4.624 2.164) 5.107 12.292 ( 1.187 -12.156 7.390) 14.275 12.722 ( 4.333 -7.355 -2.154) 8.804 13.061 ( -1.167 9.300 23.669) 25.457 13.340 ( -11.480 12.239 12.253) 20.778 14.493 ( 5.871 4.701 3.316) 8.219 15.092 ( 15.180 14.479 -2.454) 21.121 15.411 ( 6.940 15.201 -4.915) 17.418 15.454 ( -2.028 6.179 1.183) 6.610 16.324 ( 0.104 17.643 3.674) 18.022 17.322 ( -5.886 -8.762 4.405) 11.438 18.305 ( -8.068 -3.539 -4.404) 9.850 18.750 ( -9.060 4.554 -1.984) 10.333 19.085 ( 0.294 -20.346 -9.736) 22.558 19.988 ( -7.423 -24.276 6.367) 26.172 20.802 ( -3.343 15.647 -1.890) 16.111 22.279 ( 5.114 -20.267 -6.809) 21.983 23.267 ( -0.223 3.725 -6.283) 7.308 23.999 ( 0.815 -9.489 -6.030) 11.272 ======================= Grid point 156 (72/312) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.857 ( -10.317 5.868 14.170) 18.485 4.267 ( -5.758 4.372 -3.736) 8.138 4.498 ( 8.241 -0.414 0.217) 8.254 4.735 ( 4.174 -3.327 4.660) 7.086 5.018 ( -2.757 14.469 2.937) 15.019 5.672 ( 2.667 -14.794 -12.147) 19.327 6.290 ( 0.570 7.288 4.886) 8.792 6.483 ( -10.311 -3.386 6.146) 12.472 7.484 ( -8.620 14.001 -5.567) 17.359 7.853 ( 5.712 4.109 -12.118) 14.013 7.997 ( -1.621 16.337 5.248) 17.236 8.229 ( 2.802 10.804 -6.790) 13.064 9.018 ( 6.788 3.071 11.424) 13.639 9.271 ( 0.100 3.834 18.061) 18.464 9.596 ( 1.790 -5.766 -2.259) 6.447 9.883 ( 0.573 -6.522 -0.465) 6.564 11.649 ( -2.005 -0.903 0.122) 2.203 11.995 ( -1.528 1.086 3.606) 4.064 12.370 ( 3.194 -5.960 10.651) 12.616 12.868 ( 9.238 -5.559 7.074) 12.895 13.031 ( -9.691 9.701 17.471) 22.209 13.243 ( -2.022 13.909 13.004) 19.148 14.530 ( -3.051 2.882 0.314) 4.209 15.333 ( 8.329 12.424 -2.059) 15.098 15.361 ( -5.542 3.386 3.410) 7.335 15.583 ( 7.934 20.739 3.774) 22.524 16.266 ( -6.326 15.282 -2.267) 16.694 17.224 ( -4.117 -9.294 0.457) 10.175 18.234 ( 2.571 -4.967 -2.948) 6.323 18.607 ( -3.219 6.776 -6.051) 9.638 19.093 ( 3.471 -22.824 -7.911) 24.404 19.896 ( -3.452 -21.863 4.148) 22.519 20.764 ( 0.171 16.391 -1.731) 16.483 22.370 ( 5.396 -22.023 -1.440) 22.720 23.244 ( 0.249 2.988 -7.059) 7.669 23.984 ( 0.173 -10.391 -7.263) 12.679 ======================= Grid point 157 (73/312) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( -20.524 13.111 6.335) 25.165 4.044 ( -19.289 12.105 3.344) 23.017 4.574 ( 4.824 -10.262 -4.022) 12.032 4.938 ( 8.878 -1.283 4.351) 9.970 5.176 ( 14.718 6.896 5.331) 17.105 5.744 ( 8.300 -15.405 -8.686) 19.536 6.268 ( -6.836 -2.675 -5.398) 9.112 6.352 ( -1.970 20.504 9.948) 22.875 7.153 ( -18.409 11.752 -10.356) 24.172 7.846 ( -2.542 9.388 -4.311) 10.639 8.022 ( 1.767 21.016 9.825) 23.266 8.322 ( 7.671 -1.651 -10.305) 12.952 9.072 ( -5.716 6.122 8.036) 11.607 9.380 ( 3.774 2.761 17.029) 17.659 9.624 ( -0.082 -8.668 1.774) 8.848 9.911 ( 2.980 -9.152 0.077) 9.625 11.574 ( -4.803 -0.780 -2.238) 5.356 11.963 ( -3.713 -4.852 7.540) 9.705 12.504 ( 6.673 1.651 10.752) 12.761 12.869 ( -10.029 15.214 13.702) 22.799 13.116 ( 8.667 -4.714 15.544) 18.411 13.299 ( 4.207 9.038 11.384) 15.132 14.391 ( -9.954 2.901 -0.545) 10.382 15.131 ( -15.164 -7.274 1.565) 16.891 15.530 ( 7.783 19.299 3.661) 21.129 15.713 ( 2.639 19.743 7.363) 21.236 16.067 ( -11.595 13.371 -5.627) 18.571 17.186 ( 1.025 -8.193 -3.041) 8.799 18.353 ( 8.392 -2.592 -2.072) 9.024 18.599 ( 5.620 3.347 -8.917) 11.059 19.167 ( 6.513 -22.120 -6.212) 23.881 19.876 ( 0.643 -19.896 -0.159) 19.907 20.809 ( 5.004 17.299 -0.202) 18.009 22.475 ( 4.504 -21.123 2.561) 21.749 23.229 ( 0.948 2.777 -7.729) 8.268 23.958 ( 0.088 -9.887 -8.645) 13.134 ======================= Grid point 158 (74/312) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( -17.833 23.797 8.034) 30.803 3.606 ( -23.428 18.855 2.847) 30.208 4.694 ( 7.199 -7.229 -1.929) 10.383 5.021 ( 0.125 -8.293 0.215) 8.296 5.531 ( 15.782 -2.540 5.973) 17.064 5.944 ( 10.852 -10.048 -1.738) 14.891 6.004 ( -15.539 20.055 -8.037) 26.613 6.377 ( 0.943 22.708 8.097) 24.127 6.842 ( -6.503 9.722 -8.895) 14.695 7.733 ( -7.760 10.212 3.632) 13.331 8.137 ( 5.789 20.402 8.265) 22.761 8.403 ( 3.735 -9.026 -15.618) 18.421 8.921 ( -10.408 8.503 8.804) 16.067 9.468 ( -1.474 -9.390 11.270) 14.743 9.583 ( -2.811 -6.287 -0.788) 6.932 9.989 ( 3.055 -12.308 2.453) 12.917 11.456 ( -5.736 -0.092 -1.778) 6.006 11.911 ( -4.047 -9.460 9.345) 13.900 12.663 ( 0.284 9.016 9.848) 13.355 12.788 ( 2.355 12.244 11.939) 17.263 13.231 ( -1.472 5.762 20.302) 21.155 13.554 ( 14.823 -1.203 8.623) 17.191 14.164 ( -11.656 2.193 1.143) 11.916 14.783 ( -19.113 -7.967 0.428) 20.712 15.632 ( -0.893 12.442 2.299) 12.684 15.769 ( 1.501 20.423 4.714) 21.014 15.785 ( -13.453 8.992 -0.517) 16.190 17.235 ( 4.397 -5.104 -2.662) 7.243 18.477 ( 4.862 4.198 -4.995) 8.137 18.778 ( 13.902 -4.762 -7.926) 16.696 19.310 ( 9.496 -18.103 -4.179) 20.865 19.921 ( 4.895 -18.666 -4.106) 19.729 20.966 ( 10.227 17.430 0.598) 20.218 22.550 ( 1.182 -18.022 4.461) 18.603 23.236 ( 2.782 2.940 -8.176) 9.123 23.927 ( -0.084 -8.249 -9.489) 12.574 ======================= Grid point 159 (75/312) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -16.622 29.949 14.408) 37.159 3.192 ( -17.106 29.569 1.595) 34.198 4.743 ( -4.912 -9.280 7.723) 13.035 5.098 ( 10.941 -7.229 -5.686) 14.293 5.495 ( -23.017 39.199 -0.398) 45.459 5.823 ( 8.455 -0.213 1.978) 8.686 6.256 ( 14.120 -7.254 -1.037) 15.908 6.447 ( 4.130 19.306 3.112) 19.986 6.780 ( 0.349 13.111 -7.369) 15.044 7.615 ( -4.508 6.729 9.553) 12.525 8.260 ( 0.535 21.289 -2.428) 21.434 8.333 ( -3.263 -6.696 -4.810) 8.867 8.787 ( -4.334 -1.812 4.700) 6.645 9.381 ( -8.327 -12.125 6.615) 16.128 9.552 ( -1.076 -10.357 -1.234) 10.485 10.021 ( -0.331 -15.471 0.624) 15.487 11.357 ( -3.442 1.220 0.790) 3.736 11.873 ( -3.131 -12.316 8.768) 15.439 12.626 ( -3.472 13.432 8.733) 16.393 12.961 ( 5.627 5.724 9.244) 12.242 13.280 ( 0.431 10.415 19.942) 22.502 13.758 ( -2.098 0.326 -4.707) 5.164 14.075 ( 6.892 -1.625 13.373) 15.132 14.403 ( -17.919 -8.533 -0.766) 19.862 15.453 ( -14.043 11.094 -10.440) 20.719 15.541 ( -9.358 5.341 4.502) 11.677 15.874 ( 3.197 13.582 12.165) 18.512 17.326 ( 4.701 -2.846 0.824) 5.557 18.536 ( 3.267 5.470 -5.502) 8.418 19.020 ( 11.626 -5.187 -8.391) 15.247 19.510 ( 11.322 -14.772 -2.001) 18.719 20.053 ( 9.566 -19.458 -4.865) 22.221 21.196 ( 12.309 17.190 -2.518) 21.293 22.533 ( -4.649 -12.516 3.920) 13.915 23.295 ( 6.229 2.803 -8.044) 10.553 23.882 ( -1.337 -6.081 -9.411) 11.284 ======================= Grid point 160 (76/312) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -13.097 31.400 19.703) 39.315 2.969 ( -6.774 40.582 5.748) 41.543 4.644 ( -6.309 -12.809 11.982) 18.640 5.107 ( -13.123 56.863 5.708) 58.636 5.361 ( 13.569 -6.123 -4.692) 15.609 5.982 ( 8.045 -0.477 0.270) 8.064 6.330 ( -4.841 18.807 -9.985) 21.836 6.569 ( 2.749 2.175 -1.219) 3.711 6.775 ( 2.195 12.395 2.885) 12.914 7.677 ( 7.030 2.114 7.968) 10.834 8.045 ( -11.366 6.260 -5.674) 14.162 8.382 ( 1.500 4.107 5.074) 6.698 8.760 ( 0.004 -3.691 -0.366) 3.709 9.228 ( -9.041 -13.356 7.081) 17.614 9.529 ( 0.268 -14.164 -2.358) 14.362 9.997 ( -1.433 -17.217 -1.740) 17.364 11.325 ( -0.756 1.318 2.174) 2.653 11.835 ( -3.327 -13.330 5.854) 14.934 12.607 ( -1.260 12.153 5.914) 13.574 13.019 ( -2.486 2.264 9.033) 9.639 13.372 ( 0.424 15.792 12.873) 20.378 13.608 ( -5.404 -2.494 -5.080) 7.824 14.088 ( -12.143 -8.846 -0.523) 15.033 14.369 ( 12.782 -0.966 10.633) 16.655 15.145 ( -13.027 8.327 -4.271) 16.041 15.367 ( -7.400 6.072 -1.390) 9.673 15.967 ( 1.396 9.328 13.780) 16.699 17.420 ( 3.402 -3.014 5.200) 6.907 18.580 ( 2.880 5.448 -3.870) 7.277 19.163 ( 5.943 -4.344 -8.704) 11.400 19.726 ( 9.485 -14.615 -1.041) 17.454 20.235 ( 8.864 -22.188 -2.900) 24.068 21.416 ( 11.313 16.094 -9.094) 21.672 22.390 ( -10.241 -5.049 1.385) 11.502 23.429 ( 9.544 1.891 -6.913) 11.935 23.795 ( -4.203 -3.142 -9.163) 10.559 ======================= Grid point 161 (77/312) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( -0.359 31.269 18.293) 36.228 3.762 ( 1.020 39.330 7.609) 40.072 4.271 ( 0.320 -21.129 14.240) 25.482 5.148 ( 2.757 -27.571 5.263) 28.204 5.902 ( 0.518 22.715 -0.843) 22.737 6.391 ( -4.680 -3.014 -8.363) 10.047 6.573 ( 4.500 37.576 -0.988) 37.857 6.732 ( 5.613 21.379 -6.474) 23.033 7.194 ( 0.855 22.805 -2.329) 22.940 7.605 ( -5.633 -13.745 -8.580) 17.154 7.953 ( 5.843 -4.248 8.456) 11.121 8.435 ( -1.188 3.441 -4.275) 5.615 8.735 ( -11.195 -18.579 3.682) 22.002 8.936 ( 4.758 11.127 10.579) 16.074 9.113 ( -1.667 -23.524 0.256) 23.585 9.635 ( 0.471 -17.536 4.925) 18.220 11.336 ( -1.248 1.531 3.842) 4.320 11.556 ( -2.151 -10.103 5.855) 11.873 12.755 ( -3.445 6.546 -3.396) 8.140 12.939 ( -6.935 -2.240 -2.438) 7.685 13.508 ( -4.955 7.861 1.324) 9.387 13.688 ( 0.652 2.374 6.223) 6.692 13.886 ( -0.491 5.816 5.900) 8.299 14.404 ( -4.435 -10.913 15.000) 19.073 15.164 ( 3.218 7.842 0.891) 8.524 15.364 ( 2.424 -0.106 -0.982) 2.617 16.366 ( -0.127 24.481 12.671) 27.567 17.304 ( -0.254 -14.956 9.884) 17.928 18.759 ( 2.241 8.307 -4.503) 9.711 19.099 ( 2.981 -7.642 -7.241) 10.942 19.592 ( -1.317 -6.316 -0.205) 6.456 19.878 ( 0.263 -20.487 1.442) 20.539 21.802 ( 1.154 12.047 -11.464) 16.670 22.152 ( -5.129 -4.121 -6.292) 9.104 23.608 ( 4.183 1.314 -5.850) 7.311 23.671 ( 1.439 -0.933 -8.667) 8.835 ======================= Grid point 162 (78/312) ======================= q-point: ( 0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 7.853 29.921 18.936) 36.270 3.845 ( 3.809 35.821 8.808) 37.084 4.400 ( 6.972 -18.344 14.512) 24.407 5.192 ( -1.592 -25.805 6.745) 26.719 5.770 ( -12.979 11.574 -4.026) 17.850 6.163 ( -13.074 -2.917 -6.332) 14.817 6.566 ( 2.343 35.279 7.356) 36.114 6.985 ( 9.389 28.462 -16.040) 33.992 7.230 ( 7.946 24.849 5.788) 26.723 7.479 ( -5.077 -6.182 1.511) 8.141 8.107 ( 5.893 -4.151 -2.417) 7.602 8.452 ( 3.020 -0.990 -8.742) 9.302 8.592 ( -2.174 -22.708 2.802) 22.983 9.047 ( -0.621 3.990 7.834) 8.814 9.099 ( 3.850 -17.791 0.330) 18.205 9.668 ( 0.863 -14.673 4.079) 15.254 11.357 ( 2.226 1.577 5.409) 6.058 11.575 ( 2.070 -9.395 8.057) 12.549 12.627 ( -6.685 3.997 -12.386) 14.631 12.765 ( -7.492 -2.792 -9.215) 12.200 13.397 ( -8.519 12.856 11.545) 19.265 13.766 ( 1.962 -4.827 4.808) 7.090 13.969 ( 7.331 7.112 9.127) 13.698 14.318 ( -4.062 -6.067 14.219) 15.984 15.333 ( 10.300 6.803 1.045) 12.388 15.455 ( 6.695 3.972 -5.829) 9.725 16.422 ( 1.102 23.271 14.995) 27.706 17.318 ( -2.044 -14.736 10.412) 18.159 18.779 ( 0.849 7.750 -3.239) 8.442 19.116 ( 0.925 -7.392 -6.775) 10.070 19.452 ( -11.846 -4.995 -0.895) 12.887 19.825 ( -5.918 -23.387 3.014) 24.311 21.692 ( -7.875 11.578 -10.336) 17.404 22.043 ( -2.324 -4.926 -11.803) 13.000 23.566 ( -2.825 4.681 -5.815) 7.982 23.748 ( 5.372 -3.717 -6.443) 9.175 ======================= Grid point 163 (79/312) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 11.632 28.243 17.760) 35.333 3.957 ( 4.477 29.018 7.855) 30.394 4.625 ( 9.733 -15.302 12.950) 22.284 5.076 ( -12.113 -16.101 3.807) 20.505 5.460 ( -14.444 2.992 -7.579) 16.584 5.865 ( -13.111 -13.380 -3.123) 18.992 6.681 ( 0.878 21.603 7.437) 22.864 6.965 ( -2.508 26.184 -0.872) 26.318 7.443 ( 2.527 13.040 9.670) 16.430 7.536 ( 16.538 22.203 -6.864) 28.524 8.152 ( 1.039 1.386 -7.798) 7.988 8.433 ( -0.732 -10.001 -5.717) 11.543 8.666 ( 5.979 -15.840 -3.279) 17.246 9.014 ( -0.916 -15.002 -2.507) 15.238 9.243 ( 6.911 2.012 8.313) 10.996 9.695 ( 0.950 -12.053 1.933) 12.244 11.464 ( 5.709 2.554 7.087) 9.452 11.696 ( 6.216 -8.121 11.684) 15.528 12.419 ( -8.296 2.008 -15.534) 17.725 12.599 ( -4.910 -6.035 -12.414) 14.650 13.277 ( -8.022 13.280 19.288) 24.753 13.721 ( -8.850 -6.961 15.431) 19.102 14.209 ( 12.133 8.076 8.458) 16.851 14.469 ( 13.989 -0.565 8.167) 16.209 15.514 ( 7.385 7.035 -1.846) 10.365 15.559 ( 6.212 8.065 -11.178) 15.119 16.517 ( 2.910 21.105 15.141) 26.137 17.293 ( -3.947 -13.156 9.365) 16.625 18.750 ( -3.594 6.864 -3.089) 8.341 19.068 ( -3.961 -7.907 -9.117) 12.702 19.163 ( -14.715 -1.899 1.348) 14.898 19.693 ( -7.984 -27.005 5.756) 28.743 21.463 ( -10.367 14.660 -8.529) 19.878 21.964 ( -1.371 -10.451 -13.251) 16.932 23.490 ( -2.570 7.313 -5.749) 9.651 23.806 ( 2.552 -7.322 -5.900) 9.743 ======================= Grid point 164 (80/312) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.845 ( 5.814 24.005 15.345) 29.077 4.121 ( 10.270 18.271 7.128) 22.139 4.737 ( -11.112 -7.336 7.243) 15.158 4.903 ( 2.868 -11.273 3.175) 12.058 5.146 ( -11.842 0.923 -9.586) 15.263 5.646 ( -8.851 -19.225 -0.366) 21.168 6.576 ( -9.003 15.593 -3.377) 18.320 6.889 ( -7.737 7.516 8.038) 13.452 7.687 ( 14.716 26.652 14.945) 33.915 7.774 ( 10.041 16.334 -13.393) 23.388 8.119 ( -0.864 3.729 -8.168) 9.020 8.406 ( -0.408 -5.955 -3.667) 7.006 8.758 ( 5.029 -9.031 -2.771) 10.702 9.025 ( 2.485 -11.778 1.012) 12.080 9.410 ( 6.715 1.723 5.898) 9.102 9.724 ( 1.406 -9.323 1.092) 9.492 11.603 ( 5.050 4.330 6.019) 8.971 11.888 ( 7.968 -6.884 13.857) 17.404 12.216 ( -6.728 0.981 -11.845) 13.658 12.500 ( -0.544 -10.313 -9.511) 14.040 13.230 ( -4.173 11.869 23.483) 26.641 13.587 ( -9.947 -3.510 19.710) 22.355 14.472 ( 10.518 10.205 6.583) 16.066 14.834 ( 17.754 -2.189 6.314) 18.970 15.613 ( 3.176 9.655 -8.140) 13.022 15.633 ( 6.842 11.571 -8.989) 16.171 16.625 ( 2.457 18.149 11.347) 21.545 17.229 ( -5.169 -11.144 7.091) 14.184 18.566 ( -13.166 4.442 -4.022) 14.466 18.875 ( -8.318 -10.686 -9.157) 16.348 18.976 ( -6.996 2.290 2.474) 7.766 19.568 ( -6.654 -27.460 7.374) 29.201 21.257 ( -6.995 16.948 -6.557) 19.472 21.899 ( -0.536 -15.921 -11.063) 19.395 23.426 ( -1.730 7.894 -6.411) 10.316 23.812 ( 0.398 -9.957 -6.241) 11.758 ======================= Grid point 165 (81/312) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.950 ( 0.714 10.359 11.308) 15.352 4.292 ( -1.977 -3.202 5.820) 6.931 4.582 ( 1.551 9.458 -0.545) 9.600 4.810 ( -7.678 8.429 -0.319) 11.406 5.125 ( 5.208 -8.738 0.030) 10.172 5.477 ( -7.638 -16.648 -2.808) 18.531 6.391 ( -6.652 11.017 -4.948) 13.788 6.740 ( -8.165 3.473 5.090) 10.229 7.823 ( 0.436 7.987 -20.236) 21.760 7.947 ( 3.960 17.119 4.306) 18.091 8.137 ( 5.816 5.117 3.608) 8.546 8.388 ( -0.375 1.473 -1.663) 2.253 8.894 ( 8.624 0.113 5.314) 10.130 9.106 ( 3.396 -6.487 8.451) 11.182 9.532 ( 3.695 1.026 1.954) 4.303 9.751 ( 0.718 -7.099 0.836) 7.184 11.687 ( 1.431 4.984 3.599) 6.312 12.039 ( -2.744 -10.307 -0.426) 10.674 12.133 ( 6.157 5.821 8.997) 12.359 12.525 ( 4.819 -11.412 -0.461) 12.397 13.253 ( -2.934 9.432 24.474) 26.392 13.473 ( -8.018 1.044 19.005) 20.653 14.638 ( 3.781 10.207 2.610) 11.194 15.136 ( 8.057 -9.734 4.089) 13.281 15.656 ( 5.657 17.822 -7.113) 20.005 15.769 ( 9.378 13.815 -4.023) 17.175 16.663 ( -2.061 15.629 4.184) 16.310 17.139 ( -5.771 -9.831 3.918) 12.055 18.297 ( -9.917 2.899 -3.498) 10.908 18.696 ( -6.333 -16.645 -6.976) 19.126 18.869 ( -4.369 6.655 0.284) 7.966 19.477 ( -4.829 -25.101 6.948) 26.488 21.146 ( -2.201 17.968 -4.595) 18.677 21.879 ( 1.934 -19.807 -6.757) 21.017 23.375 ( -0.819 7.429 -7.644) 10.691 23.787 ( -0.340 -11.572 -7.275) 13.674 ======================= Grid point 166 (82/312) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.931 ( -6.578 2.999 6.612) 9.797 4.194 ( -2.726 -9.211 -1.204) 9.681 4.636 ( -1.118 13.131 1.012) 13.217 4.793 ( 3.216 9.246 4.666) 10.845 5.183 ( 0.365 -3.237 1.091) 3.436 5.361 ( -0.285 -15.286 -6.258) 16.520 6.300 ( -0.272 7.228 -7.022) 10.081 6.649 ( -1.913 5.543 5.104) 7.774 7.666 ( -7.835 6.658 -20.653) 23.071 7.976 ( 1.176 4.004 -5.879) 7.210 8.263 ( 3.683 8.093 3.642) 9.609 8.380 ( -1.021 7.437 4.410) 8.706 9.086 ( 4.834 3.875 10.891) 12.530 9.228 ( 5.270 -5.515 16.943) 18.581 9.561 ( -1.178 1.291 -0.269) 1.768 9.754 ( -0.436 -6.515 -0.494) 6.548 11.683 ( -2.568 4.134 1.189) 5.010 11.944 ( -4.927 -6.215 0.081) 7.931 12.345 ( 8.759 3.897 15.170) 17.945 12.687 ( 9.515 -10.452 8.905) 16.706 13.240 ( -7.254 9.595 23.293) 26.215 13.417 ( -3.853 3.154 17.941) 18.620 14.633 ( -4.165 8.319 -1.984) 9.513 15.144 ( -6.075 -13.852 -2.739) 15.371 15.808 ( 8.776 22.760 1.827) 24.461 15.960 ( 8.093 15.458 3.672) 17.831 16.563 ( -7.903 13.842 -3.633) 16.348 17.032 ( -4.632 -10.380 -0.914) 11.403 18.200 ( 1.604 1.422 -2.069) 2.979 18.605 ( 0.085 -17.293 -6.331) 18.416 18.805 ( -1.432 6.198 -1.866) 6.630 19.430 ( -1.879 -23.131 5.268) 23.798 21.130 ( 1.934 19.410 -2.858) 19.714 21.933 ( 4.870 -21.771 -1.882) 22.388 23.339 ( 0.168 6.911 -9.050) 11.389 23.755 ( 0.162 -12.291 -8.783) 15.107 ======================= Grid point 167 (83/312) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( -7.728 12.734 2.425) 15.091 4.187 ( -1.748 -2.992 1.260) 3.687 4.502 ( -7.720 8.147 -1.615) 11.339 4.881 ( 0.507 -2.633 2.283) 3.521 5.223 ( 5.917 -4.211 3.006) 7.860 5.431 ( 8.112 -15.256 -3.927) 17.719 6.336 ( 6.675 12.047 -10.124) 17.093 6.686 ( 2.371 8.646 7.029) 11.392 7.399 ( -11.168 13.039 -17.024) 24.178 7.963 ( 0.122 -3.169 -10.125) 10.610 8.298 ( -0.874 5.387 -3.547) 6.509 8.393 ( 0.625 13.138 11.569) 17.516 9.147 ( -2.136 2.864 13.584) 14.046 9.375 ( 0.702 -7.112 17.529) 18.930 9.484 ( -6.106 -0.039 -0.727) 6.150 9.743 ( -0.021 -8.344 -0.724) 8.375 11.603 ( -5.251 3.536 0.236) 6.335 11.840 ( -6.273 -7.092 4.215) 10.364 12.587 ( 9.861 6.423 15.642) 19.575 12.926 ( 7.837 -8.533 13.534) 17.816 13.171 ( -5.044 11.044 22.676) 25.722 13.429 ( -1.375 1.590 18.517) 18.636 14.475 ( -10.003 6.885 -4.210) 12.853 14.929 ( -13.146 -12.643 -5.813) 19.143 15.937 ( -0.404 19.542 8.990) 21.515 16.068 ( 1.013 14.477 7.393) 16.287 16.343 ( -10.296 14.910 -10.211) 20.798 16.996 ( 2.289 -11.951 -2.955) 12.522 18.326 ( 10.697 0.183 -2.024) 10.889 18.649 ( 5.759 -8.118 -8.697) 13.218 18.822 ( 4.755 -1.238 -1.305) 5.084 19.439 ( 1.265 -22.279 2.772) 22.487 21.206 ( 6.305 21.240 -1.034) 22.180 22.049 ( 6.371 -21.641 1.733) 22.626 23.321 ( 1.468 6.802 -10.217) 12.362 23.735 ( 1.207 -12.175 -10.304) 15.995 ======================= Grid point 168 (84/312) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.655 ( -7.553 24.988 4.825) 26.547 3.985 ( -14.689 18.188 2.164) 23.479 4.528 ( 6.534 -9.900 -1.952) 12.022 4.782 ( -6.285 -14.724 -1.222) 16.056 5.440 ( 11.492 -4.445 2.964) 12.673 5.655 ( 15.204 -13.907 0.125) 20.606 6.430 ( 3.645 19.956 -11.694) 23.415 6.764 ( 3.636 11.911 5.825) 13.749 7.156 ( -6.471 19.578 -11.266) 23.497 7.904 ( -2.436 -1.238 -11.240) 11.567 8.220 ( -5.409 0.324 0.164) 5.421 8.485 ( 4.721 10.922 7.657) 14.149 9.083 ( -9.972 7.741 12.238) 17.582 9.322 ( -8.576 -2.983 6.306) 11.055 9.372 ( -5.124 -12.913 4.121) 14.491 9.739 ( -1.562 -13.659 2.449) 13.964 11.492 ( -5.752 3.471 1.829) 6.963 11.732 ( -6.072 -8.362 6.984) 12.473 12.816 ( 5.459 7.364 13.354) 16.198 12.985 ( -1.755 4.848 11.029) 12.175 13.290 ( 3.906 3.056 27.567) 28.009 13.546 ( 8.774 -2.210 16.628) 18.930 14.224 ( -13.071 5.404 -3.853) 14.659 14.600 ( -16.994 -10.427 -6.579) 20.995 15.829 ( -11.031 9.006 6.173) 15.520 15.946 ( -14.819 5.322 -2.712) 15.978 16.240 ( 2.221 25.953 0.203) 26.049 17.079 ( 5.278 -11.885 1.106) 13.051 18.560 ( 11.474 2.455 -3.875) 12.357 18.736 ( 7.307 0.307 -9.356) 11.875 19.006 ( 12.871 -8.878 -0.809) 15.657 19.501 ( 4.511 -21.630 0.919) 22.115 21.370 ( 9.995 21.653 -0.509) 23.854 22.180 ( 5.390 -19.242 3.077) 20.218 23.331 ( 3.375 6.907 -10.757) 13.221 23.730 ( 1.913 -11.188 -11.134) 15.899 ======================= Grid point 169 (85/312) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( -15.084 28.890 11.243) 34.476 3.797 ( -4.209 30.598 0.296) 30.888 4.458 ( -10.986 -18.763 6.821) 22.787 4.865 ( 11.585 -17.447 -4.065) 21.333 5.655 ( 9.743 0.463 0.014) 9.754 6.002 ( 17.291 -12.645 1.138) 21.451 6.372 ( -2.974 31.687 -7.016) 32.590 6.885 ( 5.790 16.202 -1.620) 17.282 7.079 ( 1.525 16.653 -8.257) 18.650 7.787 ( -5.587 6.759 -6.004) 10.627 8.103 ( -6.335 -8.718 -0.283) 10.780 8.625 ( 6.323 4.973 7.432) 10.952 8.835 ( -16.119 13.048 5.833) 21.543 9.173 ( -9.328 -7.864 7.832) 14.498 9.264 ( -6.326 -15.492 1.727) 16.823 9.686 ( -3.971 -18.916 2.439) 19.481 11.403 ( -3.916 3.429 4.138) 6.650 11.653 ( -4.518 -9.630 8.143) 13.396 12.843 ( -3.483 8.942 9.523) 13.520 13.038 ( 0.657 1.036 8.130) 8.222 13.480 ( 6.215 9.463 25.440) 27.846 13.809 ( 5.001 2.372 1.320) 5.691 13.992 ( -4.572 -4.032 11.310) 12.848 14.241 ( -14.624 -7.796 -5.862) 17.578 15.588 ( -15.889 3.453 1.559) 16.335 15.613 ( -12.875 3.221 -5.868) 14.511 16.294 ( 1.076 26.091 6.973) 27.028 17.184 ( 3.695 -12.646 5.343) 14.217 18.683 ( 4.028 8.261 -6.552) 11.288 18.911 ( 10.644 -5.075 -7.809) 14.143 19.276 ( 13.358 -7.218 -0.284) 15.186 19.634 ( 8.276 -20.635 0.640) 22.242 21.577 ( 10.534 19.830 -3.043) 22.659 22.266 ( 1.802 -14.686 1.849) 14.911 23.386 ( 5.853 6.385 -10.228) 13.403 23.727 ( 1.528 -9.085 -10.740) 14.150 ======================= Grid point 170 (86/312) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( -10.242 30.644 14.993) 35.619 3.753 ( -1.755 38.317 4.260) 38.593 4.296 ( -7.132 -21.776 11.029) 25.431 5.050 ( 6.532 -24.164 1.113) 25.056 5.826 ( 6.968 15.088 -2.066) 16.747 6.286 ( 12.024 5.295 -5.102) 14.094 6.402 ( 7.419 20.177 -0.664) 21.508 6.873 ( -6.222 24.633 -6.273) 26.169 7.141 ( 5.726 13.882 -7.013) 16.573 7.691 ( -1.229 -0.457 -5.460) 5.615 7.956 ( -7.977 -8.006 4.464) 12.151 8.557 ( -10.622 5.992 1.022) 12.238 8.783 ( 5.578 6.378 9.429) 12.677 8.981 ( -12.183 -9.763 5.210) 16.459 9.159 ( -4.005 -18.580 2.055) 19.117 9.632 ( -1.911 -20.033 3.294) 20.391 11.359 ( -2.309 2.508 4.387) 5.555 11.598 ( -3.821 -10.249 6.900) 12.932 12.807 ( -2.500 8.479 4.292) 9.826 13.035 ( -3.175 -1.598 5.295) 6.377 13.605 ( -3.087 3.969 0.512) 5.054 13.715 ( -4.410 15.457 11.822) 19.953 13.920 ( -6.339 -7.343 -1.565) 9.826 14.280 ( 9.692 -8.218 15.885) 20.342 15.274 ( -12.465 5.218 -2.284) 13.705 15.408 ( -6.760 -0.894 -0.688) 6.854 16.331 ( -0.163 25.400 9.972) 27.288 17.260 ( 1.529 -14.001 8.147) 16.271 18.726 ( 2.837 8.706 -5.924) 10.906 19.044 ( 5.570 -7.153 -7.844) 11.988 19.509 ( 8.911 -6.278 0.201) 10.902 19.800 ( 6.798 -19.743 0.891) 20.900 21.744 ( 7.508 16.202 -7.941) 19.543 22.255 ( -2.943 -8.873 -1.519) 9.471 23.491 ( 7.709 4.322 -8.496) 12.259 23.708 ( -0.029 -5.409 -9.433) 10.874 ======================= Grid point 171 (87/312) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( -0.399 -27.533 14.711) 31.219 3.764 ( -0.399 27.533 14.711) 31.219 4.522 ( 2.233 -34.967 6.950) 35.721 4.522 ( 2.233 34.967 6.950) 35.721 6.206 ( -1.471 -12.037 -3.885) 12.733 6.206 ( -1.471 12.037 -3.885) 12.733 7.188 ( 4.189 -13.137 -2.858) 14.082 7.188 ( 4.189 13.137 -2.858) 14.082 7.271 ( 5.373 -11.144 -11.851) 17.132 7.271 ( 5.373 11.144 -11.851) 17.132 8.170 ( -4.364 -27.183 6.446) 28.276 8.170 ( -4.364 27.183 6.446) 28.276 8.685 ( -6.751 -13.767 -1.542) 15.410 8.685 ( -6.751 13.767 -1.542) 15.410 9.276 ( 2.225 -18.008 10.951) 21.193 9.276 ( 2.225 18.008 10.951) 21.193 11.402 ( -1.800 -5.419 5.354) 7.828 11.402 ( -1.800 5.419 5.354) 7.828 12.866 ( -5.432 -4.769 -5.075) 8.832 12.866 ( -5.432 4.769 -5.075) 8.832 13.635 ( -1.093 -5.367 1.201) 5.608 13.635 ( -1.093 5.367 1.201) 5.608 14.135 ( -3.379 -15.153 15.516) 21.949 14.135 ( -3.379 15.153 15.516) 21.949 15.300 ( 3.430 -5.582 1.195) 6.660 15.300 ( 3.430 5.582 1.195) 6.660 16.893 ( -0.394 -25.833 10.756) 27.985 16.893 ( -0.394 25.833 10.756) 27.985 18.932 ( 2.521 -8.866 -6.407) 11.225 18.932 ( 2.521 8.866 -6.407) 11.225 19.597 ( -0.933 -7.290 1.176) 7.443 19.597 ( -0.933 7.290 1.176) 7.443 22.017 ( -2.112 -9.248 -8.901) 13.008 22.017 ( -2.112 9.248 -8.901) 13.008 23.641 ( 3.133 -1.832 -7.372) 8.217 23.641 ( 3.133 1.832 -7.372) 8.217 ======================= Grid point 173 (88/312) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( 6.462 -25.496 15.317) 30.437 3.882 ( 6.462 25.496 15.317) 30.437 4.602 ( 2.430 -32.416 8.297) 33.549 4.602 ( 2.430 32.416 8.297) 33.549 5.991 ( -16.413 -10.833 -4.943) 20.277 5.991 ( -16.413 10.833 -4.943) 20.277 7.121 ( -3.174 -20.237 -0.657) 20.495 7.121 ( -3.174 20.237 -0.657) 20.495 7.550 ( 16.832 -8.383 -8.771) 20.749 7.550 ( 16.832 8.383 -8.771) 20.749 8.129 ( -1.463 -17.532 7.162) 18.995 8.129 ( -1.463 17.532 7.162) 18.995 8.603 ( -0.134 -16.663 -7.706) 18.359 8.603 ( -0.134 16.663 -7.706) 18.359 9.363 ( 2.478 -15.732 10.001) 18.805 9.363 ( 2.478 15.732 10.001) 18.805 11.426 ( 2.488 -5.535 7.208) 9.423 11.426 ( 2.488 5.535 7.208) 9.423 12.700 ( -7.617 -3.541 -13.420) 15.832 12.700 ( -7.617 3.541 -13.420) 15.832 13.624 ( -4.368 -9.571 9.944) 14.476 13.624 ( -4.368 9.571 9.944) 14.476 14.148 ( 3.293 -9.976 12.762) 16.530 14.148 ( 3.293 9.976 12.762) 16.530 15.446 ( 9.136 -3.990 -0.422) 9.978 15.446 ( 9.136 3.990 -0.422) 9.978 16.923 ( -0.539 -24.583 12.010) 27.365 16.923 ( -0.539 24.583 12.010) 27.365 18.949 ( 1.037 -9.008 -5.875) 10.805 18.949 ( 1.037 9.008 -5.875) 10.805 19.491 ( -9.513 -9.486 1.549) 13.523 19.491 ( -9.513 9.486 1.549) 13.523 21.900 ( -5.558 -9.165 -11.230) 15.524 21.900 ( -5.558 9.165 -11.230) 15.524 23.662 ( 1.230 -4.793 -6.134) 7.882 23.662 ( 1.230 4.793 -6.134) 7.882 ======================= Grid point 175 (89/312) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( 8.712 -20.353 14.535) 26.484 4.100 ( 8.712 20.353 14.535) 26.484 4.649 ( -0.496 -23.287 6.435) 24.165 4.649 ( -0.496 23.287 6.435) 24.165 5.611 ( -17.845 -11.133 -4.897) 21.595 5.611 ( -17.845 11.133 -4.897) 21.595 7.030 ( -6.638 -12.230 -0.151) 13.916 7.030 ( -6.638 12.230 -0.151) 13.916 7.830 ( 13.326 -7.740 -4.448) 16.039 7.830 ( 13.326 7.740 -4.448) 16.039 8.162 ( 1.519 -6.848 5.969) 9.210 8.162 ( 1.519 6.848 5.969) 9.210 8.619 ( 5.144 -12.404 -10.537) 17.069 8.619 ( 5.144 12.404 -10.537) 17.069 9.447 ( 3.084 -12.550 7.301) 14.843 9.447 ( 3.084 12.550 7.301) 14.843 11.552 ( 6.626 -6.139 9.907) 13.407 11.552 ( 6.626 6.139 9.907) 13.407 12.487 ( -7.720 -4.819 -16.340) 18.704 12.487 ( -7.720 4.819 -16.340) 18.704 13.530 ( -8.633 -11.784 19.319) 24.220 13.530 ( -8.633 11.784 19.319) 24.220 14.375 ( 13.722 -7.777 9.186) 18.252 14.375 ( 13.722 7.777 9.186) 18.252 15.615 ( 8.232 -2.300 -5.121) 9.964 15.615 ( 8.232 2.300 -5.121) 9.964 16.953 ( -0.846 -21.008 11.947) 24.182 16.953 ( -0.846 21.008 11.947) 24.182 18.905 ( -4.460 -8.315 -6.908) 11.695 18.905 ( -4.460 8.315 -6.908) 11.695 19.275 ( -11.160 -13.747 4.022) 18.158 19.275 ( -11.160 13.747 4.022) 18.158 21.735 ( -6.519 -12.701 -11.201) 18.146 21.735 ( -6.519 12.701 -11.201) 18.146 23.648 ( -0.418 -8.334 -5.926) 10.235 23.648 ( -0.418 8.334 -5.926) 10.235 ======================= Grid point 177 (90/312) ======================= q-point: ( 0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( -2.079 -11.606 12.192) 16.961 4.239 ( -2.079 11.606 12.192) 16.961 4.688 ( 5.298 -7.453 2.961) 9.612 4.688 ( 5.298 7.453 2.961) 9.612 5.292 ( -12.053 -14.179 -3.179) 18.879 5.292 ( -12.053 14.179 -3.179) 18.879 6.854 ( -9.708 -10.000 -3.257) 14.312 6.854 ( -9.708 10.000 -3.257) 14.312 8.019 ( 5.484 -9.007 -7.128) 12.729 8.019 ( 5.484 9.007 -7.128) 12.729 8.212 ( 2.202 -14.773 8.341) 17.108 8.212 ( 2.202 14.773 8.341) 17.108 8.748 ( 10.348 -9.964 -5.318) 15.318 8.748 ( 10.348 9.964 -5.318) 15.318 9.538 ( 3.608 -8.939 4.820) 10.777 9.538 ( 3.608 8.939 4.820) 10.777 11.729 ( 6.551 -7.971 9.624) 14.110 11.729 ( 6.551 7.971 9.624) 14.110 12.313 ( -3.719 -7.929 -11.103) 14.141 12.313 ( -3.719 7.929 -11.103) 14.141 13.448 ( -6.768 -9.677 22.844) 25.715 13.448 ( -6.768 9.677 22.844) 25.715 14.688 ( 12.905 -10.625 7.311) 18.245 14.688 ( 12.905 10.625 7.311) 18.245 15.743 ( 7.601 -1.626 -8.491) 11.512 15.743 ( 7.601 1.626 -8.491) 11.512 16.966 ( -1.914 -15.640 9.462) 18.379 16.966 ( -1.914 15.640 9.462) 18.379 18.694 ( -12.941 -8.096 -6.163) 16.462 18.694 ( -12.941 8.096 -6.163) 16.462 19.132 ( -5.005 -14.893 4.865) 16.448 19.132 ( -5.005 14.893 4.865) 16.448 21.583 ( -4.544 -16.109 -9.227) 19.113 21.583 ( -4.544 16.109 -9.227) 19.113 23.608 ( -1.196 -10.226 -6.606) 12.233 23.608 ( -1.196 10.226 -6.606) 12.233 ======================= Grid point 179 (91/312) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.138 ( -8.369 -9.114 6.282) 13.877 4.138 ( -8.369 9.114 6.282) 13.877 4.849 ( 7.165 -13.841 1.080) 15.623 4.849 ( 7.165 13.841 1.080) 15.623 5.117 ( -4.888 -17.601 0.410) 18.272 5.117 ( -4.888 17.601 0.410) 18.272 6.653 ( -7.581 -11.675 -6.277) 15.270 6.653 ( -7.581 11.675 -6.277) 15.270 7.988 ( -2.842 -8.919 -13.431) 16.371 7.988 ( -2.842 8.919 -13.431) 16.371 8.323 ( 3.906 -10.384 11.435) 15.932 8.323 ( 3.906 10.384 11.435) 15.932 8.962 ( 10.124 -7.047 4.178) 13.023 8.962 ( 10.124 7.047 4.178) 13.023 9.611 ( 2.140 -6.378 2.337) 7.122 9.611 ( 2.140 6.378 2.337) 7.122 11.832 ( 0.590 -9.328 3.775) 10.080 11.832 ( 0.590 9.328 3.775) 10.080 12.304 ( 4.760 -10.354 2.323) 11.630 12.304 ( 4.760 10.354 2.323) 11.630 13.413 ( -5.196 -6.226 23.184) 24.562 13.413 ( -5.196 6.226 23.184) 24.562 14.883 ( 3.779 -13.802 2.774) 14.577 14.883 ( 3.779 13.802 2.774) 14.577 15.893 ( 10.380 -3.111 -5.547) 12.173 15.893 ( 10.380 3.111 -5.547) 12.173 16.930 ( -4.431 -11.610 4.085) 13.081 16.930 ( -4.431 11.610 4.085) 13.081 18.427 ( -10.323 -10.296 -3.662) 15.033 18.427 ( -10.323 10.296 -3.662) 15.033 19.071 ( -2.949 -14.936 3.318) 15.582 19.071 ( -2.949 14.936 3.318) 15.582 21.503 ( -0.594 -18.307 -5.989) 19.271 21.503 ( -0.594 18.307 -5.989) 19.271 23.560 ( -0.958 -10.880 -7.946) 13.507 23.560 ( -0.958 10.880 -7.946) 13.507 ======================= Grid point 181 (92/312) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.024 ( -3.616 -6.900 2.120) 8.073 4.024 ( -3.616 6.900 2.120) 8.073 4.915 ( -1.787 -11.442 0.167) 11.582 4.915 ( -1.787 11.442 0.167) 11.582 5.083 ( 1.106 -10.881 1.410) 11.028 5.083 ( 1.106 10.881 1.410) 11.028 6.554 ( 0.768 -13.136 -7.068) 14.936 6.554 ( 0.768 13.136 -7.068) 14.936 7.860 ( -4.728 -11.771 -13.679) 18.655 7.860 ( -4.728 11.771 -13.679) 18.655 8.421 ( 2.218 -5.336 8.566) 10.333 8.421 ( 2.218 5.336 8.566) 10.333 9.145 ( 4.717 -2.598 12.065) 13.212 9.145 ( 4.717 2.598 12.065) 13.212 9.630 ( -0.868 -5.485 0.429) 5.570 9.630 ( -0.868 5.485 0.429) 5.570 11.800 ( -3.825 -7.245 1.002) 8.254 11.800 ( -3.825 7.245 1.002) 8.254 12.486 ( 9.595 -9.314 12.586) 18.364 12.486 ( 9.595 9.314 12.586) 18.364 13.390 ( -5.439 -5.095 22.802) 23.989 13.390 ( -5.439 5.095 22.802) 23.989 14.858 ( -5.345 -13.859 -3.758) 15.322 14.858 ( -5.345 13.859 -3.758) 15.322 16.099 ( 9.105 -3.785 3.124) 10.343 16.099 ( 9.105 3.785 3.124) 10.343 16.811 ( -7.151 -11.786 -3.219) 14.157 16.811 ( -7.151 11.786 -3.219) 14.157 18.305 ( -0.039 -10.149 -2.548) 10.464 18.305 ( -0.039 10.149 -2.548) 10.464 19.037 ( -1.113 -15.939 1.591) 16.057 19.037 ( -1.113 15.939 1.591) 16.057 21.519 ( 3.662 -20.081 -2.401) 20.553 21.519 ( 3.662 20.081 -2.401) 20.553 23.519 ( 0.114 -11.009 -9.612) 14.615 23.519 ( 0.114 11.009 -9.612) 14.615 ======================= Grid point 183 (93/312) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( 2.570 -10.905 0.669) 11.224 4.020 ( 2.570 10.905 0.669) 11.224 4.754 ( -12.807 -12.148 -0.528) 17.660 4.754 ( -12.807 12.148 -0.528) 17.660 5.198 ( 9.533 -6.156 1.079) 11.399 5.198 ( 9.533 6.156 1.079) 11.399 6.623 ( 7.383 -12.669 -6.201) 15.920 6.623 ( 7.383 12.669 -6.201) 15.920 7.713 ( -4.856 -17.355 -13.303) 22.400 7.713 ( -4.856 17.355 -13.303) 22.400 8.470 ( 0.030 -5.798 6.261) 8.533 8.470 ( 0.030 5.798 6.261) 8.533 9.222 ( -1.866 -5.539 15.012) 16.109 9.222 ( -1.866 5.539 15.012) 16.109 9.578 ( -4.456 -7.591 0.224) 8.805 9.578 ( -4.456 7.591 0.224) 8.805 11.703 ( -6.056 -6.294 2.155) 8.996 11.703 ( -6.056 6.294 2.155) 8.996 12.744 ( 10.300 -9.075 16.153) 21.199 12.744 ( 10.300 9.075 16.153) 21.199 13.362 ( -4.680 -7.408 23.079) 24.687 13.362 ( -4.680 7.408 23.079) 24.687 14.671 ( -10.851 -12.367 -7.403) 18.041 14.671 ( -10.851 12.367 -7.403) 18.041 16.184 ( -5.149 -3.801 7.484) 9.847 16.184 ( -5.149 3.801 7.484) 9.847 16.690 ( -0.653 -18.536 -6.015) 19.498 16.690 ( -0.653 18.536 -6.015) 19.498 18.404 ( 10.212 -8.958 -3.744) 14.091 18.404 ( 10.212 8.958 -3.744) 14.091 19.045 ( 1.706 -16.897 0.439) 16.989 19.045 ( 1.706 16.897 0.439) 16.989 21.626 ( 7.046 -21.227 0.430) 22.370 21.626 ( 7.046 21.227 0.430) 22.370 23.500 ( 1.643 -11.002 -11.122) 15.730 23.500 ( 1.643 11.002 -11.122) 15.730 ======================= Grid point 185 (94/312) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.089 ( 0.923 -15.187 4.510) 15.869 4.089 ( 0.923 15.187 4.510) 15.869 4.484 ( -10.597 -12.572 -3.583) 16.828 4.484 ( -10.597 12.572 -3.583) 16.828 5.447 ( 14.382 -5.957 1.499) 15.639 5.447 ( 14.382 5.957 1.499) 15.639 6.756 ( 7.000 -10.957 -5.997) 14.319 6.756 ( 7.000 10.957 -5.997) 14.319 7.588 ( -2.582 -22.376 -13.023) 26.018 7.588 ( -2.582 22.376 -13.023) 26.018 8.461 ( -3.392 -12.735 6.305) 14.609 8.461 ( -3.392 12.735 6.305) 14.609 9.186 ( -6.188 -4.809 13.512) 15.621 9.186 ( -6.188 4.809 13.512) 15.621 9.451 ( -8.396 -14.011 0.639) 16.347 9.451 ( -8.396 14.011 0.639) 16.347 11.588 ( -6.251 -6.130 4.576) 9.879 11.588 ( -6.251 6.130 4.576) 9.879 12.952 ( 3.576 -5.861 13.283) 14.952 12.952 ( 3.576 5.861 13.283) 14.952 13.426 ( 4.389 -8.647 25.035) 26.848 13.426 ( 4.389 8.647 25.035) 26.848 14.388 ( -14.279 -10.335 -8.130) 19.411 14.388 ( -14.279 10.335 -8.130) 19.411 15.964 ( -15.605 -3.535 0.643) 16.014 15.964 ( -15.605 3.535 0.643) 16.014 16.737 ( 3.889 -22.501 1.834) 22.908 16.737 ( 3.889 22.501 1.834) 22.908 18.635 ( 12.856 -6.739 -6.243) 15.801 18.635 ( 12.856 6.739 -6.243) 15.801 19.121 ( 6.143 -15.731 0.921) 16.913 19.121 ( 6.143 15.731 0.921) 16.913 21.789 ( 8.431 -20.473 1.303) 22.180 21.789 ( 8.431 20.473 1.303) 22.180 23.508 ( 3.181 -10.626 -11.861) 16.239 23.508 ( 3.181 10.626 -11.861) 16.239 ======================= Grid point 187 (95/312) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.984 ( -12.006 -23.823 9.760) 28.407 3.984 ( -12.006 23.823 9.760) 28.407 4.414 ( 2.911 -26.075 -3.097) 26.419 4.414 ( 2.911 26.075 -3.097) 26.419 5.766 ( 16.615 -9.887 0.292) 19.337 5.766 ( 16.615 9.887 0.292) 19.337 6.853 ( 5.650 -15.570 -6.472) 17.783 6.853 ( 5.650 15.570 -6.472) 17.783 7.518 ( -0.638 -23.723 -13.445) 27.275 7.518 ( -0.638 23.723 -13.445) 27.275 8.375 ( -7.494 -22.829 8.510) 25.490 8.375 ( -7.494 22.829 8.510) 25.490 9.082 ( -9.126 -3.101 10.900) 14.551 9.082 ( -9.126 3.101 10.900) 14.551 9.273 ( -7.658 -21.790 0.814) 23.111 9.273 ( -7.658 21.790 0.814) 23.111 11.497 ( -4.694 -6.205 6.507) 10.142 11.497 ( -4.694 6.205 6.507) 10.142 12.988 ( -2.398 -5.521 9.101) 10.911 12.988 ( -2.398 5.521 9.101) 10.911 13.683 ( 9.795 -10.924 21.595) 26.108 13.683 ( 9.795 10.924 21.595) 26.108 14.078 ( -12.453 -8.577 -4.913) 15.899 14.078 ( -12.453 8.577 -4.913) 15.899 15.635 ( -15.762 -1.044 -2.622) 16.012 15.635 ( -15.762 1.044 -2.622) 16.012 16.813 ( 1.930 -24.202 6.499) 25.133 16.813 ( 1.930 24.202 6.499) 25.133 18.816 ( 7.362 -5.204 -7.823) 11.937 18.816 ( 7.362 5.204 -7.823) 11.937 19.306 ( 11.094 -10.747 1.881) 15.560 19.306 ( 11.094 10.747 1.881) 15.560 21.949 ( 6.795 -17.472 -0.595) 18.757 21.949 ( 6.795 17.472 -0.595) 18.757 23.542 ( 4.262 -9.116 -11.262) 15.103 23.542 ( 4.262 9.116 -11.262) 15.103 ======================= Grid point 189 (96/312) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( -8.259 -27.460 12.206) 31.165 3.804 ( -8.259 27.460 12.206) 31.165 4.468 ( 1.877 -33.517 2.822) 33.688 4.468 ( 1.877 33.517 2.822) 33.688 6.079 ( 13.402 -12.475 -2.132) 18.433 6.079 ( 13.402 12.475 -2.132) 18.433 6.979 ( 9.919 -20.913 -5.970) 23.904 6.979 ( 9.919 20.913 -5.970) 23.904 7.417 ( -5.487 -22.436 -13.344) 26.675 7.417 ( -5.487 22.436 -13.344) 26.675 8.253 ( -6.887 -28.440 8.811) 30.560 8.253 ( -6.887 28.440 8.811) 30.560 8.879 ( -12.155 -6.219 3.643) 14.131 8.879 ( -12.155 6.219 3.643) 14.131 9.216 ( -0.205 -20.583 7.587) 21.938 9.216 ( -0.205 20.583 7.587) 21.938 11.439 ( -3.534 -5.854 6.125) 9.180 11.439 ( -3.534 5.854 6.125) 9.180 12.953 ( -3.310 -6.180 3.606) 7.884 12.953 ( -3.310 6.180 3.606) 7.884 13.725 ( -7.089 -7.582 -1.877) 10.548 13.725 ( -7.089 7.582 -1.877) 10.548 14.056 ( 5.226 -13.830 17.247) 22.717 14.056 ( 5.226 13.830 17.247) 22.717 15.361 ( -9.415 -3.570 -1.594) 10.195 15.361 ( -9.415 3.570 -1.594) 10.195 16.861 ( 0.260 -25.488 8.976) 27.023 16.861 ( 0.260 25.488 8.976) 27.023 18.895 ( 3.796 -7.967 -7.327) 11.470 18.895 ( 3.796 7.967 -7.327) 11.470 19.518 ( 7.920 -7.726 1.580) 11.177 19.518 ( 7.920 7.726 1.580) 11.177 22.037 ( 2.620 -13.123 -4.705) 14.185 22.037 ( 2.620 13.123 -4.705) 14.185 23.594 ( 4.338 -5.809 -9.411) 11.880 23.594 ( 4.338 5.809 -9.411) 11.880 ======================= Grid point 231 (97/312) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.058 0.000 37.246) 37.246 1.527 ( 17.061 0.000 38.551) 42.158 3.237 ( -8.171 0.000 79.018) 79.439 5.022 ( 7.816 0.000 -17.771) 19.414 5.228 ( -6.573 0.000 26.665) 27.463 5.303 ( -1.031 0.000 -19.601) 19.628 5.806 ( -7.120 0.000 4.065) 8.198 6.289 ( -2.013 0.000 -1.491) 2.505 7.232 ( 2.116 0.000 4.209) 4.711 7.546 ( -3.604 0.000 6.060) 7.051 7.948 ( 4.539 0.000 15.374) 16.030 8.353 ( -5.848 0.000 25.086) 25.758 9.050 ( -2.519 0.000 1.814) 3.104 9.577 ( -3.559 0.000 -14.117) 14.559 9.651 ( 5.238 0.000 2.048) 5.624 10.207 ( -5.501 0.000 -16.430) 17.327 11.487 ( 17.543 0.000 7.505) 19.081 12.272 ( 20.047 0.000 -3.338) 20.323 12.610 ( -9.122 0.000 8.286) 12.323 12.932 ( 4.010 0.000 16.371) 16.855 13.033 ( -2.358 0.000 -5.798) 6.259 13.536 ( -14.445 0.000 7.622) 16.332 14.156 ( -1.420 0.000 -11.779) 11.865 14.267 ( -0.047 0.000 3.937) 3.937 14.326 ( -11.212 0.000 -9.024) 14.392 14.672 ( 11.867 0.000 0.944) 11.904 15.102 ( -37.037 0.000 7.394) 37.768 17.815 ( 3.542 0.000 11.157) 11.706 18.662 ( 1.709 0.000 4.379) 4.701 19.019 ( 7.894 0.000 -20.007) 21.508 20.654 ( -4.141 0.000 -5.837) 7.156 20.724 ( 45.090 0.000 -3.994) 45.266 21.336 ( -10.605 0.000 1.591) 10.724 22.351 ( -32.697 0.000 8.846) 33.872 22.840 ( -3.805 0.000 -13.620) 14.141 23.586 ( 10.031 0.000 -4.209) 10.878 ======================= Grid point 232 (98/312) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 25.716 0.000 31.693) 40.814 2.162 ( 24.929 0.000 35.181) 43.118 3.628 ( 21.984 0.000 69.645) 73.032 5.112 ( 7.250 0.000 -18.054) 19.455 5.209 ( -0.224 0.000 7.599) 7.602 5.260 ( -2.019 0.000 -3.608) 4.135 5.731 ( 0.209 0.000 6.606) 6.610 6.166 ( -9.658 0.000 -1.303) 9.746 7.283 ( 1.963 0.000 1.979) 2.787 7.472 ( -7.229 0.000 9.711) 12.107 8.074 ( 2.108 0.000 16.432) 16.566 8.422 ( 2.188 0.000 28.734) 28.817 8.959 ( -7.033 0.000 -3.305) 7.770 9.464 ( -0.870 0.000 -19.059) 19.079 9.715 ( -0.584 0.000 4.546) 4.584 10.039 ( -5.044 0.000 -15.579) 16.375 11.811 ( 11.938 0.000 1.778) 12.069 12.382 ( -13.707 0.000 1.656) 13.806 12.788 ( 26.428 0.000 -1.404) 26.466 13.029 ( -3.424 0.000 7.484) 8.230 13.134 ( 12.172 0.000 0.428) 12.180 13.209 ( -16.819 0.000 23.598) 28.978 13.796 ( -20.868 0.000 -12.389) 24.268 14.241 ( 2.124 0.000 -17.670) 17.797 14.372 ( 9.229 0.000 1.251) 9.314 14.588 ( -16.838 0.000 14.327) 22.108 15.035 ( 18.931 0.000 6.419) 19.989 17.889 ( -0.194 0.000 11.119) 11.121 18.678 ( -1.736 0.000 4.382) 4.713 19.087 ( 5.770 0.000 -18.576) 19.451 20.370 ( -20.138 0.000 -8.973) 22.047 20.900 ( -20.703 0.000 -8.143) 22.247 21.632 ( 36.182 0.000 -10.303) 37.621 21.893 ( -16.674 0.000 16.833) 23.693 22.813 ( 4.633 0.000 -11.705) 12.588 23.783 ( 10.511 0.000 -3.315) 11.021 ======================= Grid point 233 (99/312) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 34.268 0.000 24.691) 42.237 2.695 ( 16.909 0.000 39.265) 42.751 4.480 ( 36.482 0.000 44.028) 57.178 5.104 ( -12.671 0.000 1.686) 12.783 5.182 ( 6.042 0.000 -17.296) 18.321 5.330 ( 11.324 0.000 9.948) 15.073 5.906 ( -15.626 0.000 -0.258) 15.628 5.931 ( 17.364 0.000 3.294) 17.673 7.282 ( -14.542 0.000 2.968) 14.842 7.321 ( -0.149 0.000 5.782) 5.784 8.159 ( 1.414 0.000 16.218) 16.280 8.587 ( 3.237 0.000 28.879) 29.059 8.721 ( -14.943 0.000 -8.826) 17.355 9.441 ( 5.622 0.000 -19.900) 20.679 9.640 ( -8.924 0.000 4.648) 10.062 9.917 ( -1.772 0.000 -12.039) 12.169 11.991 ( 5.624 0.000 2.195) 6.037 12.128 ( -11.044 0.000 -0.682) 11.065 12.716 ( -18.329 0.000 -0.485) 18.335 13.132 ( -2.937 0.000 19.203) 19.426 13.229 ( 7.402 0.000 21.628) 22.859 13.367 ( -12.896 0.000 -11.969) 17.595 13.475 ( 16.396 0.000 2.668) 16.611 14.199 ( 0.112 0.000 -19.636) 19.636 14.465 ( 2.310 0.000 4.696) 5.234 14.684 ( 17.751 0.000 6.363) 18.857 15.424 ( 16.864 0.000 7.558) 18.481 17.886 ( -3.560 0.000 9.329) 9.985 18.619 ( -5.564 0.000 3.331) 6.485 19.121 ( 3.643 0.000 -16.150) 16.556 19.856 ( -25.687 0.000 -12.989) 28.785 20.464 ( -17.427 0.000 -12.102) 21.217 21.622 ( -13.142 0.000 13.823) 19.073 22.273 ( 27.291 0.000 -9.357) 28.851 22.898 ( 6.523 0.000 -9.158) 11.244 23.969 ( 9.004 0.000 -3.588) 9.693 ======================= Grid point 234 (100/312) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 17.626 0.000 37.329) 41.281 3.366 ( 34.277 0.000 19.751) 39.560 4.797 ( -18.189 0.000 6.942) 19.468 5.113 ( 14.045 0.000 20.054) 24.483 5.246 ( 6.459 0.000 -14.491) 15.866 5.556 ( -19.214 0.000 1.923) 19.310 5.881 ( 37.585 0.000 15.531) 40.667 6.399 ( 27.087 0.000 3.979) 27.378 6.890 ( -23.628 0.000 -2.773) 23.790 7.328 ( -1.066 0.000 3.333) 3.500 8.262 ( 2.777 0.000 16.743) 16.971 8.283 ( -25.031 0.000 -11.187) 27.417 8.748 ( 2.714 0.000 26.644) 26.782 9.383 ( -18.025 0.000 3.491) 18.360 9.534 ( 9.685 0.000 -18.327) 20.728 9.895 ( 2.871 0.000 -6.955) 7.524 11.955 ( -5.858 0.000 0.439) 5.875 12.056 ( -0.452 0.000 4.409) 4.432 12.388 ( -13.093 0.000 -2.923) 13.416 13.024 ( -11.398 0.000 17.345) 20.755 13.106 ( -6.680 0.000 -10.477) 12.425 13.405 ( 0.512 0.000 27.528) 27.533 13.883 ( 19.488 0.000 2.957) 19.711 14.111 ( -1.340 0.000 -18.167) 18.216 14.626 ( 11.322 0.000 0.909) 11.359 15.111 ( 19.913 0.000 13.897) 24.283 15.740 ( 11.473 0.000 6.959) 13.418 17.825 ( -4.862 0.000 6.225) 7.899 18.482 ( -8.589 0.000 0.891) 8.635 19.095 ( -5.417 0.000 -7.646) 9.371 19.333 ( -15.642 0.000 -22.193) 27.151 20.132 ( -10.446 0.000 -19.103) 21.772 21.423 ( -11.502 0.000 14.137) 18.225 22.705 ( 18.988 0.000 -5.781) 19.848 22.988 ( 5.112 0.000 -7.387) 8.983 24.109 ( 6.185 0.000 -4.466) 7.629 ======================= Grid point 235 (101/312) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( 19.300 0.000 31.909) 37.291 4.058 ( 26.779 0.000 14.664) 30.531 4.435 ( -21.262 0.000 14.322) 25.636 5.161 ( -18.986 0.000 1.981) 19.089 5.371 ( 7.927 0.000 13.208) 15.404 5.374 ( 9.207 0.000 -2.918) 9.658 6.366 ( -24.749 0.000 -11.040) 27.100 6.697 ( 37.431 0.000 3.865) 37.630 6.993 ( 26.912 0.000 12.461) 29.657 7.307 ( -1.928 0.000 2.994) 3.561 7.646 ( -33.186 0.000 -13.688) 35.898 8.361 ( 1.157 0.000 12.831) 12.883 8.809 ( -12.731 0.000 6.350) 14.226 9.030 ( -10.402 0.000 19.897) 22.452 9.669 ( 9.131 0.000 -16.774) 19.099 9.980 ( 6.960 0.000 -1.086) 7.044 11.910 ( 0.909 0.000 3.904) 4.008 11.979 ( -7.729 0.000 0.204) 7.731 12.210 ( -4.212 0.000 0.056) 4.212 12.845 ( -10.881 0.000 11.138) 15.571 13.040 ( 2.892 0.000 -5.474) 6.191 13.463 ( -4.486 0.000 32.329) 32.639 13.936 ( -4.720 0.000 -20.499) 21.035 14.324 ( 17.789 0.000 5.404) 18.592 14.867 ( 11.317 0.000 -0.045) 11.317 15.531 ( 14.709 0.000 22.117) 26.562 15.908 ( 2.567 0.000 6.184) 6.696 17.751 ( -3.986 0.000 2.531) 4.722 18.308 ( -7.638 0.000 -1.982) 7.891 18.750 ( -17.485 0.000 -9.573) 19.934 19.223 ( 5.094 0.000 -20.597) 21.218 19.901 ( -5.110 0.000 -25.456) 25.964 21.270 ( -8.668 0.000 14.845) 17.190 23.008 ( 12.826 0.000 -1.677) 12.936 23.047 ( 3.238 0.000 -6.363) 7.140 24.179 ( 2.472 0.000 -5.771) 6.278 ======================= Grid point 236 (102/312) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( -17.710 0.000 26.460) 31.840 4.206 ( 13.960 0.000 20.347) 24.675 4.316 ( -13.038 0.000 9.230) 15.975 4.978 ( 6.511 0.000 4.791) 8.084 5.542 ( 4.388 0.000 12.743) 13.478 5.579 ( 3.187 0.000 12.808) 13.198 5.932 ( -5.473 0.000 -19.655) 20.403 6.758 ( -44.234 0.000 -5.020) 44.518 7.282 ( -1.155 0.000 1.908) 2.230 7.398 ( 31.712 0.000 -4.612) 32.046 7.578 ( 18.433 0.000 11.788) 21.880 8.296 ( -28.450 0.000 -6.853) 29.263 8.375 ( -3.286 0.000 5.678) 6.560 9.129 ( 3.831 0.000 26.077) 26.357 9.757 ( 5.108 0.000 -15.145) 15.983 10.153 ( 9.285 0.000 2.622) 9.648 11.818 ( -6.163 0.000 -6.620) 9.045 12.026 ( 8.362 0.000 9.448) 12.617 12.158 ( -3.033 0.000 6.420) 7.100 12.683 ( -7.952 0.000 5.643) 9.751 13.170 ( 10.584 0.000 -1.045) 10.635 13.476 ( -5.308 0.000 33.065) 33.488 13.740 ( -7.603 0.000 -18.936) 20.405 14.645 ( 11.802 0.000 2.381) 12.040 15.033 ( 4.460 0.000 -0.798) 4.531 15.834 ( 6.952 0.000 27.991) 28.842 15.881 ( -7.256 0.000 7.472) 10.415 17.666 ( -5.439 0.000 -0.453) 5.458 18.203 ( -1.149 0.000 -3.239) 3.437 18.484 ( -3.696 0.000 -14.228) 14.700 19.301 ( 9.309 0.000 -16.529) 18.970 19.735 ( -1.910 0.000 -30.841) 30.901 21.188 ( -4.770 0.000 15.849) 16.551 23.077 ( 2.078 0.000 -5.768) 6.131 23.214 ( 7.904 0.000 1.535) 8.052 24.161 ( -2.014 0.000 -7.554) 7.818 ======================= Grid point 237 (103/312) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( -26.046 0.000 27.831) 38.118 3.807 ( -35.164 0.000 11.199) 36.904 4.626 ( 15.170 0.000 18.179) 23.677 5.153 ( -1.201 0.000 -0.670) 1.375 5.520 ( 6.099 0.000 -4.277) 7.449 5.605 ( -7.207 0.000 7.060) 10.089 5.801 ( -43.731 0.000 7.863) 44.433 6.183 ( 20.880 0.000 8.003) 22.361 7.283 ( 1.039 0.000 0.529) 1.166 7.503 ( -29.615 0.000 -6.768) 30.378 7.900 ( 15.499 0.000 9.229) 18.039 8.144 ( 20.595 0.000 -1.723) 20.667 8.272 ( -7.600 0.000 -0.539) 7.619 9.282 ( 2.587 0.000 19.587) 19.757 9.777 ( 2.108 0.000 -12.035) 12.218 10.332 ( 7.314 0.000 0.608) 7.340 11.690 ( -4.192 0.000 -10.546) 11.349 12.128 ( -2.360 0.000 8.361) 8.688 12.302 ( 14.155 0.000 15.732) 21.163 12.574 ( -4.151 0.000 2.318) 4.754 13.407 ( 9.279 0.000 -4.451) 10.291 13.495 ( -3.959 0.000 31.913) 32.158 13.521 ( -4.846 0.000 -11.092) 12.104 14.772 ( 0.529 0.000 -5.962) 5.986 15.014 ( -5.908 0.000 -1.743) 6.160 15.712 ( -11.827 0.000 12.612) 17.290 16.036 ( 3.825 0.000 29.679) 29.924 17.540 ( -5.545 0.000 -1.871) 5.852 18.240 ( 5.175 0.000 -2.253) 5.644 18.488 ( 8.190 0.000 -18.214) 19.971 19.493 ( 15.283 0.000 -12.633) 19.829 19.600 ( -0.272 0.000 -33.647) 33.649 21.191 ( -0.628 0.000 16.060) 16.073 23.097 ( 2.032 0.000 -5.203) 5.586 23.338 ( 3.686 0.000 3.488) 5.075 24.041 ( -6.962 0.000 -9.859) 12.069 ======================= Grid point 238 (104/312) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -40.950 0.000 14.600) 43.475 3.145 ( -32.012 0.000 24.627) 40.389 4.526 ( -43.276 0.000 17.542) 46.696 5.009 ( -5.727 0.000 -9.370) 10.981 5.170 ( 1.646 0.000 16.714) 16.795 5.630 ( -5.724 0.000 14.948) 16.006 5.792 ( 16.410 0.000 -1.814) 16.510 6.630 ( 17.891 0.000 16.954) 24.648 6.846 ( -30.175 0.000 -10.564) 31.971 7.333 ( 3.988 0.000 -0.005) 3.988 8.087 ( -9.370 0.000 -3.893) 10.147 8.148 ( 6.822 0.000 16.560) 17.910 8.601 ( 22.520 0.000 -3.475) 22.786 9.355 ( -0.845 0.000 13.582) 13.608 9.767 ( 0.601 0.000 -8.881) 8.902 10.434 ( 3.419 0.000 -4.457) 5.618 11.548 ( -6.348 0.000 -12.505) 14.024 12.118 ( -1.203 0.000 2.725) 2.978 12.549 ( 0.875 0.000 4.851) 4.930 12.661 ( 13.706 0.000 19.863) 24.132 13.246 ( -8.554 0.000 -12.643) 15.265 13.545 ( -1.877 0.000 29.537) 29.596 13.718 ( 12.989 0.000 -0.207) 12.991 14.620 ( -10.683 0.000 -14.860) 18.302 14.818 ( -11.992 0.000 -1.137) 12.046 15.520 ( -12.802 0.000 14.785) 19.557 16.196 ( 1.989 0.000 23.489) 23.573 17.475 ( 0.001 0.000 -0.088) 0.088 18.362 ( 6.680 0.000 -0.460) 6.696 18.624 ( 11.335 0.000 -20.844) 23.727 19.497 ( 1.886 0.000 -29.573) 29.634 19.821 ( 20.835 0.000 -9.061) 22.720 21.267 ( 2.492 0.000 14.424) 14.638 23.128 ( 2.849 0.000 -4.244) 5.111 23.382 ( -0.796 0.000 3.397) 3.489 23.816 ( -11.287 0.000 -12.610) 16.924 ======================= Grid point 239 (105/312) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -40.751 0.000 20.168) 45.469 2.437 ( -45.246 0.000 11.990) 46.808 3.740 ( -39.985 0.000 52.030) 65.619 4.919 ( 0.877 0.000 -13.471) 13.500 5.308 ( -0.540 0.000 21.706) 21.713 5.551 ( -5.037 0.000 4.248) 6.589 6.082 ( 12.211 0.000 -0.774) 12.235 6.280 ( -21.570 0.000 -9.002) 23.374 6.976 ( 10.100 0.000 16.235) 19.121 7.446 ( 6.566 0.000 3.260) 7.330 7.900 ( -7.158 0.000 -3.390) 7.920 8.320 ( 4.262 0.000 16.995) 17.522 8.961 ( 12.177 0.000 1.757) 12.303 9.384 ( 1.840 0.000 6.517) 6.772 9.738 ( -0.678 0.000 -7.396) 7.427 10.439 ( -0.371 0.000 -9.856) 9.863 11.356 ( -7.860 0.000 -10.517) 13.130 12.084 ( -1.439 0.000 -4.567) 4.789 12.640 ( 4.911 0.000 10.073) 11.207 12.837 ( -4.439 0.000 8.740) 9.802 13.165 ( 3.734 0.000 4.316) 5.707 13.620 ( -0.678 0.000 25.160) 25.169 13.948 ( 10.534 0.000 -4.517) 11.462 14.338 ( -8.602 0.000 -17.030) 19.079 14.565 ( -12.269 0.000 -0.356) 12.274 15.263 ( -17.448 0.000 7.978) 19.185 16.215 ( -7.822 0.000 6.649) 10.266 17.539 ( 5.044 0.000 4.622) 6.841 18.485 ( 5.303 0.000 1.434) 5.494 18.777 ( 11.127 0.000 -21.507) 24.215 19.524 ( 10.433 0.000 -13.442) 17.016 20.228 ( 21.337 0.000 -6.578) 22.328 21.373 ( 2.941 0.000 10.953) 11.341 23.171 ( 1.423 0.000 -3.135) 3.443 23.304 ( -8.771 0.000 0.037) 8.771 23.530 ( -10.586 0.000 -15.105) 18.445 ======================= Grid point 240 (106/312) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -35.669 0.000 23.520) 42.725 1.663 ( -29.913 0.000 29.926) 42.312 3.318 ( -25.247 0.000 72.654) 76.916 4.940 ( 5.922 0.000 -16.269) 17.313 5.284 ( -8.409 0.000 27.825) 29.067 5.439 ( -5.154 0.000 -13.090) 14.068 5.956 ( -9.609 0.000 -1.211) 9.686 6.258 ( 5.479 0.000 -1.056) 5.580 7.154 ( 3.971 0.000 9.321) 10.132 7.564 ( 1.318 0.000 5.667) 5.818 7.830 ( 1.255 0.000 5.615) 5.754 8.404 ( -2.981 0.000 16.906) 17.167 9.072 ( -0.744 0.000 6.079) 6.125 9.509 ( 8.184 0.000 -0.526) 8.201 9.680 ( -2.417 0.000 -9.114) 9.429 10.355 ( -3.563 0.000 -14.241) 14.680 11.243 ( 1.471 0.000 2.236) 2.676 12.072 ( 3.665 0.000 -6.014) 7.043 12.721 ( -6.691 0.000 6.186) 9.113 12.787 ( 5.171 0.000 13.316) 14.285 13.179 ( -6.491 0.000 1.932) 6.772 13.664 ( -3.545 0.000 16.839) 17.209 14.102 ( 7.249 0.000 -9.225) 11.732 14.283 ( 8.114 0.000 -7.680) 11.172 14.350 ( -8.493 0.000 0.879) 8.539 14.882 ( -20.842 0.000 -1.197) 20.877 15.838 ( -30.190 0.000 -6.821) 30.951 17.680 ( 5.940 0.000 8.992) 10.777 18.587 ( 4.038 0.000 3.604) 5.412 18.913 ( 9.829 0.000 -21.002) 23.188 19.910 ( 30.964 0.000 4.109) 31.236 20.571 ( 13.215 0.000 -5.193) 14.199 21.432 ( -0.919 0.000 6.180) 6.248 22.971 ( -25.141 0.000 -2.441) 25.259 23.047 ( -10.407 0.000 -10.753) 14.965 23.437 ( 5.663 0.000 -8.115) 9.896 ======================= Grid point 241 (107/312) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 1.061 27.069 31.181) 41.305 1.959 ( 10.309 32.759 30.631) 46.018 3.499 ( -5.671 27.272 69.080) 74.485 5.095 ( 6.037 5.983 -8.946) 12.339 5.274 ( -1.588 3.106 14.439) 14.854 5.364 ( -4.757 7.381 -15.024) 17.402 5.868 ( -6.233 6.626 2.230) 9.366 6.260 ( -1.457 -2.639 -0.382) 3.038 7.235 ( 1.311 -3.672 9.881) 10.622 7.644 ( -0.517 8.721 -6.504) 10.891 7.916 ( 2.783 -1.944 14.735) 15.121 8.450 ( -2.013 7.964 22.670) 24.113 8.965 ( -2.675 -7.646 -0.403) 8.110 9.531 ( -2.828 -4.236 -8.935) 10.284 9.692 ( 3.979 2.652 0.299) 4.791 10.155 ( -4.941 -4.954 -15.801) 17.281 11.455 ( 12.647 -2.549 9.054) 15.762 12.097 ( 8.139 -5.019 -1.807) 9.731 12.525 ( -8.312 -6.173 6.226) 12.082 12.999 ( -2.386 6.969 5.030) 8.919 13.296 ( -8.470 1.206 23.624) 25.126 13.627 ( -0.504 9.103 -10.690) 14.050 14.187 ( -0.841 4.347 -6.732) 8.057 14.398 ( 2.640 -0.787 -0.670) 2.835 14.503 ( 7.029 8.237 -0.364) 10.834 14.562 ( -13.825 15.136 -9.606) 22.639 15.428 ( -21.604 26.453 0.274) 34.155 17.791 ( 4.308 -2.044 12.386) 13.272 18.655 ( 2.380 -0.866 3.585) 4.389 19.011 ( 7.835 -0.630 -19.284) 20.824 20.425 ( 4.514 -15.114 -4.376) 16.369 20.811 ( 31.603 1.141 -7.124) 32.416 21.262 ( -8.635 -6.596 1.143) 10.926 22.184 ( -26.742 -8.758 5.933) 28.758 23.075 ( -7.442 15.085 -15.006) 22.541 23.571 ( 9.915 -1.482 -4.499) 10.988 ======================= Grid point 242 (108/312) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 21.134 20.084 26.343) 39.293 2.395 ( 16.478 19.437 35.223) 43.473 3.910 ( 23.385 27.874 59.678) 69.895 5.145 ( 2.410 3.225 -16.509) 16.992 5.267 ( -2.932 4.084 23.741) 24.267 5.334 ( 3.603 8.403 -18.775) 20.883 5.808 ( 1.477 6.577 3.737) 7.708 6.167 ( -7.630 1.109 0.250) 7.714 7.276 ( -1.295 -5.791 13.181) 14.455 7.533 ( -7.099 7.489 -6.670) 12.287 8.007 ( 0.237 -3.951 16.300) 16.774 8.556 ( 3.167 9.926 23.843) 26.020 8.880 ( -5.505 -6.690 -4.768) 9.889 9.430 ( -1.706 -3.966 -15.157) 15.760 9.739 ( -0.811 1.232 1.548) 2.138 10.012 ( -3.714 -2.272 -13.238) 13.936 11.751 ( 11.835 -7.218 6.767) 15.426 12.305 ( -2.385 -10.978 -0.105) 11.235 12.361 ( 4.792 -8.291 6.494) 11.571 12.978 ( -4.449 -1.600 -0.716) 4.782 13.180 ( -6.947 0.417 28.933) 29.758 13.650 ( 3.803 12.924 -4.009) 14.056 13.971 ( -15.546 11.949 -8.621) 21.419 14.340 ( -4.300 -11.439 2.668) 12.508 14.455 ( 1.654 20.703 -14.872) 25.545 14.644 ( 7.676 19.399 0.924) 20.883 15.286 ( 5.875 22.066 7.325) 23.981 17.872 ( -0.430 -1.681 11.582) 11.711 18.681 ( -1.179 0.125 2.860) 3.096 19.080 ( 5.692 -0.946 -18.104) 19.002 20.203 ( -18.929 -14.272 -7.893) 24.986 20.933 ( -17.849 1.001 -6.823) 19.135 21.545 ( 30.909 -11.946 -4.186) 33.400 21.778 ( -13.220 -3.925 7.240) 15.575 22.960 ( 0.631 11.094 -12.529) 16.747 23.769 ( 10.605 -1.413 -3.908) 11.390 ======================= Grid point 243 (109/312) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 28.236 9.856 22.356) 37.339 2.837 ( 16.670 12.368 37.358) 42.737 4.693 ( 31.387 19.503 36.330) 51.821 5.112 ( 0.521 -1.469 -17.475) 17.545 5.164 ( -11.500 3.467 4.044) 12.674 5.486 ( 15.280 12.737 13.876) 24.254 5.871 ( -8.031 -1.328 0.368) 8.148 6.096 ( 11.999 14.114 -0.693) 18.538 7.202 ( -14.298 -8.564 13.348) 21.353 7.398 ( -1.152 7.063 -6.269) 9.514 8.034 ( -2.984 -9.084 16.902) 19.419 8.645 ( -6.540 -4.041 -4.740) 9.032 8.740 ( -2.477 8.691 17.242) 19.467 9.398 ( 4.345 -4.161 -15.606) 16.725 9.659 ( -7.272 0.642 0.411) 7.312 9.922 ( -1.433 0.782 -8.732) 8.884 11.937 ( 4.353 -7.102 6.122) 10.338 12.113 ( -8.858 -1.204 -0.037) 8.940 12.540 ( -0.389 -9.070 3.868) 9.868 12.893 ( 1.127 -11.276 3.615) 11.895 13.243 ( -1.480 3.134 31.935) 32.123 13.498 ( -15.226 11.557 -5.360) 19.853 13.875 ( 7.762 16.416 -1.373) 18.211 14.262 ( -0.713 1.573 -9.503) 9.659 14.481 ( 4.540 9.090 -5.375) 11.494 14.875 ( 14.204 17.980 4.564) 23.364 15.537 ( 13.274 11.154 7.471) 18.879 17.862 ( -4.005 -2.357 9.735) 10.787 18.622 ( -5.485 0.242 1.070) 5.594 19.114 ( 3.541 -1.065 -15.583) 16.016 19.726 ( -23.247 -11.398 -12.113) 28.585 20.523 ( -18.040 4.841 -10.847) 21.600 21.511 ( -12.666 -11.397 14.796) 22.567 22.154 ( 26.326 -9.230 -10.836) 29.928 22.978 ( 4.154 6.128 -9.913) 12.372 23.951 ( 8.748 -1.883 -4.377) 9.962 ======================= Grid point 244 (110/312) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 18.884 6.165 31.761) 37.462 3.426 ( 30.175 6.313 21.339) 37.494 4.843 ( -18.510 4.282 4.770) 19.588 5.122 ( 2.816 -5.144 -5.013) 7.715 5.208 ( 11.717 2.902 6.401) 13.663 5.594 ( -14.892 4.168 2.686) 15.696 6.091 ( 34.256 18.437 23.679) 45.542 6.503 ( 25.045 10.340 -3.639) 27.339 6.835 ( -22.769 -5.208 1.576) 23.410 7.391 ( -0.056 6.317 0.730) 6.359 7.989 ( -8.945 -17.822 9.671) 22.163 8.348 ( -14.446 0.119 -7.626) 16.335 8.843 ( 2.107 6.735 22.409) 23.494 9.427 ( -9.760 2.295 2.246) 10.275 9.510 ( 4.679 -1.028 -13.250) 14.089 9.900 ( 2.145 0.587 -6.089) 6.482 11.965 ( -3.226 -1.941 4.806) 6.105 11.988 ( -3.717 -4.179 2.362) 6.071 12.455 ( -4.821 7.331 -0.501) 8.789 12.942 ( -1.420 -10.040 6.491) 12.039 13.154 ( -12.093 7.526 4.117) 14.827 13.369 ( -1.756 0.760 25.000) 25.073 14.109 ( 14.207 12.775 5.771) 19.958 14.214 ( -0.142 12.452 -18.965) 22.688 14.630 ( 11.155 1.683 -0.238) 11.284 15.217 ( 15.998 10.187 13.244) 23.133 15.800 ( 9.651 6.197 6.122) 13.001 17.793 ( -5.436 -3.159 6.876) 9.317 18.472 ( -8.755 -0.862 -2.432) 9.128 19.061 ( -10.234 -3.732 -5.922) 12.398 19.289 ( -8.166 -4.378 -21.876) 23.758 20.169 ( -12.248 4.086 -16.982) 21.333 21.323 ( -11.136 -9.973 14.580) 20.881 22.569 ( 18.459 -11.728 -6.487) 22.812 23.033 ( 4.133 2.919 -8.025) 9.487 24.080 ( 5.762 -2.925 -5.277) 8.343 ======================= Grid point 245 (111/312) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( 18.939 5.168 27.784) 34.020 4.079 ( 26.658 2.231 15.546) 30.940 4.462 ( -21.917 2.570 11.121) 24.711 5.080 ( -11.981 -5.867 -0.134) 13.341 5.285 ( 2.172 -5.776 3.489) 7.089 5.515 ( 6.128 8.461 5.355) 11.739 6.331 ( -23.314 -2.057 -6.142) 24.197 6.839 ( 30.732 11.702 12.227) 35.084 7.024 ( 24.252 4.360 -0.892) 24.657 7.370 ( -7.293 5.712 4.654) 10.367 7.641 ( -18.090 -2.497 -9.157) 20.429 8.136 ( -9.509 -12.194 4.275) 16.043 8.963 ( 1.355 6.459 17.385) 18.596 9.145 ( -14.571 12.091 9.302) 21.096 9.639 ( 9.067 -2.724 -12.191) 15.435 9.966 ( 5.748 -1.377 -2.058) 6.259 11.895 ( -5.644 -5.003 -0.047) 7.542 11.957 ( 0.905 1.872 6.281) 6.616 12.376 ( -3.754 15.341 2.484) 15.988 12.873 ( -8.731 1.523 9.814) 13.224 13.019 ( 1.067 -1.181 -3.433) 3.784 13.414 ( -3.905 -2.454 30.247) 30.596 14.106 ( -3.538 15.343 -18.138) 24.018 14.456 ( 16.390 11.539 7.075) 21.256 14.875 ( 11.876 1.243 0.131) 11.941 15.569 ( 11.934 3.752 21.383) 24.773 15.936 ( 1.537 3.082 4.527) 5.688 17.704 ( -5.396 -4.619 3.522) 7.928 18.291 ( -6.327 -1.509 -6.655) 9.306 18.700 ( -16.755 -4.490 -7.205) 18.783 19.250 ( 5.937 0.721 -19.453) 20.351 19.909 ( -6.981 2.153 -23.145) 24.270 21.176 ( -8.476 -9.221 15.253) 19.736 22.857 ( 12.050 -12.036 -3.201) 17.329 23.083 ( 3.549 0.761 -6.107) 7.104 24.141 ( 2.258 -3.919 -6.577) 7.982 ======================= Grid point 246 (112/312) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( -24.456 1.457 20.881) 32.191 4.122 ( 6.379 -1.106 14.271) 15.671 4.484 ( 3.883 10.591 16.021) 19.594 4.872 ( 2.131 -8.656 1.562) 9.051 5.405 ( 2.311 -10.502 11.548) 15.779 5.707 ( 11.891 4.628 4.035) 13.382 5.929 ( -10.895 3.817 -7.825) 13.946 6.798 ( -39.089 3.048 -5.951) 39.657 7.235 ( 5.087 -2.089 4.479) 7.092 7.522 ( 28.907 8.500 -11.148) 32.127 7.693 ( 10.568 9.895 16.091) 21.645 7.859 ( -18.708 -18.649 -2.534) 26.537 8.806 ( -12.152 20.685 0.252) 23.992 9.187 ( 5.296 5.596 23.693) 24.914 9.742 ( 5.014 -1.283 -11.750) 12.840 10.112 ( 8.368 -4.156 1.652) 9.488 11.765 ( -6.121 -4.622 -4.485) 8.885 12.067 ( 6.990 3.692 10.301) 12.985 12.322 ( -3.164 15.963 7.598) 17.960 12.709 ( -9.226 2.344 5.476) 10.981 13.151 ( 11.239 -2.010 0.282) 11.420 13.431 ( -4.559 -2.330 28.869) 29.320 13.952 ( -5.775 18.826 -14.710) 24.579 14.766 ( 11.260 10.838 4.916) 16.383 15.059 ( 5.664 3.240 -1.119) 6.620 15.802 ( 0.444 -3.135 25.043) 25.243 15.908 ( -3.024 3.120 7.724) 8.862 17.588 ( -6.908 -7.139 -0.053) 9.935 18.220 ( 1.865 1.414 -8.128) 8.459 18.444 ( -4.401 -4.236 -9.937) 11.664 19.338 ( 9.045 1.602 -16.130) 18.563 19.716 ( -3.309 0.229 -28.612) 28.803 21.100 ( -4.588 -8.668 16.272) 18.999 23.017 ( 5.185 -7.659 -4.804) 10.422 23.151 ( 4.840 -4.419 -0.674) 6.589 24.121 ( -1.601 -4.134 -8.388) 9.488 ======================= Grid point 247 (113/312) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( -28.942 -3.565 22.182) 36.638 3.841 ( -29.860 4.288 11.235) 32.190 4.741 ( 13.176 8.487 16.275) 22.595 5.005 ( 2.393 -10.803 -0.413) 11.072 5.451 ( 5.310 -5.786 -2.474) 8.234 5.788 ( -5.430 14.626 9.137) 18.080 5.935 ( -41.436 12.267 4.866) 43.487 6.109 ( 20.571 -7.010 6.952) 22.818 7.263 ( -7.805 -9.912 -5.139) 13.622 7.402 ( -14.584 -0.430 -4.316) 15.215 7.913 ( 4.053 -0.379 17.903) 18.360 8.040 ( 22.214 3.676 -8.623) 24.111 8.616 ( -5.556 19.891 1.311) 20.694 9.358 ( 3.366 7.031 15.486) 17.337 9.772 ( 2.351 -0.671 -8.811) 9.144 10.277 ( 6.972 -5.646 0.053) 8.972 11.625 ( -5.762 -4.841 -7.774) 10.820 12.250 ( 1.537 9.140 11.729) 14.948 12.344 ( 5.654 6.705 13.352) 15.975 12.579 ( -3.389 0.767 3.275) 4.775 13.419 ( 13.289 0.220 1.309) 13.355 13.441 ( -3.126 -1.850 23.490) 23.769 13.785 ( -6.229 21.730 -7.530) 23.826 14.891 ( -0.123 10.359 -2.352) 10.623 15.058 ( -5.439 5.500 -3.850) 8.640 15.694 ( -10.704 -1.970 12.944) 16.911 16.019 ( 2.950 -1.110 28.106) 28.283 17.448 ( -5.628 -8.086 -2.850) 10.256 18.267 ( 4.553 1.915 -4.514) 6.691 18.469 ( 9.716 -2.495 -15.558) 18.511 19.503 ( 11.991 -2.000 -13.668) 18.292 19.579 ( 1.159 1.639 -30.114) 30.181 21.108 ( -0.374 -8.017 16.392) 18.251 23.067 ( 2.813 -3.678 -6.572) 8.039 23.242 ( 2.662 -8.663 3.622) 9.759 24.018 ( -5.293 -2.750 -10.680) 12.232 ======================= Grid point 248 (114/312) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( -35.120 -3.235 18.326) 39.746 3.239 ( -33.842 7.923 17.075) 38.725 4.788 ( -24.870 15.137 8.851) 30.430 4.961 ( -14.227 4.110 -0.438) 14.815 5.217 ( -0.193 3.800 16.413) 16.848 5.632 ( 3.437 -0.548 0.476) 3.512 5.868 ( 5.903 8.055 10.426) 14.437 6.537 ( 15.293 -8.448 12.696) 21.597 6.804 ( -21.010 -5.693 -10.030) 23.967 7.404 ( 4.582 7.704 0.043) 8.963 7.949 ( -4.907 -5.094 6.921) 9.895 8.281 ( 4.591 5.847 3.097) 8.053 8.705 ( 12.636 8.450 1.713) 15.297 9.410 ( -1.160 5.509 5.672) 7.992 9.789 ( 1.255 1.125 -3.677) 4.045 10.373 ( 3.329 -6.234 -4.570) 8.416 11.474 ( -6.458 -4.918 -8.359) 11.652 12.212 ( -5.435 9.999 2.570) 11.667 12.476 ( 2.037 -5.247 10.951) 12.313 12.730 ( 12.292 5.396 16.442) 21.226 13.448 ( -1.161 3.690 7.759) 8.670 13.558 ( -3.919 10.521 5.279) 12.407 13.790 ( 10.296 9.742 2.945) 14.477 14.751 ( -10.558 12.243 -11.642) 19.922 14.840 ( -12.884 2.262 -2.516) 13.321 15.536 ( -10.780 1.897 13.520) 17.396 16.171 ( 1.945 -2.301 24.803) 24.985 17.377 ( -0.049 -8.285 -1.676) 8.453 18.364 ( 5.809 -0.559 -2.033) 6.180 18.634 ( 11.527 0.778 -19.550) 22.708 19.505 ( 4.590 0.667 -26.778) 27.177 19.791 ( 18.194 -2.379 -9.163) 20.509 21.190 ( 2.681 -7.358 14.513) 16.491 23.107 ( 3.668 -2.508 -6.108) 7.553 23.252 ( -3.808 -11.089 3.665) 12.284 23.847 ( -7.060 1.279 -12.804) 14.677 ======================= Grid point 249 (115/312) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -35.030 7.147 15.325) 38.898 2.599 ( -36.490 13.057 20.330) 43.764 4.079 ( -39.790 31.189 41.130) 65.174 4.901 ( 4.031 -1.424 -11.787) 12.538 5.332 ( -1.852 0.860 21.752) 21.847 5.629 ( -1.796 7.710 -1.526) 8.062 6.066 ( 8.088 -0.169 3.895) 8.978 6.316 ( -16.064 2.367 -11.253) 19.755 6.920 ( 11.460 -6.056 14.302) 19.302 7.519 ( 5.826 7.027 2.707) 9.521 7.833 ( -5.357 -3.618 0.200) 6.467 8.377 ( 2.344 4.121 13.376) 14.191 8.943 ( 7.440 -2.316 3.028) 8.360 9.412 ( 2.215 3.720 -0.461) 4.354 9.776 ( -1.687 1.460 -3.352) 4.026 10.378 ( -0.319 -6.366 -9.493) 11.435 11.323 ( -5.497 -1.396 -4.767) 7.409 12.100 ( -4.623 4.215 -3.573) 7.204 12.559 ( 1.567 -4.593 12.039) 12.981 12.993 ( 5.434 8.158 16.192) 18.928 13.445 ( -1.164 21.522 -1.972) 21.644 13.520 ( -0.557 -7.450 17.822) 19.324 14.020 ( 10.569 7.297 -1.926) 12.987 14.462 ( -10.674 8.936 -14.427) 20.048 14.594 ( -10.696 5.170 -0.792) 11.906 15.309 ( -15.932 4.576 6.608) 17.844 16.208 ( -6.258 -0.475 9.312) 11.230 17.443 ( 5.787 -7.724 5.444) 11.080 18.471 ( 5.011 -1.802 0.536) 5.352 18.777 ( 10.111 0.938 -20.942) 23.273 19.599 ( 13.174 5.831 -14.792) 20.648 20.153 ( 19.610 -6.693 -6.472) 21.708 21.296 ( 2.790 -7.194 10.763) 13.243 23.074 ( -13.760 -11.363 0.724) 17.860 23.186 ( 5.146 -3.609 -5.869) 8.600 23.662 ( -6.869 6.618 -13.849) 16.816 ======================= Grid point 250 (116/312) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -20.579 23.372 22.893) 38.650 2.018 ( -25.329 26.689 25.896) 44.994 3.599 ( -25.818 28.386 61.418) 72.419 4.986 ( 8.098 3.637 -13.465) 16.127 5.300 ( -6.973 0.038 22.351) 23.413 5.537 ( -5.811 9.864 -11.258) 16.056 6.008 ( -8.450 6.167 -1.745) 10.606 6.234 ( 3.873 -2.528 -0.923) 4.716 7.135 ( 5.635 -3.920 10.748) 12.753 7.618 ( 3.004 5.509 0.310) 6.283 7.814 ( 2.318 -0.513 7.666) 8.025 8.442 ( -1.644 3.322 15.657) 16.090 9.002 ( -1.275 -6.508 3.658) 7.574 9.510 ( 6.284 0.704 -1.564) 6.514 9.698 ( -3.647 0.033 -5.847) 6.891 10.297 ( -3.489 -6.018 -13.890) 15.535 11.274 ( 2.148 2.841 3.836) 5.234 12.032 ( 0.014 0.713 -4.667) 4.721 12.596 ( -2.113 -5.475 9.825) 11.444 13.048 ( -3.137 10.660 10.464) 15.263 13.367 ( -6.757 9.222 12.274) 16.774 13.636 ( 3.694 0.800 3.835) 5.385 14.172 ( 5.620 7.952 -7.821) 12.489 14.313 ( 1.323 -1.082 -9.740) 9.889 14.447 ( -2.526 12.562 0.577) 12.827 14.953 ( -19.802 7.236 -1.450) 21.132 15.930 ( -21.807 9.028 -5.157) 24.159 17.621 ( 7.811 -4.729 11.636) 14.791 18.572 ( 4.357 -1.759 3.254) 5.716 18.903 ( 9.635 0.002 -20.069) 22.262 19.968 ( 27.062 3.748 -3.176) 27.505 20.481 ( 14.129 -7.754 -5.317) 16.971 21.348 ( -1.259 -7.788 5.893) 9.847 22.696 ( -23.134 -12.595 -0.525) 26.346 23.256 ( 0.088 5.387 -8.911) 10.413 23.484 ( -2.717 4.989 -11.913) 13.198 ======================= Grid point 251 (117/312) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.444 36.749 24.341) 44.081 2.590 ( 4.173 30.132 28.216) 41.491 4.285 ( -0.375 48.636 41.801) 64.132 5.153 ( -0.430 -2.471 16.823) 17.009 5.396 ( 14.125 10.836 -14.988) 23.272 5.576 ( -11.569 13.338 -6.107) 18.683 5.998 ( -7.438 0.787 -5.799) 9.465 6.266 ( 1.512 8.381 5.492) 10.133 7.093 ( 0.121 -9.165 11.151) 14.434 7.737 ( -1.342 -0.370 -4.681) 4.883 7.943 ( 3.423 4.552 5.194) 7.708 8.558 ( 1.364 -1.952 5.863) 6.328 8.843 ( -1.271 0.475 10.012) 10.103 9.399 ( -5.514 -9.496 -3.340) 11.478 9.686 ( 3.176 -5.382 -4.441) 7.667 10.038 ( -2.773 -5.825 -9.832) 11.760 11.420 ( 4.868 -0.697 8.110) 9.484 12.046 ( 2.011 -4.235 1.300) 4.866 12.483 ( -7.698 3.362 4.628) 9.590 13.122 ( -8.375 2.434 0.440) 8.733 13.266 ( -8.023 2.934 22.486) 24.054 13.690 ( 2.038 -0.367 0.033) 2.071 14.061 ( -1.453 -11.550 0.123) 11.641 14.537 ( -4.037 14.815 4.423) 15.979 14.748 ( 1.466 13.555 -0.750) 13.655 14.901 ( -0.828 12.800 -10.470) 16.558 15.969 ( -9.647 24.231 2.002) 26.158 17.754 ( 4.574 -1.505 13.113) 13.969 18.621 ( 3.904 -2.346 2.536) 5.213 19.000 ( 6.310 -0.618 -18.886) 19.921 20.107 ( -1.080 -16.388 -2.112) 16.559 20.715 ( 20.319 -12.566 -7.809) 25.135 21.154 ( -0.204 -1.000 -4.516) 4.630 22.094 ( -20.476 -1.466 -1.124) 20.559 23.310 ( -5.736 8.364 -15.177) 18.254 23.531 ( 9.796 -2.423 -5.491) 11.488 ======================= Grid point 252 (118/312) ======================= q-point: ( 0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 13.131 32.938 19.477) 40.456 2.819 ( 7.209 22.740 33.501) 41.127 4.630 ( 18.059 38.606 34.289) 54.701 5.241 ( 3.637 8.570 -1.961) 9.514 5.358 ( -6.741 5.729 13.534) 16.169 5.567 ( 4.224 13.816 -13.505) 19.777 5.872 ( -0.793 -2.226 -1.405) 2.749 6.313 ( 2.566 15.266 2.423) 15.669 7.084 ( -5.201 -11.532 15.446) 19.965 7.631 ( -6.388 1.092 -4.948) 8.153 7.990 ( -1.667 2.201 7.016) 7.540 8.583 ( 0.552 -9.889 -8.379) 12.974 8.884 ( -0.245 9.669 16.994) 19.554 9.290 ( -2.333 -10.334 -7.623) 13.052 9.685 ( -1.141 -8.015 -7.816) 11.254 9.976 ( -1.129 -1.595 -4.535) 4.938 11.584 ( 7.428 -7.099 10.249) 14.513 12.123 ( 1.832 -7.664 5.991) 9.898 12.363 ( -2.391 3.625 2.168) 4.854 12.904 ( -11.246 -4.554 -2.411) 12.371 13.259 ( -2.104 6.723 25.726) 26.673 13.775 ( 6.302 3.461 -0.903) 7.246 14.076 ( 1.408 -6.861 4.478) 8.313 14.289 ( -15.546 15.782 1.669) 22.215 14.785 ( 1.989 13.967 -4.909) 14.938 15.032 ( 11.451 13.280 -5.741) 18.451 15.836 ( -3.319 29.324 4.052) 29.788 17.827 ( -1.462 -2.883 12.153) 12.576 18.675 ( 0.291 -0.778 1.474) 1.692 19.045 ( 4.710 -2.582 -18.055) 18.837 19.892 ( -17.204 -15.812 -4.813) 23.857 20.850 ( -5.783 -12.893 -4.058) 14.702 21.264 ( 6.379 -9.350 0.240) 11.321 21.795 ( -2.199 2.869 -8.198) 8.960 23.157 ( -3.244 8.176 -12.779) 15.513 23.728 ( 10.521 -2.615 -5.622) 12.212 ======================= Grid point 253 (119/312) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 17.185 22.135 17.455) 33.015 3.143 ( 14.779 18.251 31.673) 39.429 5.009 ( 7.900 4.200 -1.580) 9.085 5.163 ( -3.037 8.011 10.812) 13.795 5.296 ( -11.137 9.351 -9.270) 17.245 5.824 ( 25.066 23.595 31.495) 46.658 5.866 ( -3.503 1.585 -0.912) 3.952 6.461 ( 13.954 21.822 -6.000) 26.588 6.981 ( -11.516 -12.669 15.331) 22.982 7.503 ( -3.282 1.700 -4.213) 5.605 7.913 ( -8.838 -1.189 8.946) 12.631 8.504 ( -4.498 -8.696 -13.630) 16.782 8.909 ( -1.511 5.334 9.169) 10.715 9.296 ( 4.282 -4.958 -2.064) 6.869 9.614 ( -2.994 -5.629 -5.309) 8.296 9.939 ( -1.429 -0.108 -2.829) 3.171 11.740 ( 3.744 -9.887 9.560) 14.253 12.089 ( -4.530 -1.132 2.883) 5.487 12.464 ( 6.814 -3.485 10.466) 12.966 12.719 ( -4.692 -5.338 -5.806) 9.177 13.327 ( -1.843 5.479 32.078) 32.594 13.781 ( -12.032 15.010 5.473) 20.000 14.099 ( 5.194 10.281 -0.175) 11.520 14.212 ( 8.909 0.053 -2.576) 9.274 14.795 ( 1.420 15.859 -7.496) 17.599 15.228 ( 9.076 13.427 0.969) 16.236 15.878 ( 4.737 22.902 6.236) 24.203 17.795 ( -5.254 -4.439 10.262) 12.354 18.626 ( -5.421 0.145 -1.944) 5.761 19.062 ( 2.831 -4.429 -15.672) 16.530 19.473 ( -20.419 -12.775 -8.005) 25.382 20.603 ( -14.172 0.699 -9.306) 16.968 21.206 ( -9.905 -16.229 13.681) 23.424 21.985 ( 18.231 -7.555 -13.657) 23.999 23.091 ( 0.358 5.081 -10.848) 11.984 23.892 ( 7.749 -4.075 -6.338) 10.809 ======================= Grid point 254 (120/312) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( 18.134 12.422 21.340) 30.636 3.621 ( 22.445 13.286 21.266) 33.654 4.938 ( -18.628 4.068 -1.733) 19.146 4.987 ( -2.158 -6.423 -8.612) 10.959 5.269 ( 1.428 1.016 9.013) 9.182 5.707 ( -8.991 5.641 -0.450) 10.624 6.518 ( 26.446 22.463 30.335) 46.089 6.692 ( -11.599 -2.731 3.288) 12.361 6.815 ( 15.201 15.215 -7.199) 22.680 7.507 ( 4.365 -1.488 0.104) 4.613 7.703 ( -13.884 -2.195 3.674) 14.529 8.320 ( -9.399 -2.259 -9.589) 13.615 8.931 ( 1.357 1.038 8.232) 8.407 9.402 ( 5.130 -2.725 3.113) 6.590 9.531 ( -3.832 0.653 -2.398) 4.567 9.911 ( 0.146 0.053 -3.047) 3.051 11.802 ( -0.185 -8.160 7.510) 11.092 12.017 ( -3.075 2.377 2.891) 4.844 12.594 ( 1.713 1.198 10.712) 10.914 12.700 ( 3.830 -10.024 -2.768) 11.082 13.378 ( -6.120 9.814 28.519) 30.775 13.503 ( -13.605 16.705 10.603) 24.012 14.284 ( 10.357 6.617 3.893) 12.892 14.440 ( 12.982 8.527 -7.770) 17.367 14.823 ( 5.494 17.409 -6.221) 19.286 15.426 ( 8.812 8.107 11.009) 16.266 16.008 ( 4.887 15.570 4.418) 16.906 17.703 ( -6.834 -5.923 7.588) 11.805 18.448 ( -9.964 -1.604 -7.138) 12.361 18.968 ( -13.995 -4.486 -5.214) 15.594 19.149 ( -1.291 -9.927 -17.210) 19.910 20.287 ( -12.373 6.082 -13.551) 19.332 21.056 ( -9.650 -15.170 14.716) 23.234 22.294 ( 15.823 -15.363 -8.490) 23.632 23.078 ( 1.685 1.885 -9.784) 10.105 23.991 ( 4.481 -6.166 -7.283) 10.542 ======================= Grid point 255 (121/312) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( 18.341 8.664 18.296) 27.316 4.150 ( 23.100 5.245 14.565) 27.807 4.518 ( -23.230 2.447 5.753) 24.056 4.939 ( -2.558 -8.721 -1.800) 9.265 5.201 ( -9.231 -1.175 6.046) 11.097 5.599 ( -0.167 -1.548 -6.000) 6.199 6.367 ( -15.492 6.820 6.852) 18.261 6.970 ( 6.175 -4.245 14.279) 16.126 7.192 ( 20.053 8.332 -17.723) 28.030 7.384 ( -12.361 1.797 -0.000) 12.491 7.716 ( 12.295 14.425 8.532) 20.785 8.064 ( -13.857 3.350 -3.186) 14.608 9.028 ( 4.608 0.826 10.965) 11.923 9.384 ( -7.129 9.716 6.724) 13.800 9.576 ( 7.854 -3.419 -0.931) 8.617 9.928 ( 2.450 -2.304 -3.000) 4.507 11.779 ( -3.971 -4.965 2.728) 6.919 12.022 ( 2.214 3.582 7.402) 8.515 12.629 ( -1.903 2.445 9.763) 10.243 12.817 ( 8.185 -3.688 2.739) 9.386 13.173 ( -13.980 19.016 6.016) 24.357 13.448 ( -4.844 6.553 29.499) 30.604 14.418 ( 1.018 12.172 -4.411) 12.987 14.689 ( 14.929 11.412 0.244) 18.793 15.007 ( 12.640 14.995 -0.768) 19.627 15.632 ( 5.168 0.615 18.826) 19.532 16.066 ( -0.518 11.103 1.531) 11.220 17.577 ( -7.898 -7.879 4.035) 11.863 18.243 ( -5.308 -3.533 -10.815) 12.555 18.626 ( -15.018 -1.499 -5.718) 16.140 19.159 ( 5.425 -10.424 -15.713) 19.621 20.027 ( -8.048 8.254 -17.894) 21.286 20.935 ( -7.376 -13.374 15.264) 21.593 22.552 ( 12.125 -18.343 -3.913) 22.334 23.081 ( 1.746 -0.570 -8.983) 9.168 24.022 ( 1.541 -8.019 -8.631) 11.882 ======================= Grid point 256 (122/312) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( -23.404 0.455 4.167) 23.777 4.207 ( 1.853 6.635 18.890) 20.107 4.604 ( 15.957 -3.659 7.002) 17.806 4.779 ( -8.589 5.685 6.073) 11.957 5.157 ( 2.835 -12.946 8.709) 15.858 5.636 ( 8.515 -8.668 -12.724) 17.594 6.181 ( -6.404 18.144 12.351) 22.864 6.761 ( -23.549 -11.778 -4.660) 26.740 7.188 ( -3.371 0.175 -5.728) 6.649 7.583 ( 12.471 1.040 -9.519) 15.723 7.791 ( -7.423 11.450 -0.199) 13.647 7.993 ( 9.074 17.109 16.996) 25.767 9.093 ( -3.842 7.526 0.217) 8.452 9.355 ( 3.506 11.194 16.241) 20.034 9.712 ( 4.691 -1.815 -1.634) 5.289 9.994 ( 5.264 -7.437 -1.189) 9.189 11.682 ( -5.624 -2.806 -0.594) 6.313 12.140 ( 5.458 3.060 12.442) 13.927 12.605 ( -2.716 3.433 8.714) 9.751 12.890 ( -11.536 23.232 10.329) 27.919 13.095 ( 12.627 -3.596 2.630) 13.390 13.453 ( -4.425 5.474 26.207) 27.135 14.353 ( -4.436 17.742 -5.588) 19.123 14.975 ( 11.104 9.925 2.353) 15.077 15.248 ( 9.727 17.366 0.497) 19.910 15.707 ( -5.464 -6.773 20.656) 22.415 16.023 ( -3.261 8.709 5.196) 10.653 17.416 ( -8.292 -9.725 -0.574) 12.793 18.217 ( 6.802 -3.439 -11.878) 14.113 18.373 ( -7.382 0.033 -6.785) 10.027 19.233 ( 7.066 -12.323 -14.447) 20.260 19.836 ( -3.965 9.845 -21.472) 23.952 20.880 ( -3.437 -11.584 16.188) 20.201 22.750 ( 8.562 -18.154 -1.604) 20.136 23.085 ( 1.653 -2.613 -7.370) 7.992 23.994 ( -0.907 -8.741 -10.545) 13.727 ======================= Grid point 257 (123/312) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( -27.419 1.348 11.575) 29.793 3.979 ( -25.441 9.383 11.781) 29.565 4.703 ( 2.594 -11.759 -5.175) 13.107 4.984 ( 12.705 7.928 14.170) 20.617 5.315 ( 10.972 -7.079 1.253) 13.117 5.881 ( 16.088 -12.252 -0.233) 20.224 6.136 ( -11.989 16.156 2.699) 20.299 6.219 ( -19.781 12.259 11.268) 25.856 6.966 ( -15.236 -10.742 -8.414) 20.453 7.581 ( -0.279 12.923 -0.208) 12.928 7.894 ( 6.740 -0.268 -4.456) 8.084 8.209 ( 7.816 10.797 12.044) 17.965 8.960 ( -7.071 14.562 1.883) 16.297 9.513 ( 4.073 6.961 8.579) 11.774 9.747 ( 0.727 -1.959 -1.650) 2.662 10.117 ( 6.263 -9.871 -0.853) 11.721 11.557 ( -6.305 -1.311 -1.754) 6.675 12.289 ( 2.895 -2.583 15.302) 15.786 12.618 ( -0.224 3.901 6.306) 7.418 12.706 ( -6.218 24.508 12.099) 28.030 13.411 ( 14.925 -0.702 6.660) 16.358 13.457 ( -3.328 4.191 20.679) 21.360 14.226 ( -6.598 18.604 -1.042) 19.767 15.088 ( -0.595 10.106 -3.458) 10.698 15.282 ( -8.103 14.324 -3.822) 16.895 15.648 ( -3.241 -0.327 15.491) 15.830 16.025 ( -0.832 2.252 21.144) 21.280 17.272 ( -4.450 -8.760 -4.614) 10.855 18.290 ( 1.084 0.005 -6.831) 6.917 18.396 ( 14.088 -3.462 -13.058) 19.518 19.333 ( 7.741 -13.048 -14.167) 20.757 19.735 ( 2.056 9.821 -21.071) 23.338 20.914 ( 1.080 -9.497 16.010) 18.646 22.880 ( 5.110 -15.866 -2.394) 16.840 23.095 ( 1.164 -4.640 -4.029) 6.254 23.917 ( -2.458 -7.606 -12.827) 15.113 ======================= Grid point 258 (124/312) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -25.831 7.984 12.562) 29.813 3.453 ( -30.113 13.522 14.701) 36.135 4.741 ( 4.500 -6.771 -8.062) 11.450 5.215 ( 4.299 0.364 12.987) 13.685 5.461 ( -22.679 20.489 7.607) 31.496 5.640 ( 2.102 5.295 -0.452) 5.715 6.090 ( 0.642 10.474 12.752) 16.515 6.351 ( 12.839 -6.250 10.800) 17.903 6.643 ( -10.566 -6.854 -11.184) 16.843 7.617 ( 2.648 11.471 0.974) 11.813 7.925 ( -1.704 2.146 -2.037) 3.414 8.365 ( 3.921 3.619 7.457) 9.169 8.881 ( -1.779 8.976 4.826) 10.346 9.529 ( -1.884 4.634 -3.050) 5.858 9.768 ( 0.115 -3.984 3.559) 5.343 10.203 ( 2.916 -9.882 -4.407) 11.206 11.429 ( -5.721 0.681 -0.401) 5.775 12.301 ( -5.646 -6.723 6.289) 10.800 12.560 ( -3.080 17.731 13.013) 22.208 12.866 ( 10.923 8.962 16.288) 21.562 13.449 ( -3.743 2.146 15.582) 16.168 13.682 ( 8.047 1.526 1.443) 8.316 14.124 ( -2.497 15.931 7.027) 17.590 14.882 ( -17.643 0.156 -3.981) 18.087 15.063 ( -7.747 18.694 -10.356) 22.732 15.619 ( -6.432 7.299 9.383) 13.516 16.124 ( 1.228 -1.828 26.638) 26.729 17.230 ( 2.243 -4.861 -4.254) 6.838 18.335 ( 4.682 -1.584 -5.102) 7.104 18.635 ( 13.671 -1.126 -15.887) 20.989 19.451 ( 9.672 -8.138 -13.859) 18.758 19.797 ( 10.630 3.340 -15.293) 18.921 21.022 ( 3.956 -7.436 13.364) 15.797 22.938 ( 0.714 -15.360 -1.796) 15.481 23.091 ( 0.077 -3.547 -4.049) 5.384 23.818 ( -2.420 -4.647 -14.443) 15.364 ======================= Grid point 259 (125/312) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -18.350 21.722 12.586) 31.097 2.921 ( -28.181 19.331 21.577) 40.416 4.777 ( -15.990 25.447 8.081) 31.121 4.925 ( -7.024 14.460 7.947) 17.933 5.276 ( -3.569 -7.279 13.604) 15.836 5.816 ( 6.092 8.378 -4.075) 11.132 6.121 ( 0.180 6.106 8.823) 10.731 6.366 ( -6.814 4.770 -9.099) 12.328 6.736 ( 13.480 -11.327 7.615) 19.183 7.665 ( 1.339 4.818 2.252) 5.484 7.867 ( -1.782 8.414 -1.575) 8.744 8.445 ( 1.492 2.863 11.613) 12.053 8.883 ( -0.711 -2.741 3.063) 4.172 9.491 ( 0.175 2.236 -3.226) 3.929 9.736 ( -4.169 -6.035 0.721) 7.371 10.203 ( -0.496 -10.184 -8.182) 13.073 11.344 ( -2.818 3.244 2.720) 5.086 12.172 ( -6.670 -1.762 -0.905) 6.958 12.580 ( -1.561 10.074 16.371) 19.286 13.150 ( 9.374 7.805 17.734) 21.524 13.406 ( -5.186 -1.657 10.881) 12.167 13.700 ( -3.803 4.023 0.167) 5.539 14.227 ( 7.874 10.620 8.523) 15.730 14.492 ( -17.534 -3.940 -7.043) 19.302 14.885 ( -6.107 19.378 -10.124) 22.700 15.436 ( -13.449 8.031 2.839) 15.919 16.207 ( -2.068 0.539 18.461) 18.584 17.337 ( 8.406 -1.029 3.468) 9.152 18.421 ( 5.043 -2.393 -2.031) 5.940 18.811 ( 10.101 1.492 -18.325) 20.978 19.649 ( 14.436 -3.565 -9.487) 17.639 20.031 ( 16.363 -4.156 -11.050) 20.177 21.139 ( 3.196 -6.361 8.492) 11.081 22.826 ( -11.806 -12.943 0.401) 17.523 23.134 ( 6.763 -2.148 -7.824) 10.563 23.716 ( -3.161 -1.247 -14.794) 15.180 ======================= Grid point 260 (126/312) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -8.979 35.516 17.640) 40.660 2.554 ( -13.933 26.607 27.261) 40.561 4.373 ( -20.918 46.255 35.674) 62.046 5.070 ( 8.505 3.729 0.347) 9.293 5.245 ( -0.386 -4.677 5.961) 7.587 5.793 ( -6.069 14.919 -6.706) 17.447 6.139 ( -2.183 -5.112 -6.510) 8.561 6.234 ( -2.530 14.510 3.899) 15.236 6.984 ( 7.625 -10.244 8.053) 15.098 7.711 ( 3.646 1.831 -2.417) 4.742 7.870 ( 1.130 6.823 5.512) 8.844 8.510 ( 0.625 2.323 11.666) 11.911 8.860 ( -2.279 -5.852 3.700) 7.289 9.495 ( -1.619 -3.703 0.050) 4.041 9.651 ( -1.144 -5.380 -3.164) 6.345 10.136 ( -2.659 -9.302 -10.796) 14.497 11.340 ( 0.944 3.536 5.306) 6.446 12.062 ( -3.268 -1.508 -1.892) 4.066 12.577 ( -4.299 5.645 12.045) 13.980 13.243 ( -4.500 10.481 3.569) 11.952 13.355 ( -6.065 -3.573 21.938) 23.040 13.659 ( 0.359 -1.205 3.411) 3.636 14.180 ( -9.719 -8.529 -8.640) 15.552 14.421 ( 8.654 11.659 3.927) 15.041 14.770 ( -2.239 16.659 -5.835) 17.793 15.136 ( -15.281 10.490 -2.935) 18.766 16.146 ( -8.161 10.824 6.799) 15.165 17.559 ( 9.750 -0.459 11.307) 14.937 18.521 ( 5.014 -2.760 1.220) 5.852 18.924 ( 7.966 1.342 -19.074) 20.714 19.944 ( 15.572 -7.832 -3.766) 17.833 20.341 ( 18.407 -6.011 -10.563) 22.058 21.187 ( -0.652 -5.844 2.432) 6.363 22.507 ( -19.063 -7.447 -1.074) 20.494 23.281 ( 9.827 -0.722 -7.924) 12.645 23.567 ( -6.339 1.937 -14.414) 15.865 ======================= Grid point 261 (127/312) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 0.134 29.200 26.488) 39.424 3.235 ( 2.000 36.886 18.886) 41.488 4.897 ( -2.344 -8.046 12.629) 15.156 5.358 ( 8.496 38.480 20.111) 44.242 5.583 ( 13.107 1.942 -1.413) 13.325 5.884 ( -3.177 6.879 -11.079) 13.422 5.953 ( -13.071 16.245 -5.726) 21.622 6.554 ( 1.148 13.972 3.862) 14.541 6.952 ( 1.592 -1.208 7.187) 7.459 7.674 ( -0.472 -6.750 -5.179) 8.521 8.025 ( 1.815 3.180 1.630) 4.007 8.399 ( -2.628 -8.366 -7.017) 11.231 8.993 ( 3.615 9.770 19.688) 22.274 9.154 ( -9.145 -14.327 0.387) 17.001 9.449 ( 0.555 -17.511 -9.426) 19.895 9.925 ( -0.860 -6.711 -0.244) 6.770 11.425 ( 0.644 1.164 8.293) 8.399 11.906 ( -0.590 -8.790 7.442) 11.532 12.584 ( -9.358 4.684 -0.697) 10.488 13.078 ( -14.923 -5.071 6.442) 17.026 13.440 ( -3.132 9.729 11.270) 15.214 13.715 ( 2.711 5.039 4.796) 7.466 13.909 ( 2.119 -2.292 0.862) 3.238 14.764 ( -0.816 4.493 12.343) 13.160 15.010 ( 3.589 12.750 3.658) 13.742 15.128 ( -6.454 12.536 -7.546) 15.992 16.350 ( -3.137 16.201 15.793) 22.841 17.717 ( 1.892 -3.376 13.599) 14.139 18.590 ( 4.839 0.019 -1.674) 5.120 18.970 ( 4.586 -2.773 -17.471) 18.274 19.805 ( -2.732 -13.481 0.769) 13.777 20.337 ( 7.484 -23.094 -2.359) 24.391 21.258 ( 4.591 10.091 -15.167) 18.787 22.067 ( -13.769 -2.420 -7.504) 15.866 23.419 ( -3.064 3.144 -13.927) 14.603 23.484 ( 10.038 -2.017 -7.267) 12.555 ======================= Grid point 262 (128/312) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 8.359 26.390 25.220) 37.448 3.354 ( 3.337 34.636 18.181) 39.260 4.934 ( 2.311 -6.064 7.760) 10.116 5.500 ( -13.327 7.945 3.600) 15.928 5.686 ( -9.067 -10.005 -1.084) 13.545 5.797 ( 15.473 32.774 -2.784) 36.349 5.919 ( 10.923 25.063 11.077) 29.498 6.667 ( 9.300 13.850 -0.784) 16.701 6.920 ( -7.266 1.186 11.433) 13.599 7.616 ( -4.369 -2.110 0.750) 4.910 8.041 ( -1.626 2.201 0.541) 2.789 8.356 ( 1.879 -10.392 -14.892) 18.256 8.981 ( -7.085 -13.153 -5.244) 15.833 9.135 ( 3.728 6.350 17.655) 19.129 9.428 ( 1.082 -17.173 -7.889) 18.929 9.907 ( -1.099 -5.915 0.107) 6.017 11.501 ( 3.481 -1.357 10.161) 10.826 11.972 ( 3.206 -7.902 11.193) 14.071 12.405 ( -6.942 0.387 -2.925) 7.543 12.806 ( -11.998 -6.254 0.185) 13.531 13.440 ( -2.411 11.408 20.195) 23.320 13.843 ( 8.563 3.363 1.990) 9.412 14.018 ( 6.787 2.659 5.918) 9.389 14.633 ( -13.277 13.796 17.721) 26.089 15.023 ( 1.396 11.508 -11.779) 16.527 15.226 ( 10.563 8.560 1.742) 13.707 16.339 ( -2.274 21.904 11.635) 24.907 17.747 ( -3.358 -5.731 12.849) 14.465 18.660 ( 1.917 -0.196 -0.459) 1.980 18.981 ( 2.470 -3.901 -17.996) 18.579 19.615 ( -14.966 -11.477 -1.021) 18.888 20.413 ( 0.345 -27.322 1.884) 27.389 21.260 ( -2.103 6.014 -10.919) 12.642 21.830 ( -3.854 -0.157 -12.917) 13.481 23.288 ( -3.890 5.469 -12.139) 13.870 23.666 ( 9.282 -3.674 -7.917) 12.741 ======================= Grid point 263 (129/312) ======================= q-point: ( 0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( 5.788 26.239 19.980) 33.484 3.558 ( 14.158 24.763 17.239) 33.329 5.005 ( 1.929 -3.789 -7.022) 8.209 5.238 ( -11.472 0.559 12.993) 17.342 5.375 ( -16.725 -2.476 -7.187) 18.372 5.911 ( -1.103 0.479 -8.107) 8.195 6.448 ( 25.287 35.517 27.212) 51.394 6.755 ( -9.912 -7.929 13.789) 18.741 6.920 ( 14.376 23.317 -9.387) 28.956 7.514 ( -6.156 2.550 5.501) 8.641 7.960 ( -5.356 3.569 -2.873) 7.049 8.341 ( 0.898 -6.668 -13.314) 14.917 8.862 ( -1.771 -9.783 -7.214) 12.284 9.243 ( 2.597 -3.942 6.917) 8.374 9.460 ( 2.845 -6.826 3.014) 7.986 9.885 ( -0.824 -5.375 0.067) 5.439 11.612 ( 3.519 -2.574 9.612) 10.555 12.066 ( 1.260 -1.628 9.091) 9.322 12.316 ( -0.925 -9.124 1.037) 9.229 12.640 ( -4.295 -5.641 1.118) 7.178 13.487 ( -1.523 10.933 28.509) 30.572 13.987 ( 0.315 5.392 9.120) 10.600 14.211 ( 9.733 6.169 4.876) 12.513 14.501 ( -0.535 21.121 8.741) 22.864 15.043 ( 4.460 9.967 -10.077) 14.859 15.410 ( 6.555 6.910 2.751) 9.914 16.355 ( 0.323 23.623 8.226) 25.017 17.683 ( -6.821 -7.119 10.560) 14.447 18.631 ( -5.202 0.639 -3.089) 6.083 18.940 ( 0.040 -7.430 -17.183) 18.720 19.270 ( -17.159 -6.916 -1.789) 18.586 20.367 ( -5.697 -24.558 2.363) 25.320 21.088 ( -10.255 5.045 -2.282) 11.654 21.840 ( 7.902 -7.536 -15.335) 18.825 23.188 ( -1.916 5.192 -11.679) 12.923 23.788 ( 5.739 -6.476 -8.663) 12.244 ======================= Grid point 264 (130/312) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( 10.914 18.278 13.897) 25.423 3.935 ( 16.894 17.858 15.929) 29.292 4.880 ( -8.440 -4.557 -6.611) 11.649 4.972 ( -19.271 -0.712 -3.834) 19.662 5.235 ( 1.064 -5.036 10.283) 11.499 5.753 ( -11.002 -1.506 -7.998) 13.685 6.590 ( -9.863 -6.401 12.433) 17.112 6.842 ( 5.351 7.421 2.487) 9.481 7.201 ( 10.568 19.814 -5.134) 23.035 7.516 ( 7.792 14.194 10.580) 19.342 7.868 ( -0.011 10.988 -2.209) 11.208 8.285 ( -2.970 -0.841 -7.336) 7.959 8.873 ( 4.524 -6.196 -2.719) 8.139 9.321 ( 3.870 -7.492 5.591) 10.117 9.526 ( 1.383 0.356 5.462) 5.645 9.878 ( -0.060 -3.724 0.550) 3.765 11.700 ( 1.970 -1.710 8.232) 8.635 12.066 ( -2.041 2.581 3.401) 4.732 12.385 ( 5.059 -13.390 7.972) 16.384 12.634 ( 2.044 -4.951 4.757) 7.164 13.565 ( -1.868 10.627 31.259) 33.069 13.884 ( -13.245 15.577 20.034) 28.626 14.398 ( 7.908 7.226 2.633) 11.031 14.710 ( 16.205 18.994 -3.095) 25.159 15.146 ( 9.050 12.532 -5.029) 16.256 15.515 ( 2.683 2.707 6.659) 7.673 16.389 ( 0.091 21.243 4.292) 21.672 17.561 ( -8.310 -8.382 7.374) 13.917 18.421 ( -12.242 -0.518 -8.188) 14.737 18.875 ( -2.923 -9.161 -12.258) 15.580 18.964 ( -10.718 -3.163 -3.882) 11.830 20.215 ( -8.965 -17.682 -0.721) 19.838 20.907 ( -7.329 4.275 2.398) 8.817 21.980 ( 10.025 -16.075 -10.734) 21.775 23.124 ( -0.461 3.291 -12.020) 12.471 23.837 ( 2.505 -9.318 -9.731) 13.704 ======================= Grid point 265 (131/312) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.019 ( 13.639 6.616 10.035) 18.179 4.302 ( 12.298 10.059 4.857) 16.614 4.539 ( -19.496 -1.576 8.318) 21.255 4.776 ( -1.601 -4.460 0.090) 4.739 5.236 ( -6.219 2.055 3.917) 7.632 5.485 ( -8.568 -7.262 -11.828) 16.311 6.471 ( -5.939 -4.788 10.379) 12.881 6.766 ( -9.486 -4.729 -1.292) 10.678 7.271 ( 3.632 3.851 -22.875) 23.480 7.669 ( 2.450 19.449 5.229) 20.288 8.070 ( 12.426 18.531 14.281) 26.490 8.179 ( -4.584 6.901 -2.646) 8.697 9.012 ( 8.681 -1.723 2.541) 9.208 9.455 ( 6.618 -4.864 11.320) 13.986 9.545 ( -0.483 2.633 2.401) 3.596 9.876 ( -0.662 -3.276 -0.241) 3.351 11.729 ( -1.919 0.207 5.597) 5.921 12.074 ( 1.759 1.092 6.438) 6.762 12.514 ( 3.065 -7.855 12.724) 15.265 12.753 ( 8.691 -5.069 5.117) 11.288 13.591 ( -6.364 15.333 17.110) 23.840 13.688 ( -12.751 18.877 32.972) 40.076 14.531 ( 3.836 2.994 0.877) 4.945 15.019 ( 15.403 21.419 -4.090) 26.697 15.378 ( 14.063 17.591 0.547) 22.528 15.568 ( -1.092 -5.046 12.205) 13.252 16.361 ( -4.020 17.331 0.606) 17.801 17.402 ( -9.540 -9.706 2.934) 13.922 18.181 ( -6.645 -1.581 -8.452) 10.867 18.652 ( -11.212 2.842 -7.678) 13.883 18.893 ( 1.661 -13.968 -9.207) 16.812 20.033 ( -7.847 -12.731 -4.181) 15.528 20.810 ( -3.679 4.948 4.687) 7.745 22.156 ( 10.153 -21.063 -5.160) 23.945 23.080 ( 0.338 1.142 -12.571) 12.627 23.827 ( 0.374 -11.585 -11.275) 16.170 ======================= Grid point 266 (132/312) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( -21.854 -0.233 1.243) 21.890 4.268 ( 6.707 -2.936 3.107) 7.953 4.559 ( -2.163 4.170 9.399) 10.507 4.871 ( 8.258 -2.847 8.592) 12.252 5.065 ( -2.527 8.674 2.039) 9.262 5.428 ( 5.517 -11.904 -11.922) 17.728 6.374 ( -8.392 -15.615 -0.429) 17.732 6.593 ( -5.482 14.130 8.391) 17.323 7.187 ( -4.323 -2.135 -21.957) 22.480 7.734 ( 3.084 13.525 -0.540) 13.883 8.050 ( -4.524 11.485 -1.482) 12.432 8.326 ( 4.846 15.910 17.178) 23.910 9.181 ( 5.344 3.635 3.033) 7.139 9.537 ( -0.284 4.220 4.263) 6.005 9.658 ( 7.145 -2.954 13.154) 15.258 9.847 ( -0.658 -6.447 -3.408) 7.322 11.672 ( -4.808 1.861 3.513) 6.239 12.154 ( 1.625 -2.432 11.889) 12.244 12.600 ( 2.217 0.029 12.147) 12.347 13.006 ( 12.943 -5.417 5.922) 15.230 13.431 ( -11.493 26.338 19.356) 34.647 13.638 ( -5.885 12.264 27.058) 30.285 14.541 ( -3.274 2.480 2.488) 4.802 15.273 ( 8.495 16.842 -3.759) 19.234 15.533 ( -4.785 -5.267 13.765) 15.495 15.667 ( 11.535 20.632 5.341) 24.233 16.241 ( -7.617 12.594 1.065) 14.757 17.216 ( -8.053 -10.399 -1.739) 13.267 18.137 ( 4.793 -2.591 -7.231) 9.054 18.445 ( -5.537 5.804 -10.071) 12.875 18.925 ( 4.760 -16.841 -8.533) 19.470 19.882 ( -5.055 -9.973 -7.794) 13.629 20.795 ( 0.366 6.736 6.758) 9.549 22.341 ( 9.202 -22.418 -1.259) 24.266 23.049 ( 0.999 -0.574 -12.593) 12.646 23.780 ( -0.543 -12.691 -13.380) 18.450 ======================= Grid point 267 (133/312) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -19.653 7.362 3.701) 21.311 4.194 ( -20.020 11.344 10.910) 25.466 4.474 ( 3.818 -9.864 -5.587) 11.962 5.050 ( 4.901 -3.960 5.924) 8.649 5.265 ( 15.839 3.208 3.791) 16.599 5.610 ( 15.107 -14.129 -3.842) 21.038 6.142 ( -11.303 -8.151 -7.938) 16.038 6.593 ( -0.852 21.973 14.531) 26.357 6.954 ( -12.415 3.668 -9.715) 16.185 7.764 ( 0.494 5.362 -4.905) 7.284 8.001 ( 1.559 10.799 -8.032) 13.548 8.429 ( 0.068 11.451 18.393) 21.666 9.202 ( -4.372 10.488 3.965) 12.034 9.566 ( 1.171 -2.728 3.133) 4.316 9.691 ( -4.906 -3.787 2.286) 6.605 9.932 ( 6.765 -7.486 3.364) 10.636 11.578 ( -5.607 3.276 3.920) 7.585 12.183 ( -3.413 -7.612 13.677) 16.021 12.726 ( 6.294 6.874 11.656) 14.924 13.141 ( -4.504 12.368 9.212) 16.066 13.451 ( 8.495 9.412 20.442) 24.054 13.615 ( -4.338 11.473 17.893) 21.693 14.434 ( -8.309 3.323 6.868) 11.281 15.163 ( -16.012 -9.042 1.052) 18.419 15.566 ( 1.415 21.733 -0.780) 21.793 15.845 ( 3.181 17.155 6.648) 18.671 16.111 ( -6.061 6.157 12.675) 15.339 17.119 ( 0.328 -6.929 -3.974) 7.994 18.270 ( 7.935 -1.245 -6.684) 10.449 18.390 ( 5.770 3.159 -12.376) 14.015 19.029 ( 8.513 -16.500 -6.884) 19.801 19.784 ( -1.196 -8.459 -10.629) 13.636 20.873 ( 4.675 8.354 7.795) 12.345 22.502 ( 6.701 -21.249 0.171) 22.281 23.034 ( 1.827 -1.546 -11.577) 11.822 23.719 ( -0.268 -12.207 -15.645) 19.845 ======================= Grid point 268 (134/312) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -13.379 18.366 6.012) 23.505 3.762 ( -24.598 17.340 12.761) 32.689 4.618 ( 11.383 -5.796 -5.440) 13.884 5.098 ( -1.992 -10.611 6.417) 12.560 5.579 ( 13.617 -4.223 -1.049) 14.295 5.877 ( -13.433 12.637 -5.551) 19.260 5.961 ( 18.568 -14.866 3.848) 24.095 6.604 ( -4.993 22.409 15.162) 27.513 6.703 ( -6.745 12.090 -4.662) 14.608 7.723 ( -2.011 -1.248 -6.530) 6.946 8.038 ( 4.512 8.215 -11.259) 14.650 8.489 ( 0.004 9.983 18.735) 21.229 9.057 ( -10.812 8.851 4.109) 14.564 9.545 ( -3.737 -3.187 -2.914) 5.711 9.616 ( -3.073 -10.748 4.400) 12.014 10.024 ( 1.243 -8.245 0.771) 8.373 11.487 ( -4.907 4.695 5.657) 8.839 12.130 ( -5.819 -9.686 11.561) 16.166 12.876 ( 1.400 12.018 12.331) 17.276 13.105 ( 0.241 13.492 17.314) 21.952 13.585 ( -3.369 11.263 8.807) 14.689 13.695 ( 6.595 1.372 10.922) 12.832 14.306 ( -6.083 3.447 13.972) 15.624 14.772 ( -21.488 -11.509 -1.233) 24.407 15.464 ( -8.273 20.577 -10.308) 24.457 15.815 ( -7.704 10.747 3.352) 13.641 16.137 ( 1.074 4.834 24.963) 25.450 17.202 ( 7.852 0.636 -0.754) 7.914 18.344 ( 4.386 3.329 -8.426) 10.065 18.589 ( 14.424 -3.154 -11.943) 18.990 19.218 ( 12.087 -13.658 -4.038) 18.680 19.778 ( 4.997 -8.722 -11.272) 15.103 21.018 ( 6.792 9.285 5.371) 12.696 22.594 ( 1.986 -18.765 0.006) 18.869 23.044 ( 3.249 -1.108 -10.771) 11.304 23.667 ( 0.830 -10.269 -16.747) 19.662 ======================= Grid point 269 (135/312) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -6.079 28.760 10.749) 31.299 3.352 ( -20.378 24.058 16.925) 35.784 4.864 ( 12.117 -1.315 -0.927) 12.223 5.057 ( -1.442 -13.188 5.527) 14.372 5.544 ( -16.476 25.663 4.429) 30.816 5.809 ( 8.422 -3.959 -3.669) 10.003 6.292 ( 8.093 -2.474 6.720) 10.807 6.516 ( -2.280 15.984 3.406) 16.501 6.685 ( 3.188 12.509 -1.366) 12.981 7.667 ( -0.619 -4.599 -6.404) 7.909 8.059 ( 0.167 7.049 -6.890) 9.858 8.558 ( -0.937 11.514 17.431) 20.911 8.858 ( -7.536 -0.152 2.500) 7.941 9.466 ( -3.165 -4.428 0.724) 5.491 9.535 ( -6.346 -13.643 0.763) 15.066 10.005 ( -2.111 -10.230 -2.051) 10.645 11.429 ( -3.025 5.053 6.876) 9.054 12.041 ( -6.291 -9.268 7.429) 13.441 12.857 ( -6.027 13.809 14.298) 20.771 13.250 ( 4.055 2.970 17.982) 18.671 13.548 ( -1.825 13.547 1.504) 13.752 13.718 ( -5.820 1.108 6.854) 9.060 14.326 ( -14.821 -8.461 -3.170) 17.358 14.376 ( 1.122 0.489 13.565) 13.620 15.235 ( -9.863 14.960 -8.902) 20.009 15.613 ( -12.344 8.798 2.008) 15.291 16.256 ( 1.072 6.411 24.789) 25.627 17.388 ( 9.171 3.535 5.238) 11.137 18.412 ( 5.029 2.221 -6.895) 8.819 18.804 ( 10.839 -2.492 -14.435) 18.223 19.471 ( 13.537 -11.678 -0.622) 17.889 19.913 ( 11.786 -10.885 -9.964) 18.886 21.155 ( 5.459 9.496 -0.902) 10.990 22.558 ( -5.813 -14.482 -1.352) 15.663 23.109 ( 7.536 -0.040 -10.637) 13.036 23.626 ( 0.436 -7.266 -15.872) 17.462 ======================= Grid point 270 (136/312) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( -10.226 26.467 25.505) 38.152 3.159 ( -1.418 37.916 13.365) 40.228 4.924 ( -4.359 -12.924 13.954) 19.513 5.245 ( 11.699 11.044 -4.463) 16.696 5.321 ( -2.548 31.192 12.261) 33.612 5.911 ( 3.262 -5.752 -6.386) 9.193 6.225 ( -10.859 20.019 -0.650) 22.784 6.552 ( 0.069 11.286 1.952) 11.453 6.818 ( 8.756 -0.435 1.815) 8.953 7.668 ( 2.701 -7.088 -7.779) 10.865 8.016 ( -2.019 5.974 1.180) 6.415 8.504 ( -6.508 -0.398 3.382) 7.345 8.860 ( 3.160 5.509 13.368) 14.800 9.346 ( -10.300 -11.773 3.869) 16.115 9.459 ( 0.532 -12.889 -5.208) 13.912 9.954 ( -1.791 -9.481 -1.984) 9.851 11.410 ( -1.451 3.600 6.959) 7.969 11.944 ( -4.959 -8.728 5.214) 11.311 12.753 ( -8.333 9.021 7.925) 14.616 13.285 ( -7.588 -1.592 15.614) 17.433 13.496 ( -4.724 6.782 2.610) 8.667 13.666 ( -0.147 9.395 9.292) 13.215 13.992 ( -10.185 -9.555 -8.259) 16.225 14.588 ( 9.847 4.297 11.363) 15.638 15.048 ( -5.887 11.664 -3.295) 13.475 15.358 ( -13.109 11.096 0.376) 17.179 16.334 ( -1.422 9.954 20.884) 23.179 17.582 ( 6.821 0.679 10.936) 12.907 18.496 ( 5.331 1.026 -4.323) 6.940 18.920 ( 6.666 -2.281 -16.569) 18.005 19.720 ( 9.686 -12.397 1.302) 15.786 20.141 ( 12.908 -15.419 -7.193) 21.357 21.223 ( 3.518 10.051 -9.166) 14.050 22.360 ( -12.279 -8.296 -4.450) 15.473 23.269 ( 11.396 0.016 -9.309) 14.715 23.554 ( -2.586 -2.895 -14.308) 14.826 ======================= Grid point 271 (137/312) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.601 ( -0.047 26.444 22.863) 34.957 3.974 ( 1.866 35.922 13.752) 38.510 4.585 ( 0.135 -19.180 15.228) 24.490 5.279 ( 3.932 -24.767 7.616) 26.208 5.890 ( 0.781 14.311 -0.301) 14.335 6.112 ( 2.536 11.223 -19.182) 22.368 6.587 ( 3.068 30.470 6.401) 31.286 6.688 ( -0.745 12.890 -0.047) 12.912 7.141 ( 5.848 11.333 -3.681) 13.274 7.442 ( 3.693 -14.158 -6.916) 16.184 8.063 ( 0.259 1.658 3.065) 3.494 8.358 ( -6.962 4.274 -4.093) 9.138 8.773 ( -11.387 -20.084 -0.058) 23.087 9.027 ( -1.153 -20.681 -3.544) 21.014 9.264 ( 0.290 11.561 15.645) 19.456 9.751 ( -0.303 -10.747 6.104) 12.364 11.470 ( -1.097 3.553 10.141) 10.801 11.727 ( -1.058 -8.837 11.285) 14.372 12.667 ( -12.086 4.580 -3.595) 13.415 12.939 ( -15.765 -8.223 2.118) 17.906 13.575 ( 3.257 5.323 5.092) 8.055 13.750 ( 1.986 -2.644 1.557) 3.655 14.098 ( 0.777 18.154 11.909) 21.725 14.706 ( -0.204 -8.843 11.520) 14.524 15.234 ( 3.178 9.627 8.676) 13.344 15.352 ( -5.327 7.161 3.090) 9.445 16.711 ( -0.617 21.987 20.814) 30.283 17.565 ( -0.759 -13.068 16.046) 20.708 18.638 ( 4.467 4.668 -7.500) 9.899 18.883 ( 4.159 -5.893 -14.795) 16.459 19.607 ( -2.019 -5.568 1.794) 6.188 19.895 ( 1.873 -19.607 -0.114) 19.697 21.503 ( 1.255 13.769 -18.023) 22.715 21.970 ( -8.390 -7.645 -12.287) 16.728 23.449 ( 0.278 0.235 -11.607) 11.613 23.459 ( 9.077 -0.450 -10.469) 13.863 ======================= Grid point 272 (138/312) ======================= q-point: ( 0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( 5.894 24.908 21.723) 33.571 4.061 ( 1.700 34.413 12.833) 36.767 4.677 ( 4.214 -17.095 11.058) 20.791 5.314 ( -3.739 -23.411 5.424) 24.320 5.709 ( -15.962 10.041 -1.351) 18.906 6.003 ( -7.369 0.723 -11.363) 13.563 6.750 ( 9.347 29.243 10.934) 32.590 6.783 ( 7.503 16.421 -2.409) 18.214 7.208 ( 4.110 15.435 -6.435) 17.220 7.541 ( 6.023 -3.013 4.511) 8.105 8.099 ( 0.134 3.848 2.504) 4.593 8.239 ( -1.121 0.477 -12.488) 12.548 8.613 ( -3.839 -21.024 -2.006) 21.466 8.956 ( -2.098 -25.176 -7.207) 26.271 9.361 ( 2.934 9.691 15.659) 18.648 9.752 ( -1.218 -9.204 4.187) 10.185 11.526 ( 2.711 3.724 11.404) 12.300 11.805 ( 4.033 -8.791 13.987) 17.005 12.420 ( -10.433 2.054 -6.035) 12.226 12.653 ( -12.112 -8.502 -1.157) 14.843 13.660 ( 1.592 9.682 12.288) 15.725 13.870 ( 7.855 -0.939 4.394) 9.049 14.190 ( 4.827 13.343 13.016) 19.255 14.690 ( -4.914 -6.436 20.675) 22.204 15.296 ( 0.057 13.118 -7.266) 14.996 15.384 ( 7.272 6.556 6.415) 11.705 16.764 ( -0.833 22.474 17.687) 28.611 17.571 ( -4.176 -12.934 14.519) 19.888 18.688 ( 2.310 3.167 -5.575) 6.815 18.890 ( 1.249 -5.263 -15.329) 16.255 19.464 ( -11.742 -3.010 1.427) 12.206 19.883 ( -2.932 -24.096 2.546) 24.407 21.428 ( -3.396 9.979 -15.822) 19.012 21.775 ( -5.168 -5.428 -15.226) 16.970 23.389 ( -1.626 4.953 -11.647) 12.761 23.584 ( 6.334 -4.596 -9.896) 12.617 ======================= Grid point 273 (139/312) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 9.384 23.254 19.070) 31.504 4.123 ( 1.191 29.446 8.793) 30.754 4.818 ( 6.686 -14.503 2.997) 16.249 5.133 ( -15.067 -14.858 3.305) 21.418 5.362 ( -16.955 6.001 -0.108) 17.985 5.804 ( -8.727 -10.966 -4.505) 14.721 6.733 ( -7.466 5.849 -0.286) 9.489 6.960 ( 1.760 9.377 -5.667) 11.097 7.409 ( 16.424 27.020 2.691) 31.735 7.689 ( 6.688 15.301 12.048) 20.592 8.037 ( -3.045 6.108 -5.195) 8.577 8.257 ( 4.092 -2.332 -8.098) 9.368 8.602 ( 3.893 -14.673 -5.301) 16.079 8.944 ( 3.338 -23.522 -2.586) 23.898 9.476 ( 3.153 5.258 12.915) 14.296 9.749 ( -0.086 -7.708 3.489) 8.461 11.635 ( 3.883 4.584 9.524) 11.260 11.967 ( 6.899 -8.961 13.441) 17.566 12.220 ( -7.549 0.867 -3.857) 8.521 12.481 ( -4.783 -9.353 3.116) 10.957 13.724 ( -1.164 11.845 23.022) 25.917 14.020 ( 2.397 -1.756 11.473) 11.852 14.388 ( 10.147 10.989 10.071) 18.032 14.738 ( 4.152 0.134 20.856) 21.266 15.292 ( 3.369 15.572 -13.922) 21.158 15.525 ( 4.554 4.014 4.073) 7.310 16.800 ( -0.959 21.741 12.229) 24.963 17.501 ( -7.120 -11.686 11.136) 17.642 18.662 ( -4.263 2.497 -5.623) 7.485 18.804 ( -4.060 -5.509 -15.294) 16.755 19.212 ( -12.389 1.386 1.944) 12.617 19.814 ( -5.188 -27.859 5.929) 28.951 21.264 ( -7.056 10.701 -11.221) 17.035 21.675 ( 0.373 -9.222 -15.644) 18.163 23.309 ( -2.000 7.154 -12.226) 14.306 23.640 ( 2.897 -8.353 -10.675) 13.861 ======================= Grid point 274 (140/312) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.115 ( -0.261 20.693 9.512) 22.776 4.296 ( 12.139 17.726 9.942) 23.673 4.752 ( -16.466 -9.022 -2.994) 19.013 4.962 ( -1.975 -5.245 -5.531) 7.874 5.087 ( -6.924 -2.286 10.819) 13.047 5.615 ( -9.259 -13.308 -3.398) 16.564 6.526 ( -11.386 2.833 -1.896) 11.885 6.854 ( -6.419 -5.220 -14.218) 16.450 7.562 ( -0.716 17.873 -5.130) 18.609 7.968 ( 3.725 19.137 5.189) 20.175 8.055 ( 13.924 10.635 10.611) 20.483 8.299 ( 2.689 3.564 -4.527) 6.359 8.728 ( 10.286 -7.344 -2.905) 12.968 9.077 ( 9.074 -16.532 4.872) 19.477 9.564 ( 1.591 3.193 8.630) 9.338 9.773 ( 0.853 -6.375 3.632) 7.386 11.734 ( 2.841 4.944 7.485) 9.409 12.073 ( -2.972 -7.030 -1.747) 7.830 12.194 ( 7.742 -0.217 14.546) 16.480 12.481 ( 2.284 -9.408 8.381) 12.805 13.783 ( -2.169 10.634 28.872) 30.845 14.032 ( -6.340 0.627 23.520) 24.367 14.601 ( 6.212 12.477 7.486) 15.820 15.003 ( 14.245 1.978 12.636) 19.144 15.352 ( 8.168 14.085 -13.353) 21.057 15.601 ( 2.814 4.810 2.486) 6.102 16.796 ( -3.131 19.120 5.473) 20.133 17.372 ( -8.743 -10.764 6.790) 15.441 18.448 ( -12.560 3.341 -8.031) 15.278 18.672 ( -4.701 -8.737 -10.245) 14.262 19.008 ( -8.806 6.157 0.590) 10.762 19.720 ( -6.488 -27.830 6.882) 29.393 21.111 ( -4.235 13.105 -7.626) 15.742 21.669 ( 3.765 -15.230 -11.822) 19.644 23.226 ( -1.679 7.236 -13.577) 15.476 23.630 ( 0.311 -11.299 -12.006) 16.490 ======================= Grid point 275 (141/312) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.121 ( -1.670 4.510 4.561) 6.628 4.394 ( -17.185 -8.697 -0.366) 19.263 4.542 ( 8.958 12.127 2.146) 15.229 4.879 ( -0.150 12.374 6.510) 13.983 5.119 ( 2.293 -12.465 -1.107) 12.722 5.404 ( -10.312 -4.875 -3.874) 12.046 6.307 ( -8.760 -2.531 -4.502) 10.169 6.686 ( -3.809 -9.430 -12.301) 15.961 7.468 ( -4.686 16.091 -11.390) 20.264 7.968 ( -1.486 4.561 0.532) 4.827 8.255 ( 0.790 7.903 1.642) 8.110 8.437 ( 8.295 12.548 10.966) 18.615 8.998 ( 15.359 1.387 3.493) 15.812 9.306 ( 9.979 -8.946 10.547) 17.055 9.600 ( -0.046 2.861 5.219) 5.952 9.789 ( -0.888 -5.434 2.974) 6.258 11.784 ( -0.947 4.968 6.861) 8.524 12.039 ( -0.511 -4.898 4.344) 6.567 12.424 ( 8.739 -0.435 15.729) 17.999 12.621 ( 8.762 -7.527 9.395) 14.889 13.829 ( -3.070 9.950 25.149) 27.220 13.968 ( -10.058 6.545 35.928) 37.879 14.658 ( -1.242 11.032 -0.596) 11.117 15.246 ( 1.515 -11.056 9.747) 14.817 15.540 ( 14.272 18.744 -3.956) 23.889 15.746 ( 12.881 11.898 1.078) 17.568 16.697 ( -7.787 15.667 -0.459) 17.501 17.199 ( -10.139 -10.808 1.482) 14.893 18.204 ( -7.597 4.042 -5.876) 10.420 18.544 ( -4.305 -12.107 -7.917) 15.093 18.851 ( -6.490 9.320 -1.978) 11.528 19.608 ( -6.456 -25.695 4.820) 26.928 21.049 ( 0.044 15.614 -4.419) 16.228 21.745 ( 6.960 -19.987 -6.327) 22.090 23.149 ( -0.905 6.179 -15.215) 16.447 23.577 ( -0.825 -13.247 -13.865) 19.193 ======================= Grid point 276 (142/312) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.025 ( -11.923 -0.931 1.781) 12.091 4.153 ( -1.506 -6.724 -2.941) 7.492 4.704 ( 3.683 8.515 5.877) 10.982 4.901 ( -3.170 7.355 5.496) 9.714 5.159 ( 3.446 -10.338 -5.137) 12.047 5.243 ( -0.834 -0.358 -3.447) 3.564 6.155 ( -3.504 -0.909 -8.222) 8.984 6.661 ( 4.340 -10.931 -6.444) 13.411 7.314 ( -6.578 17.248 -10.339) 21.158 7.916 ( -3.885 -1.652 -0.625) 4.267 8.254 ( -0.112 13.354 -1.210) 13.409 8.576 ( 2.039 6.877 11.800) 13.809 9.278 ( 9.013 6.046 7.809) 13.371 9.479 ( 1.721 -5.150 4.523) 7.068 9.655 ( 4.860 0.104 11.669) 12.641 9.744 ( -4.393 -4.555 0.743) 6.371 11.751 ( -4.204 5.832 6.701) 9.828 12.048 ( -2.103 -7.443 10.085) 12.710 12.647 ( 8.556 4.383 14.808) 17.655 12.885 ( 13.015 -6.583 10.166) 17.778 13.827 ( -5.758 13.097 21.991) 26.235 13.894 ( -10.142 11.440 40.381) 43.178 14.581 ( -5.175 4.602 -3.321) 7.680 15.146 ( -11.823 -17.669 5.878) 22.058 15.858 ( 15.753 24.365 3.089) 29.178 16.044 ( 12.277 15.142 4.728) 20.059 16.486 ( -12.133 11.731 -3.444) 17.225 16.996 ( -8.148 -12.268 -2.777) 14.987 18.136 ( 2.642 2.493 -4.630) 5.885 18.466 ( -0.428 -9.841 -7.488) 12.374 18.752 ( -1.738 6.960 -3.356) 7.920 19.507 ( -4.386 -23.734 1.093) 24.160 21.079 ( 3.973 18.543 -1.302) 19.009 21.892 ( 8.811 -22.398 -1.800) 24.136 23.087 ( 0.376 4.900 -16.481) 17.198 23.509 ( -0.451 -14.133 -16.140) 21.458 ======================= Grid point 277 (143/312) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( -7.768 10.456 -0.062) 13.026 4.216 ( 6.896 -8.795 -0.112) 11.177 4.516 ( -17.682 13.204 4.110) 22.447 4.943 ( -0.821 -5.534 3.589) 6.647 5.245 ( 8.485 -6.378 -1.000) 10.662 5.352 ( 11.205 -11.551 -3.762) 16.527 6.135 ( 4.354 9.843 -10.472) 15.017 6.761 ( 5.877 -10.452 -3.906) 12.611 7.151 ( -6.428 21.183 -3.440) 22.403 7.805 ( -6.073 -4.566 -4.789) 8.981 8.249 ( -0.100 15.239 -1.525) 15.315 8.628 ( -0.170 5.705 11.553) 12.886 9.388 ( -1.828 7.302 5.410) 9.270 9.452 ( -2.727 -4.504 4.322) 6.812 9.610 ( -8.533 -3.587 1.648) 9.402 9.810 ( 3.626 -6.428 10.149) 12.549 11.678 ( -5.353 6.614 8.044) 11.709 12.011 ( -5.391 -9.271 12.521) 16.486 12.876 ( 9.054 7.945 13.547) 18.128 13.158 ( 9.219 -4.907 9.436) 14.075 13.763 ( -8.867 16.147 34.734) 39.316 13.865 ( -4.087 11.691 21.264) 24.608 14.440 ( -8.415 -0.491 2.470) 8.784 14.860 ( -17.348 -18.366 0.986) 25.283 16.086 ( -4.223 24.824 0.726) 25.191 16.159 ( -0.860 14.824 -0.747) 14.868 16.244 ( -4.635 7.209 9.220) 12.588 16.960 ( 6.282 -10.611 -0.298) 12.335 18.257 ( 10.353 0.481 -5.163) 11.579 18.467 ( 3.202 -0.881 -9.943) 10.483 18.787 ( 6.583 -1.435 -1.752) 6.962 19.450 ( -0.743 -21.745 -2.680) 21.922 21.192 ( 7.109 20.761 0.494) 21.950 22.066 ( 8.301 -22.426 0.295) 23.914 23.053 ( 2.262 3.997 -16.705) 17.325 23.454 ( 1.180 -13.899 -18.213) 22.941 ======================= Grid point 278 (144/312) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( -1.314 22.633 1.938) 22.754 4.121 ( -18.579 18.520 10.862) 28.393 4.473 ( 14.264 -10.257 -3.133) 17.846 4.836 ( -8.916 -15.396 5.819) 18.719 5.430 ( 9.854 -6.130 -3.914) 12.248 5.657 ( 17.901 -14.266 0.249) 22.892 6.197 ( 4.219 18.765 -11.947) 22.641 6.825 ( 2.511 -3.864 -4.207) 6.240 7.061 ( -3.373 21.984 5.499) 22.911 7.656 ( -5.460 -5.473 -11.103) 13.529 8.230 ( -1.745 13.112 0.179) 13.229 8.682 ( 2.146 4.515 10.782) 11.885 9.225 ( -13.370 6.806 -0.257) 15.005 9.411 ( -6.536 -3.306 5.727) 9.298 9.457 ( -5.694 -6.186 4.996) 9.780 9.840 ( -3.343 -11.181 6.828) 13.521 11.602 ( -5.187 6.816 9.555) 12.832 11.935 ( -6.365 -9.756 12.839) 17.336 13.074 ( 4.557 8.761 12.929) 16.269 13.275 ( -1.146 2.284 15.517) 15.726 13.742 ( -2.591 8.189 8.130) 11.826 13.881 ( -1.528 12.359 22.371) 25.604 14.304 ( -6.035 -2.894 14.610) 16.070 14.479 ( -19.422 -15.989 -4.495) 25.555 15.803 ( -16.103 12.292 -5.936) 21.110 15.954 ( -13.393 2.865 3.885) 14.237 16.405 ( 5.838 21.981 15.659) 27.613 17.160 ( 9.942 -7.266 6.796) 14.065 18.446 ( 7.488 4.403 -8.443) 12.114 18.542 ( 9.968 -0.467 -10.366) 14.389 18.993 ( 13.297 -5.849 0.132) 14.527 19.473 ( 4.725 -19.384 -4.367) 20.424 21.347 ( 7.811 21.235 -1.421) 22.671 22.205 ( 5.063 -20.516 -0.440) 21.136 23.066 ( 4.890 3.854 -15.726) 16.914 23.434 ( 3.360 -12.528 -18.637) 22.707 ======================= Grid point 279 (145/312) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( -6.274 27.460 12.203) 30.697 3.866 ( -6.235 27.745 8.752) 29.753 4.648 ( -6.412 -18.944 10.711) 22.687 4.828 ( 14.643 -14.006 0.461) 20.268 5.604 ( 8.997 -0.330 -4.716) 10.163 5.971 ( 11.114 -7.389 -4.991) 14.249 6.239 ( 6.427 17.603 -4.968) 19.387 6.887 ( 5.059 3.861 -2.462) 6.824 6.995 ( -5.646 21.109 3.461) 22.123 7.527 ( -2.717 -6.965 -14.879) 16.652 8.176 ( -4.258 8.769 3.258) 10.278 8.782 ( 1.926 -5.601 5.221) 7.895 8.919 ( -13.803 16.826 5.024) 22.335 9.257 ( -9.079 -10.529 -0.182) 13.904 9.372 ( -6.716 -4.100 10.332) 12.987 9.766 ( -4.641 -14.442 5.243) 16.049 11.539 ( -4.522 6.140 9.727) 12.359 11.849 ( -6.413 -9.529 11.094) 15.968 13.082 ( -8.052 9.489 14.265) 18.930 13.301 ( -2.309 0.946 17.367) 17.545 13.650 ( -6.059 2.336 -7.968) 10.278 13.944 ( 0.699 12.558 14.773) 19.401 14.084 ( -16.311 -10.071 -5.379) 19.910 14.370 ( 5.727 -3.063 17.541) 18.705 15.476 ( -14.040 9.879 -2.848) 17.402 15.705 ( -13.097 -0.280 7.529) 15.110 16.545 ( 2.310 22.422 18.886) 29.407 17.358 ( 6.266 -8.692 11.813) 15.949 18.515 ( 4.616 7.268 -10.720) 13.750 18.727 ( 9.752 -4.455 -11.519) 15.737 19.279 ( 14.079 -5.627 1.432) 15.229 19.612 ( 9.867 -17.225 -3.212) 20.109 21.470 ( 5.672 20.060 -7.483) 22.149 22.247 ( -0.505 -17.129 -3.856) 17.565 23.145 ( 8.284 3.956 -13.719) 16.507 23.452 ( 4.236 -9.764 -16.607) 19.724 ======================= Grid point 280 (146/312) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.597 ( -7.422 26.269 20.861) 34.356 3.895 ( 1.833 35.825 10.252) 37.308 4.572 ( -4.315 -20.678 15.028) 25.924 5.114 ( 10.704 -19.867 4.935) 23.100 5.766 ( 8.938 11.145 -3.811) 14.786 6.069 ( 5.825 14.047 -14.903) 21.292 6.440 ( 9.696 3.571 4.759) 11.376 6.833 ( -9.485 25.700 1.125) 27.418 7.017 ( 7.445 6.228 -5.602) 11.207 7.445 ( -0.233 -11.684 -13.272) 17.684 8.095 ( -4.474 4.999 4.849) 8.278 8.564 ( -13.019 2.890 -1.087) 13.380 8.964 ( 4.090 -3.879 6.586) 8.668 9.036 ( -12.070 -10.887 1.438) 16.318 9.278 ( -5.482 -1.606 10.154) 11.650 9.732 ( -0.797 -13.202 6.425) 14.704 11.489 ( -3.701 4.647 9.144) 10.904 11.762 ( -5.441 -9.062 9.560) 14.252 12.909 ( -11.871 7.465 5.376) 15.019 13.219 ( -12.640 -6.117 12.345) 18.697 13.536 ( -1.288 3.241 -1.524) 3.806 13.803 ( -7.115 -8.300 -5.107) 12.067 14.038 ( 1.768 20.011 10.570) 22.700 14.577 ( 8.064 -5.344 11.357) 14.919 15.255 ( -7.454 9.575 3.809) 12.718 15.493 ( -10.689 1.123 9.090) 14.077 16.640 ( 0.348 21.908 21.074) 30.401 17.492 ( 2.539 -11.355 14.975) 18.963 18.574 ( 4.826 6.300 -9.624) 12.475 18.835 ( 5.910 -5.850 -13.937) 16.229 19.526 ( 8.832 -5.684 2.028) 10.697 19.797 ( 8.083 -17.063 -1.536) 18.943 21.517 ( 3.113 17.682 -14.472) 23.060 22.157 ( -5.927 -12.467 -8.538) 16.232 23.293 ( 10.371 2.549 -11.228) 15.496 23.470 ( 2.570 -5.168 -13.932) 15.080 ======================= Grid point 281 (147/312) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( -0.029 -23.318 17.927) 29.413 4.102 ( -0.029 23.318 17.927) 29.413 4.705 ( 2.808 -31.659 11.124) 33.674 4.705 ( 2.808 31.659 11.124) 33.674 6.112 ( -1.341 -8.126 -5.982) 10.179 6.112 ( -1.341 8.126 -5.982) 10.179 6.924 ( 7.606 -17.183 -13.421) 23.091 6.924 ( 7.606 17.183 -13.421) 23.091 7.256 ( 6.179 -14.945 1.752) 16.266 7.256 ( 6.179 14.945 1.752) 16.266 8.247 ( -3.510 -17.740 1.073) 18.116 8.247 ( -3.510 17.740 1.073) 18.116 8.660 ( -11.560 -13.527 -1.088) 17.827 8.660 ( -11.560 13.527 -1.088) 17.827 9.514 ( 0.840 -12.775 11.989) 17.540 9.514 ( 0.840 12.775 11.989) 17.540 11.571 ( -1.349 -6.673 11.863) 13.677 11.571 ( -1.349 6.673 11.863) 13.677 12.782 ( -14.381 -7.114 -2.292) 16.208 12.782 ( -14.381 7.114 -2.292) 16.208 13.674 ( 4.382 -4.626 2.797) 6.959 13.674 ( 4.382 4.626 2.797) 6.959 14.452 ( -1.185 -16.170 12.724) 20.610 14.452 ( -1.185 16.170 12.724) 20.610 15.376 ( -0.150 -4.005 9.360) 10.182 15.376 ( -0.150 4.005 9.360) 10.182 17.190 ( -0.906 -23.890 18.768) 30.394 17.190 ( -0.906 23.890 18.768) 30.394 18.754 ( 4.015 -6.615 -11.614) 13.956 18.754 ( 4.015 6.615 -11.614) 13.956 19.620 ( -0.728 -7.399 1.028) 7.505 19.620 ( -0.728 7.399 1.028) 7.505 21.769 ( -3.558 -12.368 -16.095) 20.607 21.769 ( -3.558 12.368 -16.095) 20.607 23.452 ( 5.135 -0.362 -11.264) 12.384 23.452 ( 5.135 0.362 -11.264) 12.384 ======================= Grid point 283 (148/312) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.215 ( 4.955 -21.679 16.838) 27.893 4.215 ( 4.955 21.679 16.838) 27.893 4.772 ( -0.151 -29.792 8.406) 30.956 4.772 ( -0.151 29.792 8.406) 30.956 5.904 ( -15.539 -8.796 -4.030) 18.305 5.904 ( -15.539 8.796 -4.030) 18.305 6.988 ( 2.256 -10.771 -10.304) 15.075 6.988 ( 2.256 10.771 -10.304) 15.075 7.504 ( 15.791 -11.816 3.119) 19.967 7.504 ( 15.791 11.816 3.119) 19.967 8.225 ( 0.534 -14.538 1.496) 14.625 8.225 ( 0.534 14.538 1.496) 14.625 8.467 ( -5.681 -20.784 -5.397) 22.212 8.467 ( -5.681 20.784 -5.397) 22.212 9.559 ( 0.138 -10.029 9.548) 13.847 9.559 ( 0.138 10.029 9.548) 13.847 11.640 ( 3.452 -7.478 13.437) 15.760 11.640 ( 3.452 7.478 13.437) 15.760 12.502 ( -11.778 -6.194 -4.543) 14.062 12.502 ( -11.778 6.194 -4.543) 14.062 13.808 ( 6.144 -5.305 7.053) 10.754 13.808 ( 6.144 5.305 7.053) 10.754 14.474 ( -0.391 -13.931 17.702) 22.530 14.474 ( -0.391 13.931 17.702) 22.530 15.443 ( 3.665 -1.612 3.330) 5.208 15.443 ( 3.665 1.612 3.330) 5.208 17.220 ( -2.446 -21.994 16.981) 27.894 17.220 ( -2.446 21.994 16.981) 27.894 18.778 ( 1.801 -5.617 -10.866) 12.364 18.778 ( 1.801 5.617 -10.866) 12.364 19.531 ( -7.835 -10.551 2.072) 13.305 19.531 ( -7.835 10.551 2.072) 13.305 21.625 ( -4.743 -9.305 -16.515) 19.540 21.625 ( -4.743 9.305 -16.515) 19.540 23.488 ( 2.279 -5.033 -11.086) 12.386 23.488 ( 2.279 5.033 -11.086) 12.386 ======================= Grid point 285 (149/312) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( 7.621 -17.332 14.476) 23.833 4.403 ( 7.621 17.332 14.476) 23.833 4.733 ( -5.840 -21.938 2.276) 22.816 4.733 ( -5.840 21.938 2.276) 22.816 5.555 ( -16.486 -12.377 -0.817) 20.631 5.555 ( -16.486 12.377 -0.817) 20.631 6.909 ( -6.404 -9.262 -11.429) 16.044 6.909 ( -6.404 9.262 -11.429) 16.044 7.818 ( 10.954 -9.917 3.152) 15.109 7.818 ( 10.954 9.917 3.152) 15.109 8.261 ( 3.107 -2.339 2.656) 4.710 8.261 ( 3.107 2.339 2.656) 4.710 8.453 ( 7.227 -16.016 -4.658) 18.178 8.453 ( 7.227 16.016 -4.658) 18.178 9.600 ( 1.026 -7.073 7.967) 10.703 9.600 ( 1.026 7.073 7.967) 10.703 11.776 ( 5.044 -9.109 10.461) 14.760 11.776 ( 5.044 9.109 10.461) 14.760 12.309 ( -5.918 -7.229 0.782) 9.375 12.309 ( -5.918 7.229 0.782) 9.375 13.923 ( 0.563 -7.824 16.873) 18.607 13.923 ( 0.563 7.824 16.873) 18.607 14.610 ( 8.352 -10.411 15.140) 20.184 14.610 ( 8.352 10.411 15.140) 20.184 15.521 ( 3.677 -5.654 -1.710) 6.958 15.521 ( 3.677 5.654 -1.710) 6.958 17.205 ( -4.368 -18.344 12.430) 22.585 17.205 ( -4.368 18.344 12.430) 22.585 18.722 ( -4.283 -3.382 -10.637) 11.955 18.722 ( -4.283 3.382 -10.637) 11.955 19.368 ( -8.538 -15.506 4.687) 18.311 19.368 ( -8.538 15.506 4.687) 18.311 21.478 ( -4.001 -10.619 -14.597) 18.489 21.478 ( -4.001 10.619 -14.597) 18.489 23.468 ( -0.068 -8.688 -11.939) 14.766 23.468 ( -0.068 8.688 -11.939) 14.766 ======================= Grid point 287 (150/312) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.474 ( -10.865 -12.176 9.087) 18.678 4.474 ( -10.865 12.177 9.087) 18.678 4.682 ( 6.890 -14.426 -2.005) 16.112 4.682 ( 6.890 14.426 -2.005) 16.112 5.291 ( -9.579 -16.509 2.830) 19.295 5.291 ( -9.579 16.509 2.830) 19.295 6.681 ( -10.652 -10.481 -14.110) 20.553 6.681 ( -10.652 10.481 -14.110) 20.553 7.890 ( -1.487 -13.782 -3.925) 14.407 7.890 ( -1.487 13.782 -3.925) 14.407 8.376 ( 5.008 -5.653 5.444) 9.310 8.376 ( 5.008 5.653 5.444) 9.310 8.726 ( 18.340 -14.121 4.316) 23.546 8.726 ( 18.340 14.121 4.316) 23.546 9.650 ( 1.141 -5.537 6.256) 8.432 9.650 ( 1.141 5.537 6.256) 8.432 11.880 ( 2.224 -9.389 4.919) 10.830 11.880 ( 2.224 9.389 4.919) 10.830 12.300 ( 3.285 -8.121 10.196) 13.442 12.300 ( 3.285 8.121 10.196) 13.442 13.962 ( -3.598 -6.935 25.627) 26.792 13.962 ( -3.598 6.935 25.627) 26.792 14.855 ( 8.754 -12.219 11.395) 18.863 14.855 ( 8.754 12.219 11.395) 18.863 15.601 ( 6.823 -6.694 -4.533) 10.578 15.601 ( 6.823 6.694 -4.533) 10.578 17.128 ( -6.791 -14.348 6.218) 17.049 17.128 ( -6.791 14.348 6.218) 17.049 18.539 ( -9.502 -5.406 -8.743) 13.998 18.539 ( -9.502 5.406 -8.743) 13.998 19.240 ( -6.269 -18.505 5.347) 20.257 19.240 ( -6.269 18.505 5.347) 20.257 21.380 ( -0.858 -14.004 -11.001) 17.829 21.380 ( -0.858 14.004 -11.001) 17.829 23.407 ( -1.360 -10.717 -13.512) 17.300 23.407 ( -1.360 10.717 -13.512) 17.300 ======================= Grid point 289 (151/312) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.229 ( -12.395 -6.926 2.056) 14.347 4.229 ( -12.395 6.926 2.056) 14.347 4.818 ( 5.706 -14.905 -3.119) 16.262 4.818 ( 5.706 14.905 -3.119) 16.262 5.188 ( -3.396 -15.004 5.564) 16.359 5.188 ( -3.396 15.004 5.564) 16.359 6.438 ( -6.951 -12.780 -15.134) 20.993 6.438 ( -6.951 12.780 -15.134) 20.993 7.808 ( -4.470 -15.745 -4.501) 16.975 7.808 ( -4.470 15.745 -4.501) 16.975 8.473 ( 3.058 -8.504 4.017) 9.890 8.473 ( 3.058 8.504 4.017) 9.890 9.116 ( 16.129 -9.684 10.537) 21.563 9.116 ( 16.129 9.684 10.537) 21.563 9.678 ( -0.448 -5.165 4.431) 6.820 9.678 ( -0.448 5.165 4.431) 6.820 11.909 ( -0.885 -7.187 5.953) 9.374 11.909 ( -0.885 7.187 5.953) 9.374 12.484 ( 9.823 -5.710 13.483) 17.632 12.484 ( 9.823 5.710 13.483) 17.632 13.975 ( -4.742 -4.378 30.313) 30.992 13.975 ( -4.742 4.378 30.313) 30.992 14.943 ( -3.727 -16.432 6.347) 18.005 14.943 ( -3.727 16.432 6.347) 18.005 15.822 ( 16.310 -5.741 -1.764) 17.381 15.822 ( 16.310 5.741 -1.764) 17.381 16.971 ( -10.072 -12.393 -0.006) 15.969 16.971 ( -10.072 12.393 -0.006) 15.969 18.334 ( -7.266 -8.760 -5.418) 12.605 18.334 ( -7.266 8.760 -5.418) 12.605 19.139 ( -5.371 -19.832 2.881) 20.747 19.139 ( -5.371 19.832 2.881) 20.747 21.375 ( 3.471 -17.426 -6.420) 18.893 21.375 ( 3.471 17.426 -6.420) 18.893 23.326 ( -1.404 -11.423 -15.554) 19.349 23.326 ( -1.404 11.423 -15.554) 19.349 ======================= Grid point 291 (152/312) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( -5.493 -3.420 -0.333) 6.479 4.046 ( -5.493 3.420 -0.333) 6.479 4.899 ( 2.660 -11.050 -1.616) 11.480 4.899 ( 2.660 11.050 -1.616) 11.480 5.123 ( -4.281 -10.115 1.928) 11.152 5.123 ( -4.281 10.115 1.928) 11.152 6.349 ( 3.383 -16.616 -13.284) 21.541 6.349 ( 3.383 16.616 -13.284) 21.541 7.692 ( -5.640 -17.751 -3.108) 18.883 7.692 ( -5.640 17.751 -3.108) 18.883 8.529 ( 1.371 -10.774 3.015) 11.271 8.529 ( 1.371 10.774 3.015) 11.271 9.395 ( 6.863 -4.901 10.711) 13.633 9.395 ( 6.863 4.901 10.711) 13.633 9.667 ( -1.763 -2.456 4.667) 5.561 9.667 ( -1.763 2.456 4.667) 5.561 11.890 ( -3.571 -7.948 8.731) 12.335 11.890 ( -3.571 7.948 8.731) 12.335 12.755 ( 11.866 -6.282 13.669) 19.160 12.755 ( 11.866 6.282 13.669) 19.160 13.983 ( -5.960 -2.564 34.157) 34.768 13.983 ( -5.960 2.564 34.157) 34.768 14.792 ( -11.121 -16.140 -0.274) 19.602 14.792 ( -11.121 16.140 -0.274) 19.602 16.176 ( 16.300 -4.408 4.215) 17.404 16.176 ( 16.300 4.408 4.215) 17.404 16.730 ( -12.309 -13.760 -4.539) 19.011 16.730 ( -12.309 13.760 -4.539) 19.011 18.245 ( 0.477 -8.969 -3.473) 9.630 18.245 ( 0.477 8.969 -3.473) 9.630 19.054 ( -3.173 -20.469 -0.536) 20.720 19.054 ( -3.173 20.469 -0.536) 20.720 21.468 ( 6.992 -20.515 -2.257) 21.791 21.468 ( 6.992 20.515 -2.257) 21.791 23.250 ( -0.214 -11.313 -17.652) 20.967 23.250 ( -0.214 11.313 -17.652) 20.967 ======================= Grid point 293 (153/312) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.023 ( 3.402 -10.414 -1.000) 11.001 4.023 ( 3.402 10.414 -1.000) 11.001 4.783 ( -13.434 -11.913 3.222) 18.242 4.783 ( -13.434 11.913 3.222) 18.242 5.184 ( 10.392 -3.499 -2.540) 11.256 5.184 ( 10.392 3.499 -2.540) 11.256 6.444 ( 9.062 -18.391 -12.079) 23.796 6.444 ( 9.062 18.391 -12.079) 23.796 7.565 ( -6.109 -18.222 -1.401) 19.270 7.565 ( -6.109 18.222 -1.401) 19.270 8.552 ( 0.077 -12.487 2.273) 12.693 8.552 ( 0.077 12.487 2.273) 12.693 9.437 ( -4.204 -3.345 3.974) 6.683 9.437 ( -4.204 3.345 3.974) 6.683 9.657 ( -2.710 -8.094 10.039) 13.177 9.657 ( -2.710 8.094 10.039) 13.177 11.831 ( -5.574 -8.643 10.804) 14.916 11.831 ( -5.574 8.643 10.804) 14.916 13.030 ( 10.305 -7.449 12.646) 17.933 13.030 ( 10.305 7.449 12.646) 17.933 13.974 ( -7.214 -2.988 36.438) 37.265 13.974 ( -7.214 2.988 36.438) 37.265 14.531 ( -13.207 -12.096 -5.815) 18.830 14.531 ( -13.207 12.096 -5.815) 18.830 16.276 ( -12.407 -1.938 0.910) 12.590 16.276 ( -12.407 1.938 0.910) 12.590 16.646 ( 9.309 -21.777 3.125) 23.889 16.646 ( 9.309 21.777 3.125) 23.889 18.327 ( 8.398 -7.193 -4.091) 11.790 18.327 ( 8.398 7.193 -4.091) 11.790 19.025 ( 1.312 -19.545 -2.894) 19.802 19.025 ( 1.312 19.545 -2.894) 19.802 21.624 ( 8.505 -22.277 -0.169) 23.846 21.624 ( 8.505 22.277 -0.169) 23.846 23.202 ( 2.039 -10.773 -19.044) 21.975 23.202 ( 2.039 10.773 -19.044) 21.975 ======================= Grid point 295 (154/312) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( 9.108 -19.332 0.957) 21.392 4.158 ( 9.108 19.332 0.957) 21.392 4.502 ( -14.511 -17.795 5.956) 23.721 4.502 ( -14.511 17.795 5.956) 23.721 5.437 ( 14.692 -6.820 -2.233) 16.351 5.437 ( 14.692 6.820 -2.233) 16.351 6.576 ( 7.791 -18.155 -12.727) 23.500 6.576 ( 7.791 18.155 -12.727) 23.500 7.447 ( -5.041 -15.877 -0.663) 16.671 7.447 ( -5.041 15.877 -0.663) 16.671 8.545 ( -1.778 -15.592 2.086) 15.831 8.545 ( -1.778 15.592 2.086) 15.831 9.322 ( -7.155 -5.988 0.907) 9.374 9.322 ( -7.155 5.988 0.907) 9.374 9.582 ( -8.614 -13.866 11.989) 20.253 9.582 ( -8.614 13.866 11.989) 20.253 11.753 ( -5.994 -8.473 11.969) 15.842 11.753 ( -5.994 8.473 11.969) 15.842 13.223 ( 3.479 -6.009 13.445) 15.132 13.223 ( 3.479 6.009 13.445) 15.132 13.951 ( -6.843 -8.538 23.435) 25.864 13.951 ( -6.843 8.538 23.435) 25.864 14.263 ( -9.839 -3.621 -1.278) 10.561 14.263 ( -9.839 3.621 -1.278) 10.561 15.950 ( -17.111 -3.310 -0.273) 17.430 15.950 ( -17.111 3.310 -0.273) 17.430 16.870 ( 7.987 -21.417 11.221) 25.463 16.870 ( 7.987 21.417 11.221) 25.463 18.507 ( 10.015 -3.520 -7.131) 12.789 18.507 ( 10.015 3.520 -7.131) 12.789 19.106 ( 8.145 -15.461 -2.336) 17.630 19.106 ( 8.145 15.461 -2.336) 17.630 21.784 ( 7.167 -22.073 -1.635) 23.265 21.784 ( 7.167 22.073 -1.635) 23.265 23.204 ( 4.943 -9.905 -18.613) 21.657 23.204 ( 4.943 9.905 -18.613) 21.657 ======================= Grid point 297 (155/312) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.219 ( -9.564 -23.491 11.412) 27.812 4.219 ( -9.564 23.491 11.412) 27.812 4.415 ( 7.856 -25.852 4.442) 27.382 4.415 ( 7.856 25.852 4.442) 27.382 5.732 ( 15.286 -11.458 -3.316) 19.389 5.732 ( 15.286 11.458 -3.316) 19.389 6.669 ( 6.738 -20.321 -12.742) 24.914 6.669 ( 6.738 20.321 -12.742) 24.914 7.356 ( -3.994 -13.336 -2.227) 14.099 7.356 ( -3.994 13.336 -2.227) 14.099 8.481 ( -5.572 -19.700 1.991) 20.569 8.481 ( -5.572 19.700 1.991) 20.569 9.160 ( -10.037 -3.281 0.265) 10.563 9.160 ( -10.037 3.281 0.265) 10.563 9.452 ( -6.608 -14.724 13.775) 21.219 9.452 ( -6.608 14.724 13.775) 21.219 11.676 ( -5.871 -7.833 11.441) 15.058 11.676 ( -5.871 7.834 11.441) 15.058 13.242 ( -6.927 -6.373 15.998) 18.561 13.242 ( -6.927 6.373 15.998) 18.561 13.790 ( -9.502 -11.337 -7.003) 16.367 13.790 ( -9.502 11.337 -7.003) 16.367 14.243 ( 3.301 -9.903 15.984) 19.091 14.243 ( 3.301 9.903 15.984) 19.091 15.634 ( -14.610 -6.086 4.619) 16.487 15.634 ( -14.610 6.086 4.619) 16.487 17.029 ( 3.460 -23.177 15.273) 27.972 17.029 ( 3.460 23.177 15.273) 27.972 18.640 ( 6.479 -4.834 -10.640) 13.363 18.640 ( 6.479 4.834 -10.640) 13.363 19.321 ( 12.417 -10.066 -0.075) 15.985 19.321 ( 12.417 10.066 -0.075) 15.985 21.877 ( 3.306 -20.117 -6.723) 21.467 21.877 ( 3.306 20.117 -6.723) 21.467 23.268 ( 7.269 -8.206 -15.976) 19.375 23.268 ( 7.269 8.206 -15.976) 19.375 ======================= Grid point 299 (156/312) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.099 ( -5.886 -23.773 16.040) 29.276 4.099 ( -5.886 23.773 16.040) 29.276 4.588 ( 5.635 -30.691 9.189) 32.529 4.588 ( 5.635 30.691 9.189) 32.529 6.002 ( 12.222 -11.846 -5.435) 17.867 6.002 ( 12.222 11.846 -5.435) 17.867 6.786 ( 9.558 -22.271 -12.758) 27.388 6.786 ( 9.558 22.271 -12.758) 27.388 7.261 ( -4.138 -14.049 -2.287) 14.823 7.261 ( -4.138 14.049 -2.287) 14.823 8.352 ( -6.943 -19.713 1.461) 20.951 8.352 ( -6.943 19.713 1.461) 20.951 8.917 ( -13.523 -6.320 1.073) 14.965 8.917 ( -13.523 6.320 1.073) 14.965 9.449 ( 0.371 -14.305 13.798) 19.878 9.449 ( 0.371 14.305 13.798) 19.878 11.602 ( -5.076 -6.943 10.541) 13.604 11.602 ( -5.076 6.943 10.541) 13.604 13.066 ( -13.866 -8.372 7.046) 17.664 13.066 ( -13.866 8.372 7.046) 17.664 13.646 ( -2.127 -7.212 -3.091) 8.130 13.646 ( -2.127 7.212 -3.091) 8.130 14.384 ( 4.113 -14.010 11.091) 18.337 14.384 ( 4.113 14.010 11.091) 18.337 15.423 ( -8.485 -6.948 10.229) 14.997 15.423 ( -8.485 6.948 10.229) 14.997 17.127 ( 0.723 -24.175 17.891) 30.084 17.127 ( 0.723 24.175 17.891) 30.084 18.709 ( 4.725 -6.738 -11.945) 14.506 18.709 ( 4.725 6.738 -11.945) 14.506 19.541 ( 8.100 -7.504 0.849) 11.074 19.541 ( 8.100 7.504 0.849) 11.074 21.867 ( -0.821 -16.725 -12.588) 20.949 21.867 ( -0.821 16.725 -12.588) 20.949 23.367 ( 7.306 -4.780 -12.926) 15.598 23.367 ( 7.306 4.780 -12.926) 15.598 ======================= Grid point 341 (157/312) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 0.131 0.000 36.534) 36.534 2.262 ( 14.020 0.000 36.606) 39.199 4.634 ( 6.083 0.000 -21.805) 22.638 4.644 ( -5.288 0.000 42.169) 42.500 4.899 ( -3.885 0.000 2.485) 4.612 5.743 ( -6.644 0.000 20.085) 21.156 5.970 ( -4.643 0.000 16.454) 17.097 6.247 ( -1.776 0.000 -3.198) 3.657 7.214 ( 0.408 0.000 -5.123) 5.140 7.742 ( 1.082 0.000 13.350) 13.394 8.315 ( 5.719 0.000 20.709) 21.484 8.689 ( 3.124 0.000 5.620) 6.430 9.132 ( -6.388 0.000 -30.959) 31.611 9.150 ( -8.920 0.000 9.958) 13.369 9.672 ( 8.491 0.000 -0.276) 8.496 9.957 ( -6.961 0.000 -9.119) 11.472 11.734 ( 10.257 0.000 17.645) 20.410 12.193 ( 23.366 0.000 -2.589) 23.509 12.703 ( -18.245 0.000 -2.579) 18.426 12.922 ( 7.976 0.000 -1.904) 8.200 13.106 ( 2.253 0.000 2.400) 3.292 13.767 ( -7.407 0.000 10.654) 12.976 13.870 ( 2.300 0.000 -18.032) 18.178 14.145 ( -27.038 0.000 -8.883) 28.460 14.451 ( -6.521 0.000 14.944) 16.305 14.701 ( 20.387 0.000 2.183) 20.503 15.345 ( -25.190 0.000 20.320) 32.364 18.060 ( 3.357 0.000 13.444) 13.857 18.513 ( 10.263 0.000 -31.749) 33.367 18.729 ( 1.839 0.000 1.894) 2.640 20.546 ( -6.184 0.000 -4.868) 7.870 20.618 ( 30.205 0.000 -6.327) 30.861 21.424 ( -10.310 0.000 7.478) 12.737 22.544 ( -1.859 0.000 -16.463) 16.567 22.549 ( -23.439 0.000 11.387) 26.059 23.467 ( 11.945 0.000 -8.024) 14.390 ======================= Grid point 342 (158/312) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 19.105 0.000 33.277) 38.371 2.793 ( 23.454 0.000 29.980) 38.064 4.689 ( 7.476 0.000 -24.693) 25.800 4.717 ( 6.283 0.000 -13.061) 14.494 5.032 ( 8.398 0.000 52.311) 52.980 5.668 ( -7.712 0.000 18.000) 19.583 5.997 ( 1.772 0.000 22.590) 22.659 6.136 ( -8.339 0.000 -2.019) 8.580 7.212 ( 0.999 0.000 -6.703) 6.777 7.764 ( -5.724 0.000 17.265) 18.190 8.438 ( -0.489 0.000 19.823) 19.829 8.729 ( -2.485 0.000 -5.061) 5.639 8.951 ( 1.468 0.000 -32.729) 32.761 9.044 ( -4.419 0.000 17.732) 18.275 9.767 ( 0.511 0.000 0.557) 0.756 9.803 ( -4.488 0.000 -8.964) 10.025 11.963 ( 7.625 0.000 12.940) 15.019 12.339 ( -15.018 0.000 -6.662) 16.429 12.741 ( 25.802 0.000 -1.485) 25.845 13.019 ( -7.802 0.000 -2.390) 8.160 13.172 ( 15.063 0.000 3.060) 15.371 13.574 ( -23.406 0.000 -10.121) 25.500 13.780 ( -1.854 0.000 26.119) 26.185 13.849 ( 1.493 0.000 -21.767) 21.818 14.421 ( 4.719 0.000 3.221) 5.713 15.018 ( -16.258 0.000 31.630) 35.564 15.140 ( 20.855 0.000 4.380) 21.310 18.119 ( -2.025 0.000 12.146) 12.314 18.595 ( 9.119 0.000 -31.774) 33.056 18.735 ( -1.874 0.000 0.818) 2.045 20.206 ( -23.535 0.000 -7.714) 24.767 20.699 ( -18.003 0.000 -11.460) 21.341 21.588 ( 23.701 0.000 4.501) 24.124 22.207 ( -14.917 0.000 15.773) 21.710 22.567 ( 7.746 0.000 -13.382) 15.462 23.679 ( 11.572 0.000 -7.171) 13.614 ======================= Grid point 343 (159/312) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 27.886 0.000 26.877) 38.730 3.326 ( 19.465 0.000 26.014) 32.490 4.765 ( 9.044 0.000 -23.908) 25.562 4.815 ( 7.736 0.000 -15.784) 17.577 5.507 ( 20.097 0.000 36.950) 42.062 5.581 ( -6.766 0.000 22.595) 23.586 5.909 ( -13.613 0.000 0.348) 13.618 6.247 ( 15.261 0.000 27.766) 31.684 7.153 ( -6.734 0.000 -8.582) 10.908 7.618 ( -12.697 0.000 16.554) 20.862 8.475 ( -0.400 0.000 12.214) 12.221 8.499 ( -15.763 0.000 -13.083) 20.485 8.979 ( 10.195 0.000 -24.415) 26.458 9.103 ( 1.040 0.000 20.119) 20.146 9.689 ( -8.384 0.000 1.512) 8.519 9.739 ( 1.167 0.000 -6.400) 6.505 12.073 ( -9.154 0.000 -5.326) 10.591 12.130 ( 4.562 0.000 11.982) 12.821 12.658 ( -16.377 0.000 -3.887) 16.832 13.133 ( -14.217 0.000 -11.163) 18.076 13.290 ( 14.571 0.000 5.049) 15.422 13.531 ( 16.273 0.000 -1.399) 16.333 13.738 ( -5.214 0.000 18.484) 19.206 13.810 ( 2.982 0.000 -16.229) 16.500 14.742 ( 13.720 0.000 21.484) 25.491 14.933 ( 3.689 0.000 22.791) 23.088 15.544 ( 17.490 0.000 4.729) 18.118 18.069 ( -6.452 0.000 8.898) 10.991 18.654 ( -6.401 0.000 -0.339) 6.410 18.655 ( 7.878 0.000 -30.747) 31.740 19.634 ( -28.790 0.000 -9.783) 30.407 20.203 ( -23.285 0.000 -13.936) 27.136 21.861 ( -6.596 0.000 11.254) 13.045 22.247 ( 19.318 0.000 6.019) 20.234 22.698 ( 8.696 0.000 -11.262) 14.228 23.866 ( 9.312 0.000 -6.707) 11.476 ======================= Grid point 344 (160/312) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.759 ( 28.190 0.000 18.793) 33.880 3.766 ( 16.492 0.000 22.887) 28.210 4.843 ( -3.124 0.000 -1.565) 3.494 4.906 ( 12.634 0.000 -17.211) 21.350 5.599 ( 1.548 0.000 21.113) 21.169 5.617 ( -15.269 0.000 3.964) 15.775 6.041 ( 24.741 0.000 11.826) 27.422 6.793 ( 26.875 0.000 30.869) 40.929 6.815 ( -23.382 0.000 -4.929) 23.896 7.474 ( -6.655 0.000 10.957) 12.819 8.043 ( -24.867 0.000 -12.442) 27.806 8.502 ( -0.328 0.000 3.905) 3.919 9.105 ( -9.183 0.000 2.171) 9.436 9.138 ( 12.413 0.000 -19.573) 23.177 9.512 ( -8.079 0.000 15.341) 17.338 9.810 ( 7.161 0.000 -1.491) 7.315 11.945 ( -2.142 0.000 -1.590) 2.667 12.214 ( -3.621 0.000 11.614) 12.165 12.330 ( -11.120 0.000 -1.859) 11.274 12.919 ( -3.279 0.000 -8.896) 9.481 13.268 ( -12.853 0.000 9.021) 15.703 13.627 ( 0.119 0.000 -23.341) 23.342 13.915 ( 10.328 0.000 17.731) 20.520 14.038 ( 18.265 0.000 5.128) 18.971 14.846 ( -1.090 0.000 25.790) 25.813 15.446 ( 27.340 0.000 19.255) 33.440 15.861 ( 12.125 0.000 5.533) 13.328 17.939 ( -8.545 0.000 5.021) 9.911 18.479 ( -10.401 0.000 -1.384) 10.493 18.690 ( 5.828 0.000 -31.725) 32.256 19.042 ( -25.158 0.000 -8.855) 26.670 19.727 ( -17.496 0.000 -21.588) 27.788 21.714 ( -10.230 0.000 16.123) 19.094 22.678 ( 19.487 0.000 2.822) 19.690 22.815 ( 6.609 0.000 -10.362) 12.290 23.995 ( 5.735 0.000 -7.005) 9.053 ======================= Grid point 345 (161/312) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( 16.572 0.000 18.599) 24.911 4.318 ( 21.466 0.000 10.252) 23.789 4.692 ( -12.656 0.000 11.277) 16.951 5.039 ( -2.534 0.000 -9.196) 9.539 5.484 ( 7.794 0.000 11.519) 13.908 5.745 ( 4.000 0.000 21.355) 21.726 6.265 ( -28.923 0.000 -0.068) 28.923 6.604 ( 29.828 0.000 -4.634) 30.185 7.390 ( -5.007 0.000 5.269) 7.269 7.391 ( -6.160 0.000 0.439) 6.175 7.483 ( 0.263 0.000 18.530) 18.532 8.475 ( -2.874 0.000 -2.579) 3.861 8.706 ( -25.817 0.000 -12.001) 28.470 9.308 ( 10.798 0.000 -18.863) 21.735 9.526 ( -0.276 0.000 24.866) 24.867 9.992 ( 9.963 0.000 1.882) 10.139 11.970 ( -13.902 0.000 -0.232) 13.904 11.987 ( 6.084 0.000 3.774) 7.159 12.318 ( -0.082 0.000 10.663) 10.664 12.932 ( 6.681 0.000 -6.445) 9.283 13.018 ( -13.761 0.000 7.112) 15.490 13.511 ( -2.904 0.000 -22.208) 22.398 14.105 ( 0.337 0.000 28.015) 28.017 14.405 ( 15.463 0.000 2.786) 15.712 14.957 ( 4.376 0.000 13.401) 14.098 16.014 ( 20.256 0.000 25.870) 32.857 16.060 ( 4.938 0.000 9.334) 10.560 17.783 ( -7.556 0.000 0.525) 7.575 18.262 ( -9.323 0.000 -2.251) 9.591 18.458 ( -17.012 0.000 -21.976) 27.791 18.816 ( 5.988 0.000 -18.613) 19.552 19.354 ( -10.844 0.000 -29.983) 31.884 21.593 ( -7.667 0.000 18.501) 20.027 22.889 ( 4.413 0.000 -9.950) 10.885 23.027 ( 14.180 0.000 3.633) 14.638 24.040 ( 1.343 0.000 -8.255) 8.363 ======================= Grid point 346 (162/312) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.427 ( -17.377 0.000 17.132) 24.402 4.518 ( -13.919 0.000 10.785) 17.608 4.569 ( 15.879 0.000 14.755) 21.676 4.973 ( 12.211 0.000 -3.948) 12.833 5.650 ( -21.731 0.000 -6.690) 22.737 5.853 ( -1.301 0.000 14.655) 14.713 5.978 ( 20.403 0.000 24.580) 31.944 6.707 ( -32.059 0.000 4.039) 32.312 7.221 ( 26.476 0.000 -8.010) 27.662 7.312 ( -3.499 0.000 0.740) 3.576 7.971 ( 17.758 0.000 20.509) 27.128 8.083 ( -29.285 0.000 -13.206) 32.125 8.365 ( -6.432 0.000 -6.590) 9.209 9.431 ( 8.021 0.000 -17.571) 19.315 9.616 ( 0.283 0.000 22.677) 22.678 10.184 ( 8.042 0.000 0.318) 8.048 11.728 ( -9.955 0.000 -1.291) 10.039 12.214 ( 13.976 0.000 9.089) 16.671 12.330 ( -2.793 0.000 9.986) 10.369 12.792 ( -10.420 0.000 5.868) 11.959 13.096 ( 10.074 0.000 -9.565) 13.892 13.381 ( -1.934 0.000 -14.869) 14.994 14.158 ( -4.909 0.000 33.065) 33.428 14.629 ( 5.985 0.000 -3.478) 6.922 15.054 ( 0.555 0.000 5.970) 5.995 16.124 ( -3.016 0.000 16.901) 17.168 16.409 ( 9.204 0.000 29.697) 31.091 17.642 ( -6.525 0.000 -2.254) 6.903 18.122 ( -6.822 0.000 -22.703) 23.706 18.142 ( -0.967 0.000 -2.432) 2.617 18.942 ( 13.014 0.000 -19.474) 23.422 19.081 ( -4.715 0.000 -35.491) 35.803 21.539 ( -4.564 0.000 20.065) 20.578 22.928 ( 3.163 0.000 -9.678) 10.182 23.273 ( 8.992 0.000 4.620) 10.109 23.986 ( -3.663 0.000 -10.260) 10.894 ======================= Grid point 347 (163/312) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.048 ( -26.601 0.000 15.088) 30.582 4.053 ( -31.731 0.000 13.087) 34.324 4.929 ( 13.716 0.000 12.354) 18.459 5.152 ( -16.528 0.000 -0.207) 16.530 5.385 ( 18.388 0.000 -4.687) 18.976 5.669 ( -21.164 0.000 4.042) 21.546 6.248 ( -16.495 0.000 32.357) 36.319 6.553 ( 24.096 0.000 25.895) 35.372 7.213 ( -27.795 0.000 -19.089) 33.719 7.268 ( -0.132 0.000 -2.505) 2.508 7.938 ( 22.457 0.000 -5.099) 23.029 8.178 ( -9.146 0.000 -8.650) 12.588 8.312 ( 11.113 0.000 14.861) 18.557 9.508 ( 5.472 0.000 -15.680) 16.608 9.678 ( -1.824 0.000 19.466) 19.551 10.298 ( 3.824 0.000 -3.465) 5.161 11.555 ( -7.282 0.000 -1.512) 7.438 12.258 ( -6.960 0.000 3.757) 7.909 12.583 ( 18.231 0.000 11.481) 21.545 12.673 ( -3.332 0.000 7.743) 8.429 13.109 ( -2.453 0.000 -19.062) 19.219 13.458 ( 10.843 0.000 -1.856) 11.000 14.166 ( -5.613 0.000 33.267) 33.738 14.597 ( -6.649 0.000 -10.350) 12.302 15.001 ( -7.256 0.000 3.597) 8.098 16.056 ( -10.748 0.000 20.781) 23.396 16.593 ( -0.718 0.000 26.573) 26.583 17.520 ( -3.954 0.000 0.359) 3.970 18.038 ( 6.299 0.000 -27.978) 28.678 18.203 ( 6.796 0.000 -1.282) 6.916 18.935 ( 3.027 0.000 -33.335) 33.472 19.207 ( 19.773 0.000 -16.147) 25.528 21.545 ( -2.092 0.000 19.983) 20.092 22.957 ( 3.331 0.000 -9.354) 9.930 23.419 ( 3.843 0.000 4.978) 6.289 23.819 ( -8.973 0.000 -12.651) 15.510 ======================= Grid point 348 (164/312) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( -36.837 0.000 18.581) 41.258 3.438 ( -38.026 0.000 8.583) 38.982 4.840 ( -10.881 0.000 -7.839) 13.411 5.072 ( -13.651 0.000 32.323) 35.088 5.359 ( -2.011 0.000 5.271) 5.641 5.777 ( 18.074 0.000 1.116) 18.108 6.110 ( -12.631 0.000 31.945) 34.352 6.557 ( -26.696 0.000 -17.463) 31.900 7.043 ( 13.272 0.000 21.140) 24.960 7.330 ( 8.985 0.000 1.838) 9.171 7.962 ( -8.579 0.000 -8.502) 12.078 8.339 ( 13.545 0.000 0.977) 13.580 8.607 ( 17.549 0.000 5.016) 18.251 9.537 ( 2.719 0.000 -15.507) 15.744 9.670 ( -5.491 0.000 16.333) 17.231 10.315 ( -0.245 0.000 -6.481) 6.485 11.413 ( -6.665 0.000 0.915) 6.727 12.105 ( -7.486 0.000 -2.970) 8.054 12.704 ( 2.899 0.000 8.779) 9.246 12.885 ( 1.469 0.000 -6.920) 7.074 13.087 ( 12.418 0.000 5.056) 13.408 13.667 ( 10.007 0.000 -4.498) 10.972 14.166 ( -5.682 0.000 28.947) 29.499 14.322 ( -14.875 0.000 -14.643) 20.873 14.821 ( -11.413 0.000 6.146) 12.962 15.817 ( -19.537 0.000 14.238) 24.175 16.560 ( -10.049 0.000 14.388) 17.550 17.530 ( 3.927 0.000 6.181) 7.323 18.126 ( 11.704 0.000 -30.140) 32.333 18.363 ( 8.431 0.000 0.579) 8.451 19.001 ( 13.756 0.000 -20.569) 24.745 19.610 ( 24.805 0.000 -12.074) 27.588 21.585 ( -0.900 0.000 17.844) 17.867 23.005 ( 4.818 0.000 -8.645) 9.897 23.453 ( -2.429 0.000 4.232) 4.880 23.541 ( -13.685 0.000 -15.250) 20.491 ======================= Grid point 349 (165/312) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -39.058 0.000 14.484) 41.657 2.760 ( -34.377 0.000 25.152) 42.596 4.665 ( -3.218 0.000 -12.507) 12.915 4.843 ( -20.326 0.000 57.086) 60.597 5.346 ( -5.704 0.000 -11.589) 12.917 5.908 ( -12.913 0.000 17.708) 21.916 6.078 ( 11.361 0.000 0.060) 11.361 6.161 ( -10.934 0.000 5.088) 12.060 7.203 ( 2.372 0.000 3.851) 4.523 7.611 ( 8.446 0.000 12.408) 15.010 7.844 ( 2.314 0.000 1.341) 2.674 8.516 ( 5.421 0.000 3.203) 6.296 9.009 ( 18.905 0.000 2.365) 19.053 9.497 ( -1.052 0.000 -18.688) 18.718 9.571 ( -8.806 0.000 10.552) 13.744 10.250 ( -3.561 0.000 -7.917) 8.681 11.330 ( -1.894 0.000 9.061) 9.257 11.967 ( -3.992 0.000 -6.142) 7.326 12.802 ( -2.596 0.000 -7.049) 7.512 12.827 ( 6.039 0.000 7.495) 9.625 13.368 ( 3.678 0.000 9.049) 9.768 13.809 ( 5.793 0.000 -8.296) 10.118 14.022 ( -3.197 0.000 -14.601) 14.947 14.116 ( -8.151 0.000 16.889) 18.753 14.630 ( -10.372 0.000 14.990) 18.229 15.383 ( -26.460 0.000 3.930) 26.750 16.290 ( -19.782 0.000 4.132) 20.209 17.693 ( 8.383 0.000 10.434) 13.385 18.268 ( 12.581 0.000 -30.117) 32.639 18.525 ( 7.051 0.000 2.163) 7.375 19.348 ( 25.208 0.000 -5.838) 25.875 20.079 ( 24.386 0.000 -8.182) 25.722 21.618 ( -1.877 0.000 13.990) 14.115 23.073 ( 0.071 0.000 -6.878) 6.879 23.200 ( -9.135 0.000 -18.475) 20.609 23.331 ( -11.622 0.000 2.972) 11.996 ======================= Grid point 350 (166/312) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -17.156 0.000 31.318) 35.710 2.280 ( -21.816 0.000 32.678) 39.292 4.611 ( 2.685 0.000 -17.325) 17.532 4.683 ( -16.720 0.000 63.469) 65.634 5.084 ( -10.359 0.000 -19.108) 21.735 5.803 ( -6.402 0.000 19.287) 20.321 6.032 ( -6.566 0.000 13.189) 14.733 6.230 ( 4.469 0.000 -2.351) 5.049 7.227 ( 0.047 0.000 -1.821) 1.822 7.678 ( 0.955 0.000 6.240) 6.313 8.076 ( 10.725 0.000 18.664) 21.526 8.611 ( 3.275 0.000 3.568) 4.843 9.268 ( -1.834 0.000 12.497) 12.631 9.357 ( -5.241 0.000 -24.640) 25.191 9.485 ( 5.538 0.000 -2.434) 6.050 10.123 ( -6.097 0.000 -8.486) 10.449 11.448 ( 8.907 0.000 18.762) 20.769 11.939 ( 4.717 0.000 -6.297) 7.868 12.778 ( 1.654 0.000 0.389) 1.699 12.982 ( 6.687 0.000 6.091) 9.045 13.156 ( -19.017 0.000 -5.370) 19.761 13.862 ( 4.395 0.000 -15.450) 16.063 13.952 ( -11.319 0.000 5.433) 12.555 14.216 ( 17.866 0.000 0.953) 17.892 14.522 ( -7.487 0.000 21.852) 23.099 14.818 ( -28.282 0.000 -5.055) 28.731 15.833 ( -26.498 0.000 7.095) 27.431 17.901 ( 7.579 0.000 12.536) 14.649 18.405 ( 11.551 0.000 -30.555) 32.666 18.654 ( 4.796 0.000 2.537) 5.426 19.941 ( 33.892 0.000 -0.186) 33.893 20.466 ( 14.619 0.000 -5.085) 15.478 21.584 ( -6.338 0.000 9.375) 11.316 22.773 ( -13.835 0.000 -16.716) 21.699 23.001 ( -22.074 0.000 4.728) 22.574 23.271 ( 10.324 0.000 -9.390) 13.955 ======================= Grid point 351 (167/312) ======================= q-point: ( 0.00 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -1.127 19.683 33.262) 38.666 2.565 ( 12.407 25.208 31.304) 42.063 4.655 ( 5.102 6.859 3.881) 9.388 4.865 ( -5.841 16.346 3.155) 17.643 4.970 ( -1.447 7.553 12.003) 14.256 5.737 ( -5.039 -0.719 17.978) 18.684 6.013 ( -4.088 3.372 15.402) 16.288 6.246 ( -1.424 1.040 -0.807) 1.939 7.297 ( 1.030 6.119 -4.984) 7.959 7.676 ( 0.793 -5.886 10.889) 12.404 8.251 ( 4.720 -5.179 18.584) 19.861 8.642 ( 1.056 -7.310 -7.239) 10.342 9.062 ( -6.492 1.691 3.383) 7.513 9.258 ( -5.952 3.420 -9.743) 11.919 9.667 ( 5.696 -2.243 -3.892) 7.254 9.926 ( -4.046 -1.599 -6.891) 8.149 11.722 ( 10.852 -3.206 18.520) 21.703 12.077 ( 11.924 -1.333 0.463) 12.007 12.625 ( -12.483 -6.105 2.836) 14.183 12.999 ( -1.908 4.686 -2.959) 5.861 13.418 ( 0.558 16.000 -10.465) 19.126 13.715 ( -5.081 -2.944 10.614) 12.130 14.037 ( 6.380 18.824 -6.141) 20.803 14.324 ( -14.284 14.822 -9.582) 22.705 14.478 ( -7.294 -1.448 6.473) 9.859 14.630 ( 6.655 2.033 11.418) 13.371 15.538 ( -15.977 17.468 13.041) 27.027 18.053 ( 3.160 -0.904 14.169) 14.545 18.502 ( 9.483 -0.432 -30.304) 31.756 18.725 ( 2.694 -0.937 0.337) 2.872 20.363 ( -0.709 -12.530 -1.943) 12.700 20.666 ( 25.075 -0.955 -7.877) 26.300 21.337 ( -9.716 -8.071 6.809) 14.349 22.245 ( -16.229 -13.369 -1.563) 21.084 22.849 ( -9.514 13.424 -6.398) 17.654 23.449 ( 11.774 -1.824 -8.003) 14.353 ======================= Grid point 352 (168/312) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 15.130 12.983 29.453) 35.566 3.018 ( 18.947 18.662 29.262) 39.542 4.723 ( 1.345 3.859 -22.753) 23.117 4.823 ( 7.939 9.870 -9.557) 15.868 5.190 ( 11.467 15.355 41.041) 45.295 5.684 ( -6.190 1.572 16.440) 17.637 6.036 ( 0.663 2.514 20.905) 21.066 6.178 ( -4.942 5.508 2.277) 7.743 7.289 ( 0.362 6.539 -8.131) 10.441 7.673 ( -6.644 -8.644 16.600) 19.860 8.366 ( -0.445 -5.844 19.519) 20.380 8.580 ( -3.494 -13.507 -16.643) 21.717 8.943 ( -3.069 1.688 -12.772) 13.243 9.187 ( -0.147 8.599 7.842) 11.639 9.678 ( -1.539 -6.528 -5.948) 8.964 9.871 ( -0.988 4.022 -3.062) 5.151 11.973 ( 7.726 -2.210 16.027) 17.929 12.283 ( -5.714 -3.817 -2.197) 7.214 12.485 ( 10.194 -8.412 5.475) 14.306 12.907 ( -6.798 -7.575 -6.142) 11.887 13.449 ( 7.584 12.082 0.409) 14.271 13.708 ( -0.987 3.336 -2.726) 4.420 13.885 ( -16.353 15.670 -0.370) 22.652 14.198 ( -2.278 32.270 -1.581) 32.389 14.400 ( 6.125 -3.963 3.301) 8.008 14.846 ( 5.587 -3.040 17.689) 18.797 15.451 ( 3.278 20.213 12.281) 23.877 18.106 ( -2.396 -1.518 11.809) 12.145 18.569 ( 6.967 -1.724 -27.208) 28.139 18.745 ( 0.016 0.232 -3.472) 3.480 20.063 ( -22.710 -11.869 -6.302) 26.388 20.760 ( -16.390 3.300 -10.704) 19.852 21.508 ( 25.501 -8.100 3.469) 26.981 21.978 ( -11.915 -15.865 9.274) 21.901 22.739 ( 0.907 11.161 -9.254) 14.527 23.658 ( 11.333 -2.151 -7.336) 13.670 ======================= Grid point 353 (169/312) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 23.926 4.481 23.240) 33.655 3.479 ( 17.219 12.083 27.686) 34.771 4.705 ( 5.577 -1.862 -22.957) 23.698 4.929 ( 4.679 7.298 -11.833) 14.669 5.574 ( 3.597 2.994 33.123) 33.452 5.645 ( 3.450 7.679 3.895) 9.276 6.031 ( -3.563 12.974 10.904) 17.318 6.319 ( 15.313 7.463 28.723) 33.395 7.204 ( -8.640 4.539 -7.826) 12.510 7.547 ( -9.082 -6.881 15.825) 19.500 8.314 ( -13.009 -13.690 1.004) 18.912 8.423 ( -3.480 -6.732 -5.162) 9.170 8.913 ( 5.142 -3.668 -14.262) 15.598 9.266 ( 3.548 10.243 10.920) 15.387 9.629 ( -2.162 -3.625 -0.867) 4.309 9.813 ( -3.079 4.776 -3.945) 6.917 12.092 ( -7.408 1.971 -2.268) 7.994 12.135 ( 2.024 -3.898 13.683) 14.371 12.561 ( -6.608 -0.511 -1.571) 6.811 12.921 ( 7.022 -16.184 0.672) 17.655 13.427 ( -10.018 17.201 -1.186) 19.940 13.752 ( -0.375 3.909 6.646) 7.719 13.819 ( 15.268 7.500 -3.535) 17.374 14.016 ( -7.005 23.359 -5.981) 25.110 14.677 ( 7.520 -4.423 24.350) 25.866 15.061 ( 14.787 12.470 14.568) 24.216 15.665 ( 11.971 11.403 6.525) 17.774 18.048 ( -6.606 -2.251 8.394) 10.916 18.552 ( -2.465 -4.785 -15.316) 16.234 18.731 ( 3.124 2.290 -15.631) 16.104 19.522 ( -26.745 -9.289 -9.168) 29.759 20.289 ( -23.078 6.757 -12.697) 27.193 21.770 ( -9.617 -9.700 11.839) 18.076 22.073 ( 24.043 -13.951 2.481) 27.908 22.778 ( 5.347 5.532 -10.238) 12.807 23.837 ( 8.816 -3.026 -7.141) 11.742 ======================= Grid point 354 (170/312) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 22.236 -1.623 16.279) 27.606 3.929 ( 19.386 8.719 24.272) 32.264 4.776 ( 5.404 -4.573 -13.691) 15.413 4.918 ( 0.055 0.431 -3.778) 3.803 5.536 ( -11.503 -3.352 11.517) 16.619 5.690 ( 0.092 5.525 10.150) 11.557 6.256 ( 19.501 16.366 4.024) 25.774 6.761 ( -3.362 2.086 9.918) 10.678 6.941 ( 3.354 8.069 20.892) 22.646 7.493 ( -0.701 2.452 9.751) 10.079 7.925 ( -21.539 -12.381 -11.571) 27.406 8.348 ( -5.668 -10.135 1.201) 11.674 8.989 ( 4.910 -5.002 -13.459) 15.175 9.367 ( 3.110 12.174 1.912) 12.709 9.544 ( -6.882 2.845 12.019) 14.139 9.806 ( 4.820 -0.015 -3.307) 5.846 11.986 ( -2.372 3.691 -0.057) 4.388 12.129 ( -6.695 -7.844 8.077) 13.100 12.482 ( -0.374 14.335 4.678) 15.084 12.919 ( -3.249 -2.907 -4.625) 6.356 13.266 ( -9.798 4.840 7.333) 13.161 13.741 ( -1.061 3.224 -12.963) 13.400 13.932 ( 3.791 12.361 8.223) 15.322 14.233 ( 19.052 14.740 4.573) 24.519 14.836 ( 2.072 -2.167 26.212) 26.382 15.530 ( 23.027 8.978 17.325) 30.183 15.910 ( 9.608 4.712 5.627) 12.091 17.915 ( -8.638 -2.675 4.838) 10.256 18.363 ( -10.860 -7.874 -10.418) 16.985 18.765 ( 6.475 3.765 -22.525) 23.738 18.978 ( -23.335 -5.416 -9.415) 25.739 19.806 ( -18.843 7.393 -19.340) 27.995 21.617 ( -9.760 -9.675 15.931) 21.040 22.518 ( 18.875 -13.164 0.835) 23.027 22.857 ( 5.956 1.596 -9.497) 11.323 23.952 ( 5.187 -4.315 -7.661) 10.208 ======================= Grid point 355 (171/312) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.096 ( 15.796 -3.996 11.449) 19.914 4.412 ( 20.678 4.814 15.135) 26.073 4.661 ( -11.989 -1.624 7.160) 14.059 5.013 ( -1.391 -2.001 -2.354) 3.388 5.391 ( 4.686 -7.265 7.126) 11.203 5.738 ( -3.029 -3.346 15.049) 15.711 6.331 ( -21.912 7.856 5.374) 23.890 6.726 ( 24.067 8.104 -9.425) 27.087 7.225 ( -0.074 -1.752 6.148) 6.393 7.424 ( -21.793 -6.406 -2.234) 22.825 7.698 ( 16.228 15.841 20.594) 30.633 8.158 ( -13.717 -15.194 -2.152) 20.583 8.914 ( -7.044 7.252 -15.872) 18.818 9.414 ( 4.938 10.572 -6.540) 13.376 9.540 ( -0.609 1.718 18.845) 18.932 9.950 ( 8.922 -4.099 0.343) 9.825 11.916 ( -8.764 -3.308 2.903) 9.807 12.071 ( 3.728 5.548 4.900) 8.287 12.510 ( -1.028 19.219 10.956) 22.146 12.924 ( 6.661 -2.047 -3.989) 8.029 13.051 ( -13.128 3.897 6.372) 15.104 13.644 ( -2.314 10.301 -17.963) 20.836 14.058 ( 1.305 3.176 20.251) 20.540 14.604 ( 15.347 15.547 5.310) 22.482 14.982 ( 4.392 1.257 17.000) 17.603 15.993 ( 12.586 1.209 14.179) 18.997 16.097 ( 8.355 1.119 18.476) 20.309 17.751 ( -8.635 -3.846 0.835) 9.490 18.100 ( -9.340 -9.236 -13.311) 18.701 18.528 ( -16.644 0.101 -10.042) 19.439 18.849 ( 8.760 3.278 -20.555) 22.583 19.407 ( -12.800 6.219 -27.276) 30.765 21.504 ( -7.321 -8.816 18.557) 21.810 22.797 ( 8.572 -9.646 -5.441) 14.005 22.979 ( 9.551 -4.148 -2.025) 10.608 23.986 ( 1.047 -5.475 -9.067) 10.644 ======================= Grid point 356 (172/312) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.284 ( -8.892 -11.132 11.059) 18.036 4.462 ( -10.314 2.050 13.780) 17.334 4.783 ( -3.506 7.671 7.013) 10.968 4.870 ( 15.372 -6.010 3.800) 16.937 5.517 ( -15.550 -8.808 -2.305) 18.019 5.833 ( 22.879 -13.461 19.870) 33.158 6.077 ( -7.597 16.286 10.481) 20.804 6.717 ( -24.031 0.960 1.246) 24.083 7.263 ( -2.878 -6.846 -1.830) 7.648 7.330 ( 23.154 7.444 -7.239) 25.376 7.732 ( -21.484 -13.259 -7.290) 26.278 8.129 ( 11.444 12.985 23.656) 29.312 8.697 ( -7.881 17.907 -11.184) 22.536 9.492 ( 4.558 6.156 -13.126) 15.197 9.614 ( 1.766 0.229 18.606) 18.691 10.123 ( 7.613 -6.011 -0.713) 9.726 11.727 ( -9.702 -0.111 1.827) 9.873 12.268 ( 12.103 5.605 9.708) 16.497 12.513 ( -2.435 17.498 10.270) 20.435 12.809 ( -11.755 1.787 4.876) 12.851 13.132 ( 13.061 1.921 -3.096) 13.560 13.535 ( -2.265 14.046 -15.255) 20.860 14.109 ( -3.771 0.757 25.072) 25.365 14.841 ( 6.071 17.697 0.493) 18.716 15.083 ( -0.135 2.477 9.413) 9.735 16.084 ( -2.916 -3.476 14.704) 15.389 16.398 ( 7.668 -1.195 30.209) 31.190 17.565 ( -9.596 -7.846 -2.614) 12.668 17.967 ( 2.369 -4.852 -18.575) 19.344 18.263 ( -5.979 0.951 -7.390) 9.553 18.992 ( 12.694 4.058 -18.789) 23.035 19.106 ( -6.294 4.397 -32.810) 33.696 21.456 ( -4.345 -8.178 20.237) 22.255 22.873 ( 3.569 -5.807 -10.049) 12.142 23.182 ( 8.666 -8.733 3.821) 12.882 23.928 ( -3.337 -5.873 -11.229) 13.104 ======================= Grid point 357 (173/312) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( -29.141 -10.598 12.856) 33.568 4.095 ( -26.142 4.636 13.876) 29.957 4.850 ( 0.029 -10.217 -1.429) 10.317 5.198 ( 5.055 5.296 15.539) 17.178 5.331 ( 11.029 -3.410 -6.501) 13.249 5.843 ( -20.395 13.972 2.536) 24.851 6.295 ( -2.079 -0.370 26.330) 26.414 6.463 ( 12.204 -3.804 24.382) 27.530 7.046 ( -22.230 -14.851 -15.413) 30.859 7.349 ( -3.637 8.340 -1.820) 9.279 7.768 ( 17.566 -8.787 -12.983) 23.544 8.324 ( 1.155 13.436 14.519) 19.816 8.606 ( 2.908 19.168 0.229) 19.389 9.495 ( -0.047 -0.009 -8.461) 8.461 9.717 ( 2.573 3.093 8.898) 9.766 10.231 ( 3.865 -6.830 -4.127) 8.867 11.558 ( -7.820 1.272 2.513) 8.311 12.412 ( -9.386 14.757 3.327) 17.803 12.585 ( 10.093 -0.048 11.630) 15.399 12.711 ( 3.927 4.282 8.019) 9.903 13.306 ( 3.391 13.820 -12.993) 19.270 13.527 ( 7.943 8.940 -2.649) 12.248 14.095 ( -6.249 -1.206 23.762) 24.600 14.821 ( -6.944 17.769 -5.290) 19.797 15.029 ( -7.688 3.001 6.844) 10.721 16.023 ( -9.681 -3.101 19.928) 22.371 16.579 ( -0.122 -1.262 27.488) 27.517 17.396 ( -4.571 -10.864 -1.872) 11.934 18.030 ( 9.855 0.138 -24.346) 26.266 18.233 ( 4.019 -0.285 -4.135) 5.774 18.953 ( 3.173 3.671 -31.126) 31.502 19.236 ( 17.726 2.171 -14.958) 23.295 21.466 ( -1.985 -7.737 20.056) 21.588 22.903 ( 3.524 -5.455 -10.355) 12.223 23.323 ( 3.319 -9.243 4.854) 10.955 23.776 ( -7.116 -4.591 -13.692) 16.099 ======================= Grid point 358 (174/312) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -35.975 -5.525 11.543) 38.184 3.586 ( -30.857 8.839 17.867) 36.736 4.716 ( -6.581 -8.394 -7.844) 13.240 5.335 ( -11.793 20.559 25.823) 35.051 5.431 ( -2.415 5.991 5.677) 8.600 5.663 ( 11.127 -8.301 4.602) 14.625 6.240 ( -8.889 10.636 26.830) 30.199 6.490 ( -22.252 -5.796 -15.848) 27.927 6.895 ( 14.933 -14.216 16.318) 26.294 7.412 ( 8.016 8.175 1.575) 11.557 7.861 ( -1.879 -7.531 -10.489) 13.048 8.439 ( 6.805 9.354 6.230) 13.138 8.774 ( 11.522 12.263 5.780) 17.792 9.444 ( -2.362 -4.377 -4.935) 7.006 9.751 ( -1.296 4.447 0.815) 4.703 10.249 ( -0.008 -7.003 -6.974) 9.883 11.432 ( -5.967 2.844 5.494) 8.595 12.199 ( -10.207 9.223 -2.110) 13.918 12.698 ( 1.738 0.994 10.115) 10.311 12.984 ( 12.269 5.530 3.764) 13.974 13.305 ( 4.822 19.517 -5.059) 20.731 13.724 ( 9.389 5.610 -1.711) 11.070 14.014 ( -8.680 -3.631 13.358) 16.339 14.573 ( -14.197 14.760 -5.487) 21.202 14.860 ( -11.004 4.757 10.633) 16.025 15.808 ( -18.014 -0.775 13.150) 22.316 16.557 ( -9.733 0.063 14.535) 17.493 17.424 ( 6.189 -9.606 7.716) 13.788 18.148 ( 11.206 2.461 -29.308) 31.474 18.350 ( 7.472 -2.129 -0.491) 7.785 19.041 ( 14.689 4.370 -20.151) 25.316 19.594 ( 22.174 -1.673 -10.570) 24.622 21.506 ( -0.980 -7.645 17.611) 19.224 22.953 ( 5.237 -5.255 -9.725) 12.232 23.305 ( -7.789 -10.919 0.648) 13.428 23.582 ( -6.250 0.129 -12.521) 13.995 ======================= Grid point 359 (175/312) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -29.414 4.986 17.527) 34.601 3.011 ( -31.966 17.312 22.498) 42.752 4.603 ( -1.410 -2.247 -9.821) 10.173 5.054 ( -19.633 16.642 46.135) 52.828 5.479 ( -4.814 12.792 -8.832) 16.273 5.767 ( -3.944 -10.710 13.098) 17.373 6.100 ( -2.563 -0.413 -6.660) 7.148 6.243 ( -4.857 7.959 14.232) 17.015 7.148 ( 7.329 -7.988 7.253) 13.044 7.582 ( 3.545 -0.250 1.711) 3.944 7.835 ( 5.599 -0.218 4.393) 7.120 8.562 ( 3.578 3.698 3.798) 6.396 9.057 ( 12.176 2.290 7.115) 14.287 9.377 ( -1.806 -4.029 -5.805) 7.293 9.669 ( -5.503 4.358 -5.962) 9.210 10.185 ( -3.537 -6.826 -8.816) 11.697 11.378 ( -1.581 4.486 10.738) 11.744 12.022 ( -6.020 6.595 -3.171) 9.476 12.744 ( -0.117 0.205 5.981) 5.985 13.121 ( 4.340 14.442 -3.020) 15.379 13.490 ( 4.702 14.581 6.587) 16.676 13.807 ( -1.665 -5.169 2.962) 6.186 13.927 ( 4.832 5.077 -7.169) 10.026 14.272 ( -13.437 7.253 -4.132) 15.818 14.704 ( -9.008 7.770 18.095) 21.655 15.406 ( -24.165 2.257 3.189) 24.479 16.307 ( -17.794 2.677 4.195) 18.477 17.642 ( 10.214 -5.050 13.968) 18.026 18.277 ( 12.034 1.984 -30.414) 32.768 18.502 ( 7.090 -2.789 2.064) 7.893 19.385 ( 24.126 3.475 -7.995) 25.653 20.019 ( 22.190 -5.749 -6.715) 23.886 21.534 ( -2.203 -8.133 13.430) 15.854 23.022 ( -17.084 -9.919 -7.923) 21.284 23.049 ( 7.252 -5.012 -8.498) 12.245 23.426 ( -7.522 4.047 -7.474) 11.350 ======================= Grid point 360 (176/312) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -9.228 18.521 29.084) 35.694 2.549 ( -20.698 23.181 28.603) 42.236 4.585 ( 1.748 3.153 -3.039) 4.715 4.904 ( -11.951 15.448 47.260) 51.137 5.191 ( -12.773 10.548 -21.259) 26.951 5.759 ( -3.137 -3.886 16.643) 17.376 6.057 ( -3.962 1.750 8.737) 9.752 6.246 ( 0.609 2.624 2.679) 3.799 7.268 ( 3.189 1.126 1.164) 3.577 7.612 ( 1.973 -4.445 2.100) 5.297 8.054 ( 8.860 -1.912 15.714) 18.141 8.621 ( 1.838 -0.413 0.293) 1.906 9.168 ( -4.989 -5.740 10.287) 12.793 9.387 ( 1.909 1.674 -12.207) 12.468 9.555 ( 1.304 4.298 -6.595) 7.979 10.058 ( -5.502 -5.864 -8.972) 12.048 11.471 ( 6.415 1.681 16.098) 17.411 11.956 ( 0.961 4.408 -2.008) 4.938 12.745 ( -2.065 -2.118 5.796) 6.507 13.132 ( -6.455 3.760 -0.719) 7.505 13.404 ( -1.233 25.520 -7.312) 26.576 13.855 ( -4.230 -3.516 5.020) 7.447 13.999 ( -2.338 10.208 -6.093) 12.116 14.168 ( 14.043 -4.408 -2.298) 14.897 14.624 ( -6.111 9.592 18.916) 22.072 14.898 ( -25.543 7.384 -3.596) 26.831 15.911 ( -22.029 8.877 5.031) 24.277 17.885 ( 8.201 -1.792 14.857) 17.065 18.404 ( 11.062 0.774 -30.542) 32.493 18.637 ( 5.434 -2.121 2.194) 6.232 19.930 ( 30.787 -1.040 -1.396) 30.836 20.380 ( 14.401 -8.167 -4.473) 17.149 21.491 ( -6.510 -8.933 8.773) 14.112 22.622 ( -18.783 -10.297 -8.927) 23.206 23.097 ( -7.614 4.074 -4.930) 9.944 23.283 ( 4.087 1.676 -9.176) 10.184 ======================= Grid point 361 (177/312) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -2.584 31.772 26.958) 41.748 3.108 ( 9.160 27.472 25.338) 38.479 4.883 ( 5.763 14.626 -3.401) 16.084 5.072 ( -2.943 6.229 -19.424) 20.609 5.365 ( -0.279 29.160 30.632) 42.293 5.722 ( -3.041 0.179 13.416) 13.757 6.010 ( -2.158 -4.594 8.219) 9.660 6.377 ( -1.658 12.629 7.898) 14.988 7.325 ( 3.783 -5.858 9.327) 11.646 7.585 ( -0.548 -1.463 -4.530) 4.792 8.148 ( 4.307 -4.852 11.300) 13.030 8.422 ( -5.057 -12.337 -12.506) 18.281 9.167 ( -7.027 5.191 0.639) 8.760 9.268 ( -1.967 -1.085 2.882) 3.654 9.519 ( 1.755 -12.137 -9.767) 15.677 9.936 ( 0.222 1.473 -2.001) 2.495 11.653 ( 6.247 -1.998 15.679) 16.995 12.112 ( 5.849 0.224 5.333) 7.918 12.574 ( -11.419 1.416 4.780) 12.459 13.080 ( -10.648 4.887 -4.699) 12.623 13.592 ( -4.159 5.442 4.946) 8.449 13.687 ( 0.886 0.419 0.371) 1.048 14.105 ( 3.757 -11.317 4.933) 12.904 14.656 ( 15.130 16.382 -1.653) 22.361 14.691 ( -18.988 18.148 -1.728) 26.323 14.873 ( -3.351 21.300 15.319) 26.450 15.998 ( -8.827 27.980 3.216) 29.516 18.022 ( 2.910 -2.046 13.350) 13.816 18.516 ( 7.536 1.784 -27.044) 28.131 18.676 ( 4.340 -4.150 -0.598) 6.035 20.102 ( -4.874 -13.360 1.490) 14.300 20.550 ( 24.275 -10.573 -8.581) 27.833 21.148 ( -5.534 -9.520 3.655) 11.602 22.032 ( -17.479 -8.504 -5.941) 20.326 23.060 ( -6.325 7.894 -9.330) 13.761 23.396 ( 11.339 -3.341 -8.141) 14.353 ======================= Grid point 362 (178/312) ======================= q-point: ( 0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 7.496 27.093 22.647) 36.098 3.413 ( 10.721 19.912 27.441) 35.558 4.823 ( -4.476 5.392 -17.330) 18.693 5.081 ( 6.548 15.353 -15.162) 22.550 5.552 ( 4.102 15.371 22.779) 27.785 5.736 ( 0.888 4.638 8.003) 9.292 6.090 ( 7.500 6.559 28.917) 30.585 6.377 ( -0.956 13.496 6.608) 15.057 7.382 ( -0.031 -3.432 7.019) 7.814 7.495 ( -8.261 -2.796 0.821) 8.760 8.251 ( -3.900 -6.204 15.068) 16.756 8.280 ( 0.029 -14.407 -18.176) 23.193 8.935 ( -8.195 -3.716 -16.394) 18.701 9.315 ( 1.734 2.118 6.571) 7.118 9.539 ( 2.378 -5.434 -0.486) 5.951 9.929 ( -0.682 1.194 -2.203) 2.596 11.843 ( 5.956 -7.650 15.974) 18.686 12.230 ( -1.525 -2.127 4.800) 5.467 12.476 ( 4.382 0.153 7.573) 8.751 12.808 ( -11.994 1.086 -4.819) 12.971 13.684 ( 7.491 11.149 12.469) 18.327 13.732 ( 4.993 1.945 -5.494) 7.674 14.165 ( 0.331 -6.151 5.086) 7.988 14.318 ( -17.002 19.440 0.600) 25.833 14.829 ( -3.740 17.405 11.469) 21.177 14.989 ( 15.687 20.182 2.707) 25.705 15.917 ( -0.767 27.099 6.243) 27.819 18.054 ( -3.247 -3.649 9.218) 10.432 18.554 ( 4.226 0.432 -22.176) 22.579 18.723 ( 1.671 -2.611 -5.253) 6.099 19.813 ( -20.894 -12.331 -3.373) 24.494 20.733 ( -7.733 -7.841 -7.929) 13.570 21.280 ( 18.894 -13.254 3.001) 23.273 21.724 ( -10.714 -8.717 -0.453) 13.820 22.927 ( -2.949 7.627 -10.045) 12.952 23.595 ( 10.538 -4.165 -7.997) 13.869 ======================= Grid point 363 (179/312) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 14.848 16.710 17.469) 28.369 3.732 ( 12.036 12.888 26.556) 31.877 4.707 ( -0.019 1.741 -19.497) 19.575 5.083 ( -2.241 8.112 -11.713) 14.423 5.602 ( -5.062 -0.247 20.437) 21.056 5.781 ( 1.131 4.008 -2.137) 4.681 6.373 ( 4.260 16.641 -0.013) 17.177 6.579 ( 21.321 21.321 38.537) 48.931 7.259 ( -16.130 -4.453 9.584) 19.284 7.412 ( 2.295 -1.005 -0.295) 2.522 8.028 ( -14.684 -13.229 -6.493) 20.803 8.294 ( -0.875 -5.137 -0.951) 5.297 8.820 ( 2.229 -6.291 -13.197) 14.788 9.384 ( 4.073 -0.952 2.985) 5.138 9.593 ( 1.077 1.671 6.789) 7.074 9.888 ( -2.209 2.114 -3.384) 4.560 11.961 ( 0.664 -9.819 12.196) 15.671 12.148 ( -5.277 3.548 3.498) 7.258 12.578 ( 0.131 -11.568 -5.713) 12.902 12.749 ( 5.743 7.201 16.094) 18.544 13.777 ( 2.491 4.591 0.559) 5.253 13.866 ( -8.689 22.751 2.784) 24.513 14.067 ( 7.055 16.933 5.014) 19.017 14.261 ( 5.615 -1.185 5.320) 7.826 14.792 ( -3.185 17.015 12.213) 21.185 15.336 ( 16.679 13.231 9.518) 23.320 15.984 ( 4.084 20.809 6.153) 22.080 17.973 ( -7.167 -5.426 5.560) 10.570 18.485 ( -5.671 -1.803 -14.163) 15.362 18.735 ( 3.567 -1.942 -13.611) 14.204 19.337 ( -23.130 -8.284 -6.616) 25.444 20.401 ( -18.594 3.184 -11.131) 21.904 21.463 ( -7.029 -20.003 12.207) 24.465 21.811 ( 20.353 -11.719 -3.179) 23.700 22.870 ( 0.667 3.724 -11.248) 11.867 23.747 ( 7.339 -6.057 -8.439) 12.719 ======================= Grid point 364 (180/312) ======================= q-point: ( 0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 17.258 6.150 11.491) 21.627 4.085 ( 14.388 6.904 21.220) 26.551 4.703 ( 5.542 -2.487 -13.345) 14.663 4.941 ( -7.801 2.283 -1.902) 8.348 5.500 ( -10.818 -0.878 9.843) 14.652 5.743 ( -5.631 -1.925 5.533) 8.126 6.508 ( 10.904 7.153 -9.704) 16.255 6.888 ( -12.657 8.966 5.752) 16.543 7.123 ( 5.242 6.494 24.652) 26.027 7.526 ( 5.490 -3.239 1.359) 6.518 7.706 ( -7.387 2.881 2.116) 8.206 8.234 ( -4.976 -1.255 -0.817) 5.197 8.880 ( 6.552 -6.413 -11.299) 14.551 9.507 ( 6.507 0.055 5.402) 8.457 9.607 ( -2.664 3.914 9.623) 10.725 9.838 ( -0.632 3.286 -4.887) 5.923 11.967 ( -4.572 -5.950 9.237) 11.901 12.086 ( -0.011 4.322 3.690) 5.684 12.644 ( 7.814 -4.434 -0.867) 9.026 12.868 ( -0.755 2.347 15.198) 15.397 13.581 ( -15.794 25.682 4.536) 30.489 13.811 ( 0.759 8.309 -0.125) 8.345 14.287 ( 8.267 18.819 -0.642) 20.565 14.537 ( 17.194 9.542 13.894) 24.077 14.817 ( 1.974 7.351 13.701) 15.674 15.721 ( 16.559 6.573 17.637) 25.069 16.078 ( 2.652 13.949 3.776) 14.692 17.818 ( -9.461 -7.270 2.033) 12.103 18.244 ( -12.229 -3.522 -12.420) 17.782 18.770 ( 3.784 -3.558 -15.164) 16.029 18.883 ( -18.058 -3.075 -9.345) 20.564 19.983 ( -17.255 9.204 -16.821) 25.796 21.348 ( -8.076 -16.597 15.280) 23.962 22.204 ( 18.083 -17.941 -0.410) 25.476 22.862 ( 2.420 -0.705 -11.950) 12.213 23.825 ( 3.627 -8.483 -9.479) 13.228 ======================= Grid point 365 (181/312) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.055 ( 12.903 0.140 4.354) 13.618 4.386 ( 6.816 -5.916 5.474) 10.555 4.730 ( -1.900 7.727 12.541) 14.853 4.946 ( 7.963 -5.944 4.517) 10.915 5.277 ( -9.012 -2.802 1.417) 9.543 5.577 ( -13.078 -11.899 6.055) 18.689 6.563 ( -8.907 13.159 11.128) 19.400 6.791 ( 9.846 -0.109 -20.532) 22.771 7.066 ( -13.671 -23.825 -3.132) 27.647 7.406 ( -1.642 13.644 1.847) 13.866 8.036 ( 7.387 15.714 15.050) 22.978 8.095 ( -0.304 9.736 12.847) 16.122 8.957 ( 4.900 -1.186 -14.580) 15.427 9.586 ( -2.093 3.842 12.403) 13.152 9.643 ( 3.822 7.768 3.739) 9.430 9.849 ( 4.113 -4.458 -4.689) 7.667 11.867 ( -7.199 -1.016 7.279) 10.288 12.182 ( 6.606 5.137 7.855) 11.477 12.824 ( 1.379 -5.037 3.445) 6.256 12.885 ( 6.768 7.521 10.097) 14.294 13.295 ( -14.420 25.888 6.205) 30.276 13.807 ( -1.218 9.162 0.641) 9.265 14.382 ( 0.868 25.643 4.091) 25.981 14.939 ( 12.693 4.088 27.216) 30.307 14.977 ( 11.915 11.913 -1.496) 16.915 16.068 ( 2.837 -3.771 17.891) 18.503 16.115 ( 6.603 10.481 10.260) 16.085 17.610 ( -11.307 -9.967 -2.239) 15.238 17.990 ( -6.461 -2.056 -13.626) 15.220 18.481 ( -15.540 -2.410 -9.335) 18.288 18.853 ( 7.002 -4.096 -15.367) 17.377 19.614 ( -12.191 13.249 -23.337) 29.475 21.263 ( -6.064 -14.596 18.362) 24.228 22.513 ( 12.526 -18.451 -0.717) 22.313 22.884 ( 4.000 -5.155 -10.192) 12.102 23.826 ( 0.133 -10.620 -11.265) 15.483 ======================= Grid point 366 (182/312) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( -12.391 -6.157 5.383) 14.847 4.446 ( 3.479 -6.538 2.574) 7.840 4.713 ( -14.443 -0.346 5.823) 15.577 4.989 ( 7.808 7.331 10.413) 14.938 5.322 ( -10.319 -11.520 5.979) 16.582 5.512 ( 22.769 -16.482 6.094) 28.762 6.418 ( -10.346 15.653 3.930) 19.170 6.677 ( -13.487 -8.066 3.571) 16.116 6.952 ( 3.153 -15.639 -16.656) 23.064 7.478 ( 7.334 9.111 -3.148) 12.112 7.813 ( -14.102 14.236 4.194) 20.472 8.434 ( 9.283 16.486 25.133) 31.459 8.963 ( 0.824 9.495 -11.765) 15.141 9.603 ( -1.566 2.381 4.078) 4.976 9.688 ( 2.577 8.473 1.974) 9.073 9.961 ( 6.693 -9.491 -2.184) 11.818 11.743 ( -7.648 2.262 7.688) 11.078 12.385 ( 9.612 4.896 11.457) 15.736 12.781 ( -4.147 1.832 7.932) 9.136 13.000 ( -8.647 15.192 0.096) 17.481 13.217 ( 11.822 15.131 10.064) 21.679 13.770 ( -2.610 9.053 1.547) 9.548 14.376 ( -3.322 25.061 9.530) 27.016 15.108 ( 2.198 1.599 5.348) 6.000 15.263 ( 7.221 22.205 10.370) 25.549 16.010 ( -6.062 -3.911 11.565) 13.630 16.368 ( 5.895 -1.353 27.677) 28.330 17.364 ( -11.295 -11.343 -5.161) 16.819 17.930 ( 5.656 0.020 -17.354) 18.253 18.216 ( -6.654 -2.900 -9.457) 11.922 18.951 ( 7.409 -6.728 -13.885) 17.115 19.354 ( -3.901 16.376 -26.884) 31.719 21.238 ( -3.322 -12.821 20.268) 24.211 22.682 ( 5.922 -14.053 -7.367) 16.936 22.969 ( 6.608 -11.259 -2.297) 13.256 23.754 ( -2.807 -11.616 -13.784) 18.243 ======================= Grid point 367 (183/312) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( -24.969 -6.196 8.886) 27.218 4.226 ( -23.342 8.322 12.528) 27.768 4.602 ( -0.424 -12.942 -4.522) 13.716 5.217 ( 11.165 -4.406 1.914) 12.154 5.323 ( 7.945 2.612 8.012) 11.582 5.990 ( 12.519 -12.800 8.018) 19.618 6.125 ( -8.948 -2.896 0.850) 9.443 6.555 ( -4.592 6.011 12.755) 14.829 6.835 ( -12.419 0.627 0.886) 12.467 7.587 ( 0.622 10.048 -0.646) 10.088 7.646 ( 3.186 1.215 -13.041) 13.479 8.617 ( 1.213 13.879 22.721) 26.653 8.939 ( 0.250 14.460 -3.805) 14.955 9.530 ( -4.278 3.204 -5.044) 7.349 9.774 ( 3.347 1.144 2.571) 4.373 10.058 ( 3.769 -8.574 -5.010) 10.621 11.622 ( -7.095 5.077 9.083) 12.595 12.542 ( -4.534 -2.777 8.594) 10.106 12.750 ( 3.039 11.523 8.312) 14.530 12.901 ( 1.256 17.856 5.354) 18.683 13.489 ( 9.384 8.680 1.299) 12.849 13.739 ( -0.220 7.549 6.457) 9.936 14.326 ( -4.933 23.954 9.874) 26.375 15.055 ( -8.070 4.192 -4.361) 10.085 15.250 ( -10.152 19.348 9.508) 23.828 15.957 ( -6.036 -2.595 17.211) 18.423 16.549 ( 1.849 -1.643 29.204) 29.308 17.166 ( -4.490 -10.546 -5.686) 12.794 18.051 ( 11.530 1.863 -20.867) 23.913 18.164 ( 4.231 -4.919 -7.726) 10.089 19.024 ( 6.135 -0.490 -17.563) 18.610 19.328 ( 9.608 8.764 -18.775) 22.839 21.266 ( -1.200 -11.276 19.677) 22.711 22.740 ( 4.235 -11.211 -11.359) 16.512 23.086 ( 3.463 -13.679 2.638) 14.355 23.627 ( -4.008 -10.571 -16.437) 19.950 ======================= Grid point 368 (184/312) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( -24.820 3.279 9.888) 26.918 3.790 ( -25.104 11.919 18.790) 33.546 4.573 ( 1.324 -5.387 -8.562) 10.202 5.441 ( 6.884 -9.811 7.467) 14.121 5.541 ( 7.897 4.656 2.233) 9.435 5.730 ( -13.718 7.944 6.699) 17.210 6.422 ( -0.180 -4.017 9.286) 10.119 6.440 ( -5.845 4.101 3.138) 7.799 6.623 ( -0.887 2.219 17.194) 17.360 7.622 ( 2.275 7.457 -2.451) 8.173 7.701 ( 6.793 -4.268 -13.185) 15.434 8.670 ( -2.133 12.766 15.403) 20.119 8.962 ( 1.789 5.980 4.915) 7.945 9.432 ( -2.754 2.464 -6.539) 7.511 9.798 ( -1.627 -1.152 -1.098) 2.276 10.074 ( 0.316 -8.043 -7.916) 11.289 11.531 ( -5.408 6.650 10.859) 13.834 12.353 ( -11.234 2.733 0.907) 11.597 12.842 ( 0.087 14.835 13.218) 19.869 13.100 ( 13.305 7.000 4.171) 15.602 13.545 ( -0.375 3.667 -1.694) 4.057 13.827 ( 1.973 5.283 10.935) 12.304 14.264 ( -2.482 24.532 2.431) 24.777 14.758 ( -18.013 3.726 -8.162) 20.124 15.060 ( -11.301 14.612 14.946) 23.762 15.801 ( -14.513 0.690 8.728) 16.949 16.587 ( -6.750 3.494 18.109) 19.640 17.229 ( 10.218 -7.608 6.967) 14.520 18.203 ( 10.848 1.363 -18.750) 21.704 18.282 ( 8.799 -2.871 -10.016) 13.638 19.156 ( 14.025 5.528 -15.712) 21.775 19.548 ( 16.096 -2.426 -9.600) 18.898 21.313 ( -0.773 -10.524 16.146) 19.289 22.797 ( 5.486 -10.662 -10.802) 16.139 23.069 ( -6.250 -12.261 -0.823) 13.787 23.512 ( -1.324 -7.126 -15.153) 16.798 ======================= Grid point 369 (185/312) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -13.914 18.364 14.998) 27.491 3.370 ( -23.556 18.616 23.373) 38.049 4.619 ( 6.876 3.990 -12.223) 14.580 5.361 ( -14.658 9.568 15.221) 23.197 5.538 ( -3.332 -9.298 13.589) 16.799 5.787 ( 4.016 10.232 3.466) 11.525 6.129 ( -11.037 10.674 -2.322) 15.529 6.445 ( -5.280 12.352 15.039) 20.165 6.876 ( 13.743 -17.456 7.125) 23.331 7.601 ( -0.371 -1.764 -8.608) 8.795 7.857 ( 8.563 3.877 2.467) 9.718 8.648 ( -3.621 5.305 4.487) 7.835 9.036 ( 2.069 -2.712 13.566) 13.988 9.396 ( 1.690 3.066 -7.543) 8.316 9.701 ( -6.595 -2.563 -4.422) 8.343 10.026 ( -1.902 -6.709 -8.459) 10.963 11.487 ( -2.668 6.348 11.627) 13.513 12.158 ( -7.880 3.977 0.212) 8.829 12.856 ( -3.232 11.935 10.984) 16.539 13.289 ( 2.471 6.532 -4.632) 8.381 13.616 ( 7.935 -4.814 11.758) 14.979 13.805 ( -6.159 6.030 7.666) 11.535 14.246 ( -3.729 14.535 -11.352) 18.816 14.371 ( -11.644 8.794 -2.925) 14.882 14.928 ( -7.573 14.232 18.834) 24.791 15.471 ( -18.958 4.907 1.001) 19.608 16.444 ( -11.184 11.683 7.040) 17.639 17.531 ( 13.893 -4.443 15.736) 21.456 18.352 ( 11.054 3.946 -25.171) 27.773 18.416 ( 7.119 -4.779 -2.586) 8.956 19.470 ( 21.029 4.477 -9.015) 23.314 19.868 ( 17.441 -9.029 -4.887) 20.238 21.330 ( -2.723 -11.121 10.844) 15.770 22.771 ( -11.693 -13.966 -7.061) 19.535 22.966 ( 5.838 -4.380 -9.488) 11.971 23.439 ( -2.587 -2.849 -11.339) 11.974 ======================= Grid point 370 (186/312) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 0.040 30.029 23.173) 37.931 3.057 ( -14.491 26.170 25.153) 39.083 4.745 ( 9.242 12.347 -11.468) 19.220 5.181 ( -8.127 8.450 14.082) 18.323 5.435 ( -11.101 9.131 16.320) 21.748 5.765 ( -4.840 12.167 7.008) 14.852 6.032 ( -0.844 -4.781 -1.062) 4.970 6.397 ( -3.673 12.673 10.656) 16.960 7.149 ( 10.202 -12.352 9.079) 18.414 7.586 ( 1.692 -0.255 -8.021) 8.202 8.019 ( 5.511 -0.990 8.404) 10.099 8.557 ( -5.050 -5.169 -5.111) 8.851 9.129 ( 1.188 1.950 19.433) 19.566 9.398 ( -1.169 -0.970 -11.712) 11.810 9.550 ( -3.996 -6.966 -7.199) 10.785 9.960 ( -1.594 -2.263 -5.549) 6.201 11.518 ( 1.782 3.431 12.856) 13.424 12.059 ( -1.929 2.784 1.917) 3.892 12.771 ( -8.927 5.192 8.147) 13.154 13.231 ( -4.476 8.486 -3.955) 10.377 13.702 ( -3.191 2.856 3.047) 5.255 13.779 ( -8.209 -0.757 10.933) 13.693 14.002 ( 0.435 -9.912 -5.729) 11.457 14.416 ( 9.196 22.135 -5.624) 24.621 14.883 ( -4.190 16.076 19.561) 25.664 15.082 ( -19.342 11.814 -1.828) 22.739 16.214 ( -12.635 21.145 2.404) 24.749 17.838 ( 10.091 -2.225 16.177) 19.195 18.452 ( 8.807 3.599 -28.851) 30.379 18.559 ( 6.791 -5.671 1.537) 8.980 19.902 ( 21.903 -2.157 -1.467) 22.058 20.175 ( 14.898 -11.635 -5.423) 19.666 21.269 ( -6.324 -12.041 5.924) 14.835 22.422 ( -18.023 -10.119 -8.682) 22.419 23.111 ( 8.195 -1.436 -8.618) 11.979 23.319 ( -3.744 0.808 -9.963) 10.674 ======================= Grid point 371 (187/312) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( -1.791 29.424 22.523) 37.098 3.639 ( 5.026 28.887 21.325) 36.255 5.001 ( -4.350 -5.773 -3.233) 7.918 5.309 ( 12.730 19.041 -17.516) 28.834 5.721 ( 3.020 2.476 5.544) 6.781 5.822 ( -4.915 -6.977 2.445) 8.878 6.093 ( -0.601 32.847 22.814) 39.997 6.666 ( -2.401 13.592 8.107) 16.007 7.156 ( 6.964 -7.347 14.422) 17.620 7.521 ( 3.098 -7.800 -8.793) 12.156 8.064 ( 1.972 -2.977 -3.079) 4.716 8.257 ( -9.251 -2.780 -2.572) 9.996 9.062 ( -12.467 -13.439 -8.801) 20.335 9.207 ( -1.121 -14.129 -13.929) 19.872 9.397 ( 4.480 7.062 18.107) 19.945 9.933 ( -0.757 -2.286 0.355) 2.434 11.651 ( 1.283 1.598 14.402) 14.548 12.059 ( 3.253 -4.512 7.612) 9.427 12.611 ( -12.898 1.713 3.859) 13.571 13.162 ( -19.136 -0.021 3.117) 19.388 13.653 ( 3.019 0.873 7.090) 7.755 13.759 ( 1.652 4.403 -0.308) 4.713 13.962 ( 6.492 2.516 4.122) 8.092 14.768 ( 6.644 0.382 -11.009) 12.864 15.170 ( -12.469 24.984 12.416) 30.559 15.298 ( -0.024 19.561 25.754) 32.341 16.561 ( -5.868 27.310 5.237) 28.420 17.979 ( 1.108 -2.652 11.172) 11.536 18.551 ( 6.144 1.076 -20.838) 21.752 18.574 ( 5.993 -5.308 -3.030) 8.560 19.849 ( -6.074 -11.854 3.540) 13.782 20.253 ( 13.643 -18.894 -5.966) 24.057 21.039 ( 0.903 0.117 -5.946) 6.016 21.876 ( -14.125 -8.173 -12.222) 20.389 23.169 ( -2.935 3.433 -10.711) 11.624 23.325 ( 10.573 -3.543 -8.734) 14.164 ======================= Grid point 372 (188/312) ======================= q-point: ( 0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( 3.151 31.246 17.259) 35.834 3.798 ( 3.780 20.111 23.383) 31.073 4.886 ( -4.623 -0.553 -10.990) 11.935 5.385 ( 0.099 13.688 -18.975) 23.397 5.665 ( -8.989 1.600 10.662) 14.037 5.759 ( 1.768 -5.269 0.891) 5.629 6.479 ( 23.591 28.214 25.644) 44.835 6.649 ( -1.512 12.676 6.025) 14.116 7.206 ( -7.434 -7.401 17.421) 20.336 7.548 ( 2.217 2.669 -5.867) 6.816 8.014 ( -4.067 -8.574 -17.464) 19.876 8.190 ( 0.668 -1.700 10.925) 11.077 8.782 ( -9.280 -11.601 -15.077) 21.166 9.174 ( 2.316 -14.007 -8.356) 16.474 9.551 ( 4.304 4.039 14.833) 15.964 9.907 ( -1.469 -3.169 -0.486) 3.527 11.740 ( 2.163 -2.351 13.400) 13.775 12.179 ( 4.312 -4.522 9.633) 11.482 12.407 ( -8.785 -2.828 1.705) 9.385 12.884 ( -9.377 1.121 9.629) 13.488 13.745 ( 4.752 2.042 3.692) 6.355 13.897 ( 10.537 4.874 6.540) 13.325 14.105 ( 6.905 6.818 2.175) 9.945 14.754 ( -5.407 15.339 -10.964) 19.615 15.051 ( -3.935 15.027 21.497) 26.522 15.421 ( 3.944 18.702 19.149) 27.055 16.481 ( -3.328 28.487 3.251) 28.865 17.965 ( -4.974 -5.590 6.065) 9.632 18.575 ( 2.501 1.099 -18.255) 18.458 18.651 ( 2.289 -4.126 -3.229) 5.718 19.600 ( -17.482 -8.758 -0.778) 19.568 20.411 ( 2.499 -23.485 -2.333) 23.733 21.101 ( 5.231 -3.367 -3.773) 7.275 21.598 ( -7.551 -5.565 -10.723) 14.246 23.050 ( -4.038 5.225 -11.361) 13.141 23.497 ( 8.750 -5.615 -9.269) 13.929 ======================= Grid point 373 (189/312) ======================= q-point: ( 0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.753 ( 4.614 25.202 11.837) 28.223 3.990 ( 7.790 13.552 20.278) 25.603 4.752 ( -3.474 2.072 -15.069) 15.602 5.225 ( -9.392 5.108 -8.821) 13.860 5.557 ( -7.029 -4.069 15.445) 17.450 5.772 ( -1.659 -4.701 -4.492) 6.710 6.600 ( -0.873 6.719 -11.683) 13.506 7.005 ( -3.054 -8.635 11.882) 15.002 7.136 ( 12.795 22.797 27.450) 37.907 7.550 ( 0.440 12.727 0.777) 12.758 7.861 ( -4.746 -2.572 -8.333) 9.929 8.240 ( 1.189 -0.596 4.006) 4.221 8.658 ( 2.147 -9.905 -12.855) 16.370 9.245 ( 6.374 -11.460 -1.301) 13.178 9.656 ( 1.277 2.869 11.332) 11.760 9.884 ( -0.395 -2.261 -0.691) 2.397 11.821 ( 1.815 -3.887 11.165) 11.961 12.226 ( -6.385 3.511 6.868) 10.013 12.325 ( 5.056 -11.167 1.820) 12.393 12.843 ( -1.594 -0.685 17.409) 17.495 13.869 ( 5.245 6.154 2.215) 8.384 14.182 ( 12.784 -1.428 11.920) 17.538 14.283 ( 10.778 14.820 5.046) 19.007 14.570 ( -7.494 30.826 -3.760) 31.946 15.087 ( -0.728 10.359 17.556) 20.397 15.582 ( 6.048 12.398 15.652) 20.863 16.452 ( -0.960 25.185 2.655) 25.343 17.840 ( -8.589 -7.870 2.002) 11.820 18.476 ( -7.565 0.679 -11.909) 14.125 18.664 ( 1.772 -4.677 -9.291) 10.552 19.221 ( -18.274 -3.105 -3.336) 18.834 20.328 ( -8.593 -13.404 -6.062) 17.037 21.115 ( -4.213 -10.973 4.810) 12.700 21.595 ( 10.094 -10.515 -8.537) 16.892 22.940 ( -2.565 3.947 -13.002) 13.828 23.599 ( 4.903 -8.724 -10.394) 14.429 ======================= Grid point 374 (190/312) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.910 ( 7.857 13.483 6.518) 16.912 4.217 ( 7.900 7.067 9.794) 14.431 4.679 ( 1.713 -0.209 -9.568) 9.723 4.999 ( -10.870 3.051 3.586) 11.846 5.454 ( -8.870 -5.972 11.473) 15.684 5.626 ( -11.378 -7.174 -4.444) 14.166 6.547 ( 2.118 -2.552 -19.639) 19.918 6.824 ( -12.017 -19.801 5.963) 23.917 7.192 ( -10.145 13.613 -2.547) 17.168 7.712 ( 1.758 16.285 4.285) 16.931 7.986 ( 20.793 21.005 19.675) 35.506 8.264 ( -0.594 2.714 4.101) 4.954 8.738 ( 9.072 -7.372 -10.256) 15.551 9.408 ( 8.901 -8.382 4.092) 12.893 9.680 ( -1.953 2.731 8.055) 8.726 9.884 ( 0.132 0.274 -0.402) 0.504 11.892 ( 0.466 -1.352 11.386) 11.476 12.151 ( -1.076 1.160 5.301) 5.532 12.494 ( 9.537 -6.274 5.167) 12.531 12.876 ( -1.481 -3.049 16.330) 16.678 13.901 ( -3.326 9.846 3.005) 10.818 14.325 ( -6.540 31.583 1.694) 32.298 14.508 ( 13.574 0.897 22.231) 26.063 14.676 ( 14.081 18.186 6.718) 23.961 15.154 ( 4.833 17.401 6.206) 19.096 15.773 ( 6.476 0.992 19.518) 20.588 16.436 ( -2.007 20.239 1.489) 20.393 17.643 ( -11.021 -9.919 -1.774) 14.933 18.222 ( -12.164 1.043 -9.888) 15.710 18.652 ( -0.364 -7.576 -10.583) 13.020 18.874 ( -14.019 2.587 -5.428) 15.254 20.077 ( -11.813 -3.274 -12.310) 17.372 21.040 ( -4.941 -11.049 10.339) 15.918 21.834 ( 14.046 -18.930 -3.284) 23.799 22.855 ( -1.002 0.837 -14.918) 14.975 23.621 ( 1.326 -11.953 -12.032) 17.011 ======================= Grid point 375 (191/312) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.089 ( 8.089 2.393 -1.492) 8.566 4.286 ( -3.842 -2.507 -2.180) 5.079 4.778 ( 8.167 -9.354 4.542) 13.222 4.903 ( -0.360 8.847 16.071) 18.349 5.274 ( -11.309 -1.081 0.754) 11.386 5.326 ( -14.163 -9.897 -2.743) 17.495 6.545 ( -7.110 -21.188 -14.197) 26.477 6.594 ( 0.502 -13.304 -8.916) 16.023 6.995 ( -7.951 19.218 1.101) 20.827 7.726 ( 0.338 17.156 0.452) 17.165 8.220 ( -5.506 6.004 6.501) 10.422 8.455 ( 14.283 17.963 22.505) 32.143 8.932 ( 13.021 0.854 -8.584) 15.619 9.587 ( 4.550 -6.510 2.654) 8.374 9.680 ( 2.506 2.020 7.565) 8.221 9.869 ( -1.797 2.977 0.290) 3.489 11.887 ( -4.435 2.972 11.201) 12.408 12.247 ( 6.610 0.669 10.153) 12.133 12.709 ( 7.938 -4.215 6.266) 10.956 12.917 ( 2.312 -2.120 10.739) 11.188 13.800 ( -6.659 17.665 6.029) 19.817 14.187 ( -8.215 30.072 5.666) 31.685 14.796 ( -0.459 -2.599 36.289) 36.385 14.953 ( 15.861 23.476 -2.584) 28.449 15.395 ( 17.171 21.390 0.718) 27.439 15.935 ( 0.219 -9.086 23.488) 25.185 16.378 ( -3.514 14.642 2.154) 15.211 17.394 ( -12.275 -11.241 -4.709) 17.298 17.993 ( -5.834 2.072 -10.068) 11.819 18.472 ( -12.180 0.526 -10.695) 16.218 18.733 ( 1.184 -5.221 -7.009) 8.819 19.806 ( -9.452 2.073 -17.632) 20.113 21.005 ( -2.730 -8.311 14.335) 16.793 22.100 ( 12.691 -22.415 -0.227) 25.759 22.797 ( 0.706 -2.852 -15.858) 16.128 23.574 ( -1.278 -14.596 -14.294) 20.470 ======================= Grid point 376 (192/312) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( -15.246 -2.034 -0.163) 15.382 4.255 ( 5.858 -10.251 -3.253) 12.247 4.800 ( -16.959 6.683 9.033) 20.344 5.018 ( 4.146 -9.933 6.424) 12.535 5.143 ( 5.695 0.099 4.051) 6.989 5.259 ( 10.779 -8.467 -0.697) 13.724 6.243 ( -13.516 -19.820 -10.677) 26.258 6.705 ( 9.342 -13.366 -18.035) 24.314 6.880 ( -5.056 21.240 10.804) 24.360 7.729 ( -0.388 15.235 -1.398) 15.304 8.084 ( -9.743 10.512 5.901) 15.500 8.704 ( 4.297 8.746 18.522) 20.929 9.143 ( 8.659 10.772 -4.723) 14.606 9.611 ( 0.143 -2.848 3.757) 4.717 9.755 ( -2.608 -3.511 -5.648) 7.143 9.883 ( 5.227 4.209 7.737) 10.242 11.822 ( -5.755 5.705 12.232) 14.673 12.416 ( 4.249 -2.453 13.971) 14.808 12.804 ( 1.597 2.425 7.562) 8.101 13.073 ( 8.510 -0.629 0.568) 8.552 13.740 ( -1.309 24.223 12.877) 27.464 14.031 ( -9.722 21.090 7.286) 24.339 14.808 ( -6.980 8.025 25.858) 27.960 15.213 ( 7.332 16.725 -0.918) 18.284 15.718 ( 6.846 21.208 7.470) 23.504 15.911 ( -4.545 -5.021 16.349) 17.696 16.375 ( 1.144 2.496 13.937) 14.205 17.147 ( -9.608 -10.292 -4.925) 14.917 17.945 ( 5.048 1.684 -12.626) 13.702 18.224 ( -7.082 4.101 -12.638) 15.056 18.781 ( 5.643 -9.160 -5.703) 12.177 19.591 ( -4.963 3.818 -20.444) 21.381 21.033 ( -0.067 -4.798 16.565) 17.246 22.321 ( 9.260 -21.421 -1.545) 23.388 22.783 ( 3.340 -6.954 -13.221) 15.308 23.477 ( -2.553 -15.966 -17.191) 23.599 ======================= Grid point 377 (193/312) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( -17.388 1.933 3.521) 17.847 4.361 ( 5.566 -8.196 -2.133) 10.134 4.425 ( -20.594 8.428 8.347) 23.766 5.106 ( 6.656 -6.177 -0.465) 9.093 5.337 ( 8.430 -2.873 3.624) 9.615 5.628 ( 21.191 -18.381 5.594) 28.604 5.965 ( -10.238 -9.269 -9.764) 16.914 6.717 ( -1.541 2.040 -10.532) 10.838 6.940 ( 3.676 9.939 15.079) 18.431 7.653 ( -7.514 8.483 -4.442) 12.172 7.935 ( -3.978 15.518 0.802) 16.040 8.802 ( 0.186 4.572 17.626) 18.210 9.208 ( -1.180 12.371 -2.931) 12.769 9.589 ( -5.873 2.188 -1.139) 6.370 9.677 ( 0.222 -8.530 -0.660) 8.559 9.998 ( 3.039 1.070 1.415) 3.519 11.749 ( -5.984 7.556 13.413) 16.517 12.448 ( -5.819 -6.576 12.454) 15.238 12.926 ( 8.155 8.047 7.746) 13.830 13.193 ( 4.582 7.531 -2.935) 9.291 13.799 ( -5.530 22.472 10.569) 25.441 13.891 ( -0.752 9.592 11.688) 15.139 14.727 ( -8.956 9.055 20.155) 23.841 15.157 ( -12.861 5.454 -1.251) 14.026 15.594 ( -11.817 16.662 7.791) 21.862 15.992 ( -1.443 7.762 8.947) 11.932 16.516 ( 4.869 -1.162 25.834) 26.315 17.038 ( 2.055 -2.243 -3.518) 4.651 18.082 ( 11.871 0.144 -13.960) 18.326 18.124 ( 1.944 3.140 -13.830) 14.315 18.924 ( 10.428 -7.935 -3.693) 13.614 19.477 ( 0.940 1.799 -19.215) 19.322 21.106 ( 1.371 -1.920 15.304) 15.484 22.454 ( 5.903 -17.612 -6.760) 19.767 22.832 ( 4.162 -10.635 -6.834) 13.309 23.366 ( -1.405 -15.362 -19.857) 25.145 ======================= Grid point 378 (194/312) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( -10.589 13.565 6.096) 18.256 4.050 ( -20.033 14.031 15.785) 29.109 4.508 ( 10.470 -1.646 -5.484) 11.934 5.221 ( 1.358 -12.212 5.523) 13.471 5.508 ( 10.211 -10.491 -6.064) 15.846 5.772 ( -6.612 4.424 -4.802) 9.292 6.077 ( 20.572 -19.425 7.180) 29.190 6.661 ( -1.494 10.690 -0.148) 10.795 6.969 ( -10.028 19.511 21.292) 30.571 7.473 ( -3.248 -5.670 -15.080) 16.435 7.936 ( 3.029 14.446 -1.769) 14.866 8.870 ( 0.789 4.812 18.294) 18.933 9.067 ( -11.220 6.687 -2.788) 13.356 9.470 ( -3.706 -0.401 -4.892) 6.150 9.676 ( -2.203 -7.344 2.583) 8.091 10.006 ( -1.532 -1.021 -2.675) 3.247 11.680 ( -5.619 8.200 13.588) 16.836 12.318 ( -9.478 -4.876 7.170) 12.846 13.122 ( 5.322 9.766 11.762) 16.188 13.294 ( 7.899 11.246 -1.738) 13.852 13.612 ( -10.427 6.215 2.121) 12.322 13.984 ( -0.309 10.665 13.470) 17.184 14.598 ( -10.239 3.773 8.523) 13.846 14.783 ( -20.505 -0.616 4.667) 21.039 15.399 ( -10.387 20.406 8.353) 24.374 15.872 ( -10.506 7.134 2.960) 13.040 16.672 ( 0.192 4.161 27.537) 27.850 17.212 ( 13.689 6.123 2.466) 15.198 18.166 ( 6.495 -1.729 -9.421) 11.573 18.293 ( 12.900 1.504 -18.783) 22.836 19.174 ( 15.157 -4.423 -1.191) 15.834 19.507 ( 8.088 -3.436 -14.450) 16.913 21.173 ( 0.309 -1.063 9.950) 10.011 22.528 ( 3.573 -16.459 -7.496) 18.436 22.853 ( 0.565 -8.689 -8.427) 12.117 23.312 ( 2.889 -12.548 -17.736) 21.917 ======================= Grid point 379 (195/312) ======================= q-point: (-0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( -0.482 25.850 10.625) 27.952 3.748 ( -16.289 19.690 21.464) 33.373 4.746 ( 15.388 7.657 -8.565) 19.204 5.194 ( -4.126 -15.704 3.421) 16.594 5.623 ( -3.529 3.992 3.809) 6.550 5.722 ( 7.190 -5.368 -3.857) 9.767 6.486 ( 16.350 -15.603 9.965) 24.700 6.623 ( -8.855 25.998 9.056) 28.919 6.745 ( -9.362 14.974 7.817) 19.312 7.439 ( 3.087 -12.206 -12.912) 18.034 8.002 ( 3.207 9.237 -1.079) 9.838 8.772 ( -14.554 5.843 0.190) 15.684 9.001 ( 4.865 -0.190 14.045) 14.865 9.390 ( -2.914 -5.618 -6.485) 9.062 9.584 ( -7.922 -4.993 2.201) 9.619 9.955 ( -1.678 -2.544 -2.600) 4.006 11.623 ( -4.413 7.288 12.629) 15.234 12.152 ( -8.364 -3.472 4.161) 9.966 13.124 ( -9.848 12.070 11.189) 19.180 13.445 ( 3.798 7.471 -8.246) 11.757 13.549 ( 6.887 -0.003 10.964) 12.948 13.925 ( -9.062 7.839 10.814) 16.140 14.212 ( -23.556 -8.519 -4.542) 25.458 14.622 ( -1.133 5.362 3.790) 6.663 15.258 ( -7.433 18.792 16.660) 26.190 15.651 ( -12.050 13.379 2.886) 18.235 16.713 ( -3.958 13.391 18.813) 23.429 17.531 ( 14.679 4.873 10.040) 18.440 18.289 ( 7.872 -4.737 -4.956) 10.439 18.440 ( 9.081 1.920 -23.027) 24.827 19.502 ( 16.601 -3.555 2.254) 17.127 19.689 ( 13.785 -8.146 -10.396) 19.091 21.174 ( -2.538 -2.146 2.770) 4.327 22.469 ( -7.841 -16.816 -8.567) 20.436 22.891 ( 8.611 -2.703 -11.560) 14.666 23.324 ( 2.528 -8.213 -12.971) 15.559 ======================= Grid point 380 (196/312) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 5.795 30.698 16.404) 35.285 3.565 ( -9.613 26.581 24.287) 37.267 5.026 ( 12.194 10.661 -8.437) 18.263 5.125 ( -0.043 -7.120 -3.458) 7.915 5.606 ( 1.096 10.719 12.546) 16.538 5.824 ( 2.620 -12.202 -0.726) 12.502 6.306 ( -18.631 31.957 9.806) 38.269 6.680 ( -1.502 11.455 9.562) 14.997 6.882 ( 14.864 -10.436 6.668) 19.347 7.476 ( 4.309 -11.356 -9.777) 15.592 8.041 ( 0.949 3.212 0.524) 3.390 8.491 ( -12.562 -0.382 -3.012) 12.924 9.169 ( 6.375 -1.629 9.932) 11.914 9.285 ( -5.689 -14.362 -7.838) 17.323 9.400 ( -9.331 0.640 1.169) 9.425 9.936 ( -0.031 -2.010 0.037) 2.011 11.605 ( -1.639 5.068 12.874) 13.933 12.040 ( -3.640 -3.611 4.506) 6.826 12.883 ( -15.046 5.102 5.601) 16.846 13.478 ( -3.607 12.711 1.687) 13.321 13.644 ( -10.278 -6.364 10.980) 16.331 13.799 ( 2.017 -7.155 -5.735) 9.389 13.847 ( -6.169 6.250 5.509) 10.366 14.663 ( 5.371 2.942 -6.326) 8.804 15.226 ( -3.169 18.055 23.666) 29.935 15.414 ( -13.165 20.372 6.776) 25.184 16.659 ( -6.123 21.719 10.420) 24.855 17.826 ( 9.585 1.034 13.570) 16.646 18.434 ( 7.502 -5.918 -1.509) 9.674 18.510 ( 6.981 1.258 -25.300) 26.276 19.796 ( 9.052 -9.521 6.403) 14.614 19.961 ( 16.854 -9.766 -10.431) 22.096 21.101 ( -4.058 -2.385 -3.069) 5.619 22.204 ( -13.576 -12.399 -12.087) 22.003 23.079 ( 12.308 -1.258 -9.656) 15.694 23.296 ( -1.114 -3.025 -10.838) 11.307 ======================= Grid point 381 (197/312) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( 0.759 21.220 18.053) 27.871 4.280 ( 1.448 32.556 17.141) 36.821 4.776 ( -1.197 -14.875 3.464) 15.320 5.433 ( 3.085 -20.698 7.969) 22.392 5.718 ( 4.824 16.633 -20.063) 26.503 5.887 ( -0.191 6.866 -0.765) 6.911 6.692 ( 0.622 14.572 0.833) 14.609 6.804 ( 5.213 7.193 10.929) 14.084 7.124 ( 5.432 0.832 6.918) 8.835 7.355 ( 9.004 -2.322 -1.896) 9.490 8.062 ( -2.346 2.944 -4.135) 5.592 8.288 ( -8.373 3.977 -2.395) 9.574 8.723 ( -11.233 -17.557 -4.688) 21.363 8.910 ( -6.529 -15.478 -8.151) 18.672 9.555 ( 1.405 7.998 12.928) 15.266 9.847 ( -1.548 -6.051 3.450) 7.136 11.711 ( -0.944 4.386 13.194) 13.935 11.950 ( 1.398 -6.354 10.028) 11.954 12.674 ( -15.235 5.389 5.350) 17.023 13.039 ( -18.696 -10.341 9.156) 23.245 13.682 ( 3.802 2.343 4.955) 6.670 13.771 ( 4.295 -1.195 0.346) 4.471 14.206 ( 7.149 16.312 -1.843) 17.904 14.701 ( 6.950 -6.920 -10.215) 14.161 15.586 ( -6.193 15.086 25.212) 30.027 15.633 ( -6.109 13.562 26.564) 30.445 17.072 ( -3.896 25.176 13.202) 28.693 17.872 ( -2.314 -9.833 12.457) 16.038 18.497 ( 6.874 -1.695 -6.121) 9.359 18.549 ( 6.240 -1.481 -17.109) 18.272 19.656 ( -3.717 -6.726 2.948) 8.231 19.869 ( 4.221 -17.658 -2.493) 18.326 21.158 ( 0.900 10.872 -15.738) 19.149 21.682 ( -9.024 -11.775 -16.970) 22.540 23.211 ( 0.836 1.232 -11.084) 11.183 23.266 ( 8.778 -2.368 -9.745) 13.328 ======================= Grid point 382 (198/312) ======================= q-point: ( 0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( 3.983 19.279 16.185) 25.485 4.326 ( -2.346 31.634 13.776) 34.584 4.767 ( -0.264 -11.257 -1.298) 11.334 5.397 ( -7.332 -16.746 2.441) 18.443 5.719 ( -5.576 6.051 -5.504) 9.900 5.741 ( -6.142 5.108 -6.379) 10.223 6.731 ( -0.030 2.524 -4.980) 5.583 6.960 ( 0.562 1.708 3.348) 3.801 7.243 ( 11.238 19.007 17.413) 28.120 7.614 ( 13.606 5.552 3.217) 15.043 7.986 ( -2.685 4.386 -12.581) 13.591 8.197 ( -1.096 3.390 6.481) 7.395 8.499 ( -7.107 -16.028 -9.464) 19.924 8.832 ( 1.740 -19.878 -4.753) 20.512 9.633 ( 1.796 4.112 11.650) 12.484 9.821 ( -1.656 -5.136 2.681) 6.026 11.752 ( 0.526 3.382 10.397) 10.946 12.032 ( 2.649 -9.023 7.122) 11.797 12.442 ( -10.136 5.649 9.750) 15.157 12.793 ( -9.812 -8.828 15.729) 20.533 13.813 ( 8.126 4.337 2.979) 9.681 13.921 ( 10.239 -0.396 1.037) 10.299 14.357 ( 8.081 14.670 1.102) 16.785 14.804 ( 7.026 -5.398 -10.143) 13.468 15.480 ( -10.366 21.202 27.886) 36.532 15.702 ( -0.123 9.164 26.944) 28.460 17.021 ( -4.528 26.151 6.747) 27.384 17.810 ( -6.800 -11.003 6.326) 14.398 18.570 ( 3.200 -1.280 -10.819) 11.355 18.600 ( 1.709 -0.860 -6.574) 6.847 19.486 ( -12.322 -2.096 0.517) 12.509 19.915 ( 0.801 -23.858 0.613) 23.879 21.132 ( 0.604 5.621 -12.822) 14.013 21.466 ( -5.611 -8.055 -15.934) 18.716 23.149 ( -2.322 5.103 -12.050) 13.291 23.378 ( 5.549 -6.205 -10.769) 13.611 ======================= Grid point 383 (199/312) ======================= q-point: ( 0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.261 ( 4.224 17.759 8.134) 19.984 4.297 ( -2.907 24.544 9.807) 26.590 4.742 ( -1.075 -4.236 -7.245) 8.461 5.204 ( -11.858 -10.235 4.166) 16.209 5.476 ( -13.110 -1.420 8.995) 15.963 5.656 ( -4.150 -5.589 -10.141) 12.300 6.639 ( -5.229 -1.421 -16.039) 16.929 6.776 ( -13.922 -9.120 -3.289) 16.965 7.590 ( 4.650 18.367 6.883) 20.158 7.899 ( 13.606 9.451 5.307) 17.395 7.942 ( 7.761 19.172 4.688) 21.208 8.243 ( 2.160 1.526 6.371) 6.898 8.440 ( 5.316 -11.576 -10.867) 16.744 8.949 ( 9.764 -18.481 3.118) 21.133 9.695 ( 0.463 1.551 9.041) 9.185 9.817 ( 0.381 -4.063 3.078) 5.111 11.808 ( 2.284 2.367 8.417) 9.037 12.080 ( 0.830 -10.358 0.491) 10.403 12.364 ( -1.836 7.512 16.849) 18.539 12.735 ( -3.404 -8.901 19.672) 21.859 14.003 ( 7.910 6.599 3.244) 10.800 14.153 ( 11.158 -1.332 3.729) 11.840 14.567 ( 12.732 13.360 6.101) 19.438 14.927 ( 9.708 0.622 -11.645) 15.174 15.388 ( -9.377 22.995 33.187) 41.450 15.783 ( -1.110 5.826 23.775) 24.504 16.942 ( -4.851 23.799 1.755) 24.351 17.655 ( -9.857 -11.361 1.431) 15.109 18.500 ( -6.875 1.525 -10.181) 12.379 18.579 ( -1.186 -3.378 -6.593) 7.502 19.230 ( -12.304 4.691 0.139) 13.169 19.898 ( -3.340 -25.972 2.125) 26.272 21.065 ( -3.063 3.717 -7.991) 9.330 21.389 ( 3.086 -10.291 -12.629) 16.581 23.044 ( -3.345 6.837 -14.112) 16.034 23.409 ( 1.707 -10.218 -12.446) 16.193 ======================= Grid point 384 (200/312) ======================= q-point: ( 0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.215 ( -4.320 15.847 0.841) 16.447 4.379 ( 2.319 9.318 -1.523) 9.722 4.669 ( -3.830 -1.255 -4.685) 6.180 5.020 ( -7.000 -4.487 12.195) 14.760 5.269 ( -10.542 -6.127 5.420) 13.343 5.519 ( -6.572 -5.846 -5.115) 10.175 6.441 ( -7.179 -7.810 -20.646) 23.212 6.470 ( -12.802 -11.523 -8.603) 19.253 7.523 ( -6.282 18.191 0.071) 19.245 7.979 ( 1.927 7.233 0.391) 7.495 8.271 ( 1.772 0.513 2.024) 2.739 8.414 ( 14.481 14.940 16.829) 26.760 8.643 ( 18.918 1.753 -2.506) 19.164 9.205 ( 12.730 -12.055 7.204) 18.954 9.716 ( -0.882 1.515 6.712) 6.937 9.845 ( 0.921 -3.678 3.433) 5.115 11.908 ( 3.584 2.691 10.559) 11.471 12.102 ( 1.587 -5.364 4.676) 7.291 12.472 ( 6.382 3.777 14.243) 16.058 12.762 ( -0.586 -7.771 17.338) 19.009 14.093 ( 0.459 9.371 2.558) 9.725 14.379 ( 8.881 -5.154 5.930) 11.857 14.874 ( 9.080 15.804 20.347) 27.317 15.131 ( 14.514 17.483 -8.730) 24.342 15.377 ( 0.598 11.521 26.652) 29.042 15.816 ( -3.743 1.761 22.019) 22.404 16.831 ( -6.542 19.119 -1.459) 20.260 17.433 ( -11.934 -11.485 -2.454) 16.743 18.276 ( -10.633 4.156 -8.567) 14.273 18.500 ( -3.749 -7.149 -7.856) 11.264 19.002 ( -10.612 10.811 -0.824) 15.171 19.788 ( -7.600 -23.138 -0.875) 24.370 21.000 ( -0.804 5.642 -2.608) 6.267 21.477 ( 8.472 -16.698 -6.640) 19.867 22.923 ( -3.208 6.381 -16.801) 18.256 23.365 ( -1.225 -13.580 -14.674) 20.031 ======================= Grid point 385 (201/312) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.127 ( -3.438 2.193 -3.491) 5.368 4.282 ( -10.573 -0.879 -6.841) 12.624 4.649 ( 4.324 -0.734 4.830) 6.524 5.021 ( 0.245 -8.795 4.990) 10.115 5.111 ( -4.749 4.958 3.417) 7.669 5.337 ( -10.162 0.879 -3.288) 10.717 6.171 ( -11.031 -12.250 -10.392) 19.487 6.335 ( 2.481 -13.607 -19.453) 23.869 7.406 ( -5.850 21.232 3.325) 22.273 7.990 ( -1.008 3.455 0.671) 3.661 8.277 ( -1.249 4.986 2.750) 5.829 8.641 ( 6.691 -0.476 5.254) 8.520 9.081 ( 19.131 13.178 7.576) 24.435 9.453 ( 8.383 -5.860 4.003) 10.984 9.721 ( -0.163 2.041 6.293) 6.618 9.870 ( 0.149 -2.866 5.506) 6.209 11.974 ( -1.440 5.533 12.916) 14.125 12.202 ( 4.693 -4.587 11.495) 13.236 12.685 ( 9.290 1.588 10.358) 14.004 12.844 ( 4.449 -4.683 12.017) 13.643 14.085 ( -1.332 13.051 3.699) 13.630 14.519 ( 3.730 -5.054 -1.451) 6.447 14.919 ( -13.253 22.543 45.027) 52.070 15.464 ( 16.498 24.172 0.612) 29.272 15.625 ( 9.589 -7.172 18.953) 22.419 15.824 ( 3.951 4.886 11.122) 12.775 16.663 ( -9.490 13.994 -2.340) 17.069 17.171 ( -12.574 -11.498 -4.548) 17.635 18.072 ( -5.797 5.864 -7.956) 11.458 18.392 ( -3.824 -8.257 -8.206) 12.253 18.802 ( -8.190 12.490 -2.513) 15.145 19.609 ( -8.529 -20.030 -5.606) 22.480 21.022 ( 2.836 9.021 2.854) 9.877 21.661 ( 10.840 -21.198 -1.505) 23.856 22.805 ( -1.928 4.393 -19.331) 19.918 23.266 ( -2.696 -15.895 -17.432) 23.744 ======================= Grid point 386 (202/312) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( -12.838 -0.855 -2.387) 13.086 4.087 ( 1.311 -6.300 -3.720) 7.432 4.837 ( 9.399 -3.184 6.742) 11.997 4.955 ( -10.811 4.495 -0.446) 11.717 5.041 ( 1.669 -5.931 -5.144) 8.027 5.226 ( 0.462 -0.923 1.043) 1.467 5.976 ( -4.101 -4.437 -9.622) 11.362 6.394 ( 8.656 -17.089 -17.666) 26.059 7.318 ( -4.647 22.136 7.877) 23.951 7.938 ( -4.887 -0.483 1.769) 5.220 8.251 ( -1.841 11.691 1.397) 11.918 8.751 ( 2.757 -4.338 4.731) 6.986 9.368 ( 5.962 9.604 2.038) 11.486 9.543 ( 1.943 -1.080 2.549) 3.383 9.738 ( -2.045 1.655 3.627) 4.480 9.923 ( 2.800 -1.373 9.976) 10.452 11.961 ( -4.269 8.129 14.773) 17.394 12.304 ( -0.314 -7.860 15.362) 17.259 12.881 ( 7.769 4.672 8.005) 12.095 13.038 ( 10.531 -2.708 4.593) 11.804 14.093 ( 0.572 15.090 6.529) 16.452 14.476 ( -7.707 12.217 -3.962) 14.978 14.804 ( -12.476 4.242 45.785) 47.644 15.445 ( -17.631 -7.668 22.087) 29.283 15.927 ( 14.989 18.303 4.865) 24.153 16.147 ( 16.313 15.735 6.345) 23.537 16.453 ( -9.543 5.451 0.171) 10.991 16.940 ( -7.055 -11.551 -1.921) 13.670 18.013 ( 2.974 5.445 -8.387) 10.433 18.298 ( -2.216 -1.335 -10.761) 11.068 18.697 ( -0.614 5.463 -1.389) 5.670 19.431 ( -6.162 -18.261 -9.267) 21.384 21.123 ( 5.156 12.824 6.539) 15.291 21.879 ( 10.463 -22.477 0.600) 24.800 22.721 ( 0.800 1.440 -20.154) 20.221 23.146 ( -2.330 -16.798 -20.534) 26.632 ======================= Grid point 387 (203/312) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( -6.574 8.154 -0.484) 10.485 4.177 ( 8.956 -9.181 -2.843) 13.137 4.640 ( -16.832 11.444 7.297) 21.623 4.995 ( 2.570 -4.719 1.293) 5.527 5.182 ( 4.775 -10.075 -5.306) 12.348 5.312 ( 14.785 -13.740 0.479) 20.189 5.942 ( 2.848 7.124 -8.786) 11.664 6.515 ( 8.948 -16.376 -17.070) 25.291 7.281 ( -2.626 19.862 12.022) 23.365 7.795 ( -10.390 0.661 3.188) 10.888 8.224 ( -0.686 15.487 -1.036) 15.537 8.797 ( 0.608 -6.362 4.430) 7.776 9.349 ( -4.944 3.320 -2.625) 6.508 9.569 ( -3.102 -4.032 -0.916) 5.169 9.678 ( -3.968 9.150 9.951) 14.089 9.992 ( -0.171 -2.843 6.555) 7.147 11.915 ( -5.602 9.122 15.681) 18.987 12.291 ( -6.015 -9.022 15.192) 18.665 13.076 ( 9.132 6.970 5.924) 12.926 13.246 ( 9.353 -0.658 -1.215) 9.454 14.109 ( -6.096 12.967 5.789) 15.454 14.255 ( -9.525 19.235 8.109) 22.945 14.715 ( -10.580 -5.187 27.292) 29.727 15.078 ( -25.054 -12.360 20.793) 34.826 16.030 ( -7.605 22.661 -0.261) 23.904 16.183 ( -7.682 8.471 1.836) 11.582 16.549 ( 10.895 6.264 19.081) 22.848 16.999 ( 12.348 -4.481 4.758) 13.971 18.118 ( 9.594 3.823 -9.412) 13.973 18.238 ( 1.160 6.026 -14.443) 15.693 18.784 ( 8.935 -3.115 2.111) 9.695 19.317 ( -1.170 -16.686 -10.708) 19.861 21.251 ( 4.756 15.485 5.869) 17.229 22.063 ( 7.555 -21.323 -1.097) 22.649 22.705 ( 4.157 -1.564 -17.625) 18.176 23.048 ( 0.826 -15.874 -22.627) 27.652 ======================= Grid point 388 (204/312) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.759 ( 2.069 19.670 2.031) 19.882 4.316 ( -8.506 9.397 5.503) 13.818 4.465 ( 10.144 -1.838 5.210) 11.551 4.956 ( -5.644 -14.526 5.411) 16.497 5.310 ( 10.601 -4.743 -7.361) 13.750 5.668 ( 16.344 -16.851 0.981) 23.495 5.989 ( 5.482 12.107 -8.668) 15.867 6.628 ( 8.068 -13.604 -14.174) 21.239 7.280 ( -2.812 14.925 13.283) 20.177 7.553 ( -13.879 6.939 1.583) 15.597 8.214 ( -0.060 14.491 -1.909) 14.617 8.817 ( 0.106 -9.990 0.964) 10.037 9.202 ( -8.652 6.183 0.915) 10.673 9.423 ( -8.939 -2.926 -1.040) 9.463 9.646 ( -4.033 4.470 9.876) 11.566 9.951 ( -5.158 -5.283 3.801) 8.304 11.849 ( -6.370 8.803 14.993) 18.517 12.189 ( -8.505 -7.740 12.130) 16.714 13.271 ( 7.561 6.357 5.971) 11.543 13.413 ( 8.423 1.031 -4.087) 9.419 13.823 ( -18.628 13.771 6.554) 24.075 14.215 ( -3.007 9.908 6.045) 11.990 14.490 ( -22.037 -9.550 10.750) 26.313 14.703 ( -14.371 -7.059 19.192) 24.994 15.799 ( -13.191 16.980 8.217) 23.018 16.033 ( -8.342 6.033 5.381) 11.617 16.814 ( 6.976 12.871 24.936) 28.916 17.321 ( 14.725 -0.014 9.054) 17.286 18.213 ( 4.306 6.388 -15.303) 17.133 18.318 ( 10.457 1.528 -13.612) 17.233 19.042 ( 14.471 -6.274 5.361) 16.659 19.333 ( 6.807 -13.849 -9.383) 18.060 21.327 ( 1.460 15.885 -0.576) 15.963 22.156 ( 2.337 -20.820 -5.186) 21.583 22.753 ( 6.582 -0.923 -15.597) 16.954 23.047 ( 6.495 -13.352 -19.127) 24.214 ======================= Grid point 389 (205/312) ======================= q-point: (-0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.869 ( 5.983 26.707 6.188) 28.060 4.147 ( -8.302 20.452 16.946) 27.828 4.770 ( 9.812 -11.766 0.943) 15.350 4.910 ( 4.990 -10.710 6.817) 13.641 5.500 ( 9.723 -1.640 -4.911) 11.015 5.829 ( 1.987 2.026 -7.515) 8.033 6.211 ( 17.141 -5.105 1.240) 17.928 6.746 ( 8.085 -12.013 -11.434) 18.451 7.185 ( -13.500 19.504 13.340) 27.214 7.335 ( -4.693 5.509 -2.784) 7.754 8.193 ( -1.847 10.590 -1.227) 10.819 8.741 ( -8.144 -10.236 -6.297) 14.517 9.074 ( -4.723 6.368 6.488) 10.245 9.241 ( -8.524 -5.981 -0.874) 10.450 9.572 ( -6.523 3.028 9.353) 11.798 9.864 ( -3.505 -7.021 4.170) 8.886 11.771 ( -6.169 7.503 13.350) 16.509 12.052 ( -8.339 -6.225 8.890) 13.687 13.321 ( -11.437 8.693 6.211) 15.651 13.503 ( 1.922 0.683 -4.565) 5.000 13.612 ( 0.628 3.631 11.228) 11.818 13.988 ( -23.984 -13.009 2.177) 27.371 14.155 ( -6.598 14.049 4.789) 16.244 14.594 ( -2.272 -6.153 2.796) 7.130 15.620 ( -9.157 16.473 19.515) 27.130 15.892 ( -8.924 7.135 11.985) 16.559 16.992 ( 2.026 17.217 24.965) 30.393 17.610 ( 9.997 -1.926 12.918) 16.447 18.266 ( 6.413 3.509 -14.215) 15.985 18.440 ( 7.100 -1.600 -18.488) 19.869 19.354 ( 13.584 -7.558 6.361) 16.796 19.516 ( 13.038 -10.542 -5.939) 17.787 21.305 ( -1.654 14.788 -8.993) 17.387 22.103 ( -4.557 -20.150 -11.454) 23.622 22.879 ( 11.030 1.834 -12.907) 17.077 23.140 ( 7.371 -9.736 -13.501) 18.204 ======================= Grid point 390 (206/312) ======================= q-point: (-0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -0.920 22.282 14.675) 26.697 4.163 ( 2.854 31.164 17.632) 35.920 4.791 ( -1.950 -17.107 5.700) 18.137 5.218 ( 14.990 -8.671 4.682) 17.939 5.655 ( 7.733 4.521 -8.894) 12.623 5.830 ( 2.576 9.832 -6.089) 11.848 6.564 ( 14.769 -9.570 6.627) 18.805 6.804 ( -3.185 3.019 -7.483) 8.675 7.004 ( -1.527 16.399 7.752) 18.203 7.287 ( -0.081 -0.895 -1.293) 1.575 8.131 ( -3.595 6.269 -0.735) 7.264 8.506 ( -11.479 -1.362 -4.669) 12.467 8.951 ( -9.132 -11.910 -4.358) 15.628 9.085 ( -7.860 -8.684 -0.387) 11.719 9.507 ( -2.146 8.286 11.971) 14.716 9.849 ( -0.423 -6.731 4.837) 8.300 11.712 ( -3.938 5.719 13.051) 14.783 11.946 ( -4.511 -5.548 8.396) 11.028 12.998 ( -18.188 7.315 4.269) 20.064 13.428 ( -19.913 -12.973 6.880) 24.742 13.612 ( -0.145 3.016 9.379) 9.853 13.727 ( 0.813 -2.538 -1.533) 3.074 14.108 ( 2.162 16.950 -2.307) 17.243 14.611 ( 4.500 -6.869 -7.558) 11.160 15.566 ( -4.855 15.333 27.511) 31.867 15.754 ( -10.068 10.785 17.465) 22.863 17.073 ( -1.780 21.661 20.209) 29.678 17.805 ( 4.083 -6.464 15.633) 17.403 18.369 ( 7.934 0.352 -10.095) 12.844 18.494 ( 5.941 -2.590 -20.827) 21.812 19.595 ( 7.693 -8.021 4.720) 12.075 19.744 ( 9.830 -11.942 -3.337) 15.823 21.222 ( -1.734 13.637 -14.624) 20.071 21.919 ( -8.322 -16.527 -15.947) 24.428 23.077 ( 11.923 1.214 -10.382) 15.856 23.215 ( 4.052 -4.721 -11.089) 12.715 ======================= Grid point 391 (207/312) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( 0.720 -18.588 12.106) 22.194 4.403 ( 0.720 18.588 12.106) 22.194 4.927 ( 0.892 -28.649 11.381) 30.840 4.927 ( 0.892 28.649 11.381) 30.840 5.946 ( 0.638 -3.655 -11.450) 12.036 5.946 ( 0.638 3.655 -11.450) 12.036 6.780 ( 8.041 -7.093 -1.608) 10.842 6.780 ( 8.041 7.093 -1.608) 10.842 7.310 ( 7.142 -9.451 5.007) 12.861 7.310 ( 7.142 9.451 5.007) 12.861 8.213 ( -3.483 -11.724 -4.485) 13.027 8.213 ( -3.483 11.724 -4.485) 13.027 8.631 ( -13.053 -10.184 -2.077) 16.686 8.631 ( -13.053 10.184 -2.077) 16.686 9.709 ( -0.649 -7.581 7.723) 10.842 9.709 ( -0.649 7.581 7.723) 10.842 11.820 ( -0.509 -6.409 11.779) 13.419 11.820 ( -0.509 6.409 11.779) 13.419 12.829 ( -16.828 -9.882 8.339) 21.222 12.829 ( -16.828 9.882 8.339) 21.222 13.733 ( 4.723 -2.494 2.727) 5.997 13.733 ( 4.723 2.494 2.727) 5.997 14.503 ( 6.852 -12.893 -7.013) 16.198 14.503 ( 6.852 12.893 -7.013) 16.198 15.756 ( -5.942 -1.754 28.694) 29.355 15.756 ( -5.942 1.754 28.694) 29.355 17.553 ( -3.349 -21.905 15.306) 26.932 17.553 ( -3.349 21.905 15.306) 26.932 18.507 ( 6.574 -2.091 -11.980) 13.824 18.507 ( 6.574 2.091 -11.980) 13.824 19.632 ( -0.637 -5.304 0.111) 5.343 19.632 ( -0.637 5.304 0.111) 5.343 21.418 ( -3.682 -14.226 -18.845) 23.897 21.418 ( -3.682 14.226 -18.845) 23.897 23.232 ( 5.175 -1.175 -10.688) 11.933 23.232 ( 5.175 1.175 -10.688) 11.933 ======================= Grid point 393 (208/312) ======================= q-point: ( 0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.475 ( 2.560 -17.004 8.777) 19.306 4.475 ( 2.560 17.004 8.777) 19.306 4.930 ( -4.032 -28.177 8.745) 29.777 4.930 ( -4.032 28.177 8.745) 29.777 5.801 ( -10.514 -1.110 -7.483) 12.953 5.801 ( -10.514 1.110 -7.483) 12.953 6.824 ( -2.524 -7.965 -6.216) 10.414 6.824 ( -2.524 7.965 -6.216) 10.414 7.614 ( 18.010 -10.562 8.042) 22.374 7.614 ( 18.010 10.562 8.042) 22.374 8.153 ( -0.339 -12.831 -8.192) 15.227 8.153 ( -0.339 12.831 -8.192) 15.227 8.441 ( -4.219 -16.854 2.582) 17.565 8.441 ( -4.219 16.854 2.582) 17.565 9.720 ( -0.524 -4.813 6.768) 8.321 9.720 ( -0.524 4.813 6.768) 8.321 11.863 ( 0.694 -7.522 7.804) 10.861 11.863 ( 0.694 7.522 7.804) 10.861 12.599 ( -9.708 -9.620 15.069) 20.343 12.599 ( -9.708 9.620 15.069) 20.343 13.889 ( 9.944 -2.918 1.373) 10.453 13.889 ( 9.944 2.918 1.373) 10.453 14.626 ( 7.532 -11.899 -3.966) 14.631 14.626 ( 7.532 11.899 -3.966) 14.631 15.750 ( -5.008 -5.263 28.944) 29.842 15.750 ( -5.008 5.263 28.944) 29.842 17.497 ( -6.240 -20.839 8.184) 23.242 17.497 ( -6.240 20.839 8.184) 23.242 18.574 ( 2.778 -1.477 -8.153) 8.739 18.574 ( 2.778 1.477 -8.153) 8.739 19.560 ( -5.706 -10.699 0.783) 12.150 19.560 ( -5.706 10.699 0.783) 12.150 21.289 ( -2.834 -9.305 -16.924) 19.520 21.289 ( -2.834 9.305 -16.924) 19.520 23.257 ( 1.401 -5.884 -11.841) 13.296 23.257 ( 1.401 5.884 -11.841) 13.296 ======================= Grid point 395 (209/312) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.544 ( 1.621 -11.678 -1.286) 11.860 4.544 ( 1.621 11.678 -1.286) 11.860 4.838 ( -7.640 -23.424 10.473) 26.772 4.838 ( -7.640 23.424 10.473) 26.772 5.540 ( -12.165 -6.023 -2.039) 13.726 5.540 ( -12.165 6.023 -2.039) 13.726 6.649 ( -10.496 -3.732 -14.124) 17.988 6.649 ( -10.496 3.732 -14.124) 17.988 7.883 ( 2.903 -10.207 2.415) 10.884 7.883 ( 2.903 10.207 2.415) 10.884 8.225 ( 10.745 -9.774 -4.390) 15.174 8.225 ( 10.745 9.774 -4.390) 15.174 8.525 ( 11.216 -23.321 10.664) 27.989 8.525 ( 11.216 23.321 10.664) 27.989 9.740 ( 0.232 -3.279 6.105) 6.934 9.740 ( 0.232 3.279 6.105) 6.934 11.905 ( 1.955 -7.124 4.560) 8.681 11.905 ( 1.955 7.124 4.560) 8.681 12.540 ( -2.963 -9.932 19.663) 22.227 12.540 ( -2.963 9.932 19.663) 22.227 14.107 ( 9.732 -3.712 2.625) 10.742 14.107 ( 9.732 3.712 2.625) 10.742 14.804 ( 11.948 -10.157 0.109) 15.682 14.804 ( 11.948 10.157 0.109) 15.682 15.748 ( -5.509 -10.340 27.947) 30.303 15.748 ( -5.509 10.340 27.947) 30.303 17.366 ( -8.547 -18.302 2.114) 20.310 17.366 ( -8.547 18.302 2.114) 20.310 18.532 ( -4.225 -1.726 -8.015) 9.223 18.532 ( -4.225 1.726 -8.015) 9.223 19.444 ( -6.269 -17.621 3.064) 18.952 19.444 ( -6.269 17.621 3.064) 18.952 21.197 ( -0.631 -8.756 -13.188) 15.843 21.197 ( -0.631 8.756 -13.188) 15.843 23.209 ( -1.515 -9.614 -13.884) 16.956 23.209 ( -1.515 9.614 -13.884) 16.956 ======================= Grid point 397 (210/312) ======================= q-point: ( 0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.452 ( -9.249 -6.415 -7.956) 13.784 4.452 ( -9.249 6.415 -7.956) 13.784 4.768 ( -2.223 -14.616 8.507) 17.057 4.768 ( -2.223 14.616 8.507) 17.057 5.352 ( -6.116 -9.649 2.308) 11.655 5.352 ( -6.116 9.649 2.308) 11.655 6.356 ( -11.666 -1.670 -17.755) 21.311 6.356 ( -11.666 1.670 -17.755) 21.311 7.864 ( -2.924 -14.814 0.835) 15.123 7.864 ( -2.924 14.814 0.835) 15.123 8.396 ( 6.847 -8.758 -2.167) 11.326 8.396 ( 6.847 8.758 -2.167) 11.326 8.919 ( 20.110 -17.033 13.409) 29.569 8.919 ( 20.110 17.033 13.409) 29.569 9.765 ( 0.126 -3.693 5.379) 6.526 9.765 ( 0.126 3.693 5.379) 6.526 11.989 ( 4.100 -5.293 7.576) 10.111 11.989 ( 4.100 5.293 7.576) 10.111 12.599 ( 2.139 -8.078 17.559) 19.446 12.599 ( 2.139 8.078 17.559) 19.446 14.258 ( 4.306 -7.193 3.678) 9.155 14.258 ( 4.306 7.193 3.678) 9.155 15.117 ( 16.365 -9.215 9.196) 20.912 15.117 ( 16.365 9.215 9.196) 20.912 15.721 ( -5.600 -13.202 23.037) 27.136 15.721 ( -5.600 13.202 23.037) 27.136 17.173 ( -10.587 -15.177 -2.147) 18.629 17.173 ( -10.587 15.177 -2.147) 18.629 18.376 ( -7.501 -5.668 -8.018) 12.356 18.376 ( -7.501 5.668 -8.018) 12.356 19.320 ( -7.497 -21.293 2.409) 22.702 19.320 ( -7.497 21.293 2.409) 22.702 21.187 ( 3.587 -12.384 -7.714) 15.025 21.187 ( 3.587 12.384 -7.714) 15.025 23.107 ( -3.152 -11.823 -16.583) 20.609 23.107 ( -3.152 11.823 -16.583) 20.609 ======================= Grid point 399 (211/312) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.203 ( -11.553 -5.226 -4.440) 13.435 4.203 ( -11.553 5.226 -4.440) 13.435 4.779 ( 2.018 -11.577 -0.335) 11.756 4.779 ( 2.018 11.577 -0.335) 11.756 5.274 ( -4.580 -7.174 2.321) 8.822 5.274 ( -4.580 7.174 2.321) 8.822 6.118 ( -4.670 -6.212 -16.098) 17.876 6.118 ( -4.670 6.212 -16.098) 17.876 7.798 ( -4.117 -17.377 2.784) 18.074 7.798 ( -4.117 17.377 2.784) 18.074 8.497 ( 3.909 -12.119 -1.090) 12.781 8.497 ( 3.909 12.119 -1.090) 12.781 9.320 ( 14.338 -9.199 9.160) 19.342 9.320 ( 14.338 9.199 9.160) 19.342 9.785 ( 0.026 -4.579 6.626) 8.055 9.785 ( 0.026 4.579 6.626) 8.055 12.092 ( 1.802 -6.108 12.621) 14.137 12.092 ( 1.802 6.108 12.621) 14.137 12.750 ( 7.583 -4.447 12.408) 15.206 12.750 ( 7.583 4.447 12.408) 15.206 14.330 ( 2.095 -11.580 3.774) 12.358 14.330 ( 2.095 11.580 3.774) 12.358 15.337 ( -7.868 -18.189 34.051) 39.398 15.337 ( -7.868 18.189 34.051) 39.398 15.821 ( 15.830 -9.412 2.375) 18.569 15.821 ( 15.830 9.412 2.375) 18.569 16.930 ( -12.464 -12.930 -3.860) 18.370 16.930 ( -12.464 12.930 -3.860) 18.370 18.218 ( -4.757 -8.586 -6.814) 11.949 18.218 ( -4.757 8.586 -6.814) 11.949 19.159 ( -8.316 -22.375 -1.225) 23.902 19.159 ( -8.316 22.375 -1.225) 23.902 21.285 ( 7.568 -16.539 -1.935) 18.291 21.285 ( 7.568 16.539 -1.935) 18.291 22.977 ( -3.209 -12.487 -19.627) 23.483 22.977 ( -3.209 12.487 -19.627) 23.483 ======================= Grid point 401 (212/312) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( -5.426 -1.570 -2.959) 6.376 4.010 ( -5.426 1.570 -2.959) 6.376 4.865 ( 6.814 -5.484 -1.642) 8.900 4.865 ( 6.814 5.484 -1.641) 8.900 5.132 ( -9.213 -7.285 -1.126) 11.800 5.132 ( -9.213 7.285 -1.126) 11.800 6.081 ( 5.301 -12.836 -13.011) 19.030 6.081 ( 5.301 12.836 -13.011) 19.030 7.722 ( -4.892 -17.618 5.256) 19.025 7.722 ( -4.892 17.618 5.256) 19.025 8.546 ( 1.464 -14.825 -1.226) 14.947 8.546 ( 1.464 14.825 -1.226) 14.947 9.504 ( 1.759 -4.636 1.962) 5.333 9.504 ( 1.759 4.636 1.962) 5.333 9.834 ( 1.757 -6.588 10.514) 12.531 9.834 ( 1.757 6.588 10.514) 12.531 12.133 ( -2.645 -8.995 15.671) 18.262 12.133 ( -2.645 8.995 15.671) 18.262 12.970 ( 10.295 -4.115 7.209) 13.225 12.970 ( 10.295 4.115 7.209) 13.225 14.375 ( 0.999 -12.910 2.633) 13.214 14.375 ( 0.999 12.910 2.633) 13.214 15.130 ( -21.878 -19.789 36.485) 46.919 15.130 ( -21.878 19.789 36.485) 46.919 16.238 ( 19.443 -7.573 1.390) 20.912 16.238 ( 19.443 7.573 1.390) 20.912 16.669 ( -10.642 -15.246 -0.445) 18.598 16.669 ( -10.642 15.246 -0.445) 18.598 18.161 ( 1.506 -9.018 -5.782) 10.818 18.161 ( 1.506 9.018 -5.782) 10.818 19.004 ( -5.449 -21.694 -4.478) 22.811 19.004 ( -5.449 21.694 -4.478) 22.811 21.458 ( 9.107 -19.700 1.838) 21.781 21.458 ( 9.107 19.700 1.838) 21.781 22.853 ( -1.331 -11.628 -22.282) 25.168 22.853 ( -1.331 11.628 -22.282) 25.168 ======================= Grid point 403 (213/312) ======================= q-point: (-0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( 4.174 -10.007 -2.073) 11.039 3.987 ( 4.174 10.007 -2.073) 11.039 4.860 ( -10.834 -10.106 4.054) 15.360 4.860 ( -10.834 10.106 4.054) 15.360 5.112 ( 11.750 -4.862 -4.214) 13.396 5.112 ( 11.750 4.862 -4.214) 13.396 6.183 ( 8.336 -15.776 -13.701) 22.497 6.183 ( 8.336 15.776 -13.701) 22.497 7.638 ( -5.873 -14.761 7.709) 17.658 7.638 ( -5.873 14.761 7.709) 17.658 8.553 ( 0.033 -16.319 -2.264) 16.475 8.553 ( 0.033 16.319 -2.264) 16.475 9.458 ( -5.298 -6.818 0.311) 8.640 9.458 ( -5.298 6.818 0.311) 8.640 9.874 ( -2.477 -8.792 9.891) 13.463 9.874 ( -2.477 8.792 9.891) 13.463 12.103 ( -5.779 -9.709 16.281) 19.817 12.103 ( -5.779 9.709 16.281) 19.817 13.192 ( 9.841 -4.530 2.826) 11.196 13.192 ( 9.841 4.530 2.826) 11.196 14.355 ( -4.603 -9.558 -1.820) 10.763 14.355 ( -4.603 9.558 -1.820) 10.763 14.788 ( -22.996 -14.250 34.336) 43.714 14.788 ( -22.996 14.250 34.336) 43.714 16.264 ( -12.141 -1.532 0.261) 12.240 16.264 ( -12.141 1.532 0.261) 12.240 16.800 ( 16.665 -15.147 11.295) 25.194 16.800 ( 16.665 15.147 11.295) 25.194 18.227 ( 6.528 -6.047 -7.187) 11.438 18.227 ( 6.528 6.047 -7.187) 11.438 18.941 ( 1.635 -17.618 -4.769) 18.325 18.941 ( 1.635 17.618 -4.769) 18.325 21.634 ( 7.128 -21.493 1.398) 22.688 21.634 ( 7.128 21.493 1.398) 22.688 22.785 ( 2.915 -9.497 -22.671) 24.752 22.785 ( 2.915 9.497 -22.671) 24.752 ======================= Grid point 405 (214/312) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.148 ( 11.361 -18.035 -0.896) 21.334 4.148 ( 11.361 18.035 -0.896) 21.334 4.663 ( -9.471 -14.666 9.163) 19.717 4.663 ( -9.471 14.666 9.163) 19.717 5.380 ( 14.900 -10.670 -3.040) 18.577 5.380 ( 14.900 10.670 -3.040) 18.577 6.293 ( 7.637 -17.573 -15.077) 24.381 6.293 ( 7.637 17.573 -15.077) 24.381 7.536 ( -7.236 -8.703 8.416) 14.104 7.536 ( -7.236 8.703 8.416) 14.104 8.531 ( -1.463 -16.834 -3.482) 17.252 8.531 ( -1.463 16.834 -3.482) 17.252 9.330 ( -7.186 -6.345 0.799) 9.619 9.330 ( -7.186 6.345 0.799) 9.619 9.801 ( -7.429 -9.129 9.221) 14.952 9.801 ( -7.429 9.129 9.221) 14.952 12.024 ( -7.448 -8.765 14.737) 18.694 12.024 ( -7.448 8.765 14.737) 18.694 13.377 ( 7.756 -4.036 0.392) 8.752 13.377 ( 7.756 4.036 0.392) 8.752 14.116 ( -18.702 -14.907 2.327) 24.029 14.116 ( -18.702 14.907 2.327) 24.029 14.531 ( -11.749 -9.677 19.233) 24.527 14.531 ( -11.749 9.677 19.233) 24.527 16.029 ( -11.781 -6.308 9.740) 16.537 16.029 ( -11.781 6.308 9.740) 16.537 17.145 ( 11.848 -16.345 16.226) 25.900 17.145 ( 11.848 16.345 16.226) 25.900 18.325 ( 5.899 -2.809 -12.740) 14.317 18.325 ( 5.899 2.809 -12.740) 14.317 19.060 ( 11.136 -9.879 -1.105) 14.928 19.060 ( 11.136 9.879 -1.105) 14.928 21.723 ( 2.015 -22.244 -4.990) 22.886 21.723 ( 2.015 22.244 -4.990) 22.886 22.825 ( 8.359 -8.072 -18.639) 21.964 22.825 ( 8.359 8.072 -18.639) 21.964 ======================= Grid point 407 (215/312) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( 4.103 -17.498 2.765) 18.184 4.341 ( 4.103 17.498 2.765) 18.184 4.619 ( 3.357 -15.321 13.963) 20.999 4.619 ( 3.357 15.321 13.963) 20.999 5.654 ( 13.143 -13.219 -4.525) 19.182 5.654 ( 13.143 13.219 -4.525) 19.182 6.401 ( 8.922 -18.047 -13.237) 24.094 6.401 ( 8.922 18.047 -13.237) 24.094 7.409 ( -7.812 -3.348 6.660) 10.797 7.409 ( -7.812 3.348 6.660) 10.797 8.457 ( -4.772 -15.795 -3.955) 16.967 8.457 ( -4.772 15.795 -3.955) 16.967 9.167 ( -10.027 -2.974 0.224) 10.462 9.167 ( -10.027 2.974 0.224) 10.462 9.696 ( -4.986 -8.738 10.270) 14.376 9.696 ( -4.986 8.738 10.270) 14.376 11.917 ( -7.578 -7.257 12.301) 16.168 11.917 ( -7.578 7.257 12.301) 16.168 13.463 ( -2.768 -4.992 0.038) 5.708 13.463 ( -2.768 4.992 0.038) 5.708 13.743 ( -15.652 -10.451 8.791) 20.773 13.743 ( -15.652 10.451 8.791) 20.773 14.417 ( -3.418 -11.484 1.437) 12.067 14.417 ( -3.418 11.484 1.437) 12.067 15.873 ( -9.098 -8.165 19.578) 23.081 15.873 ( -9.098 8.165 19.578) 23.081 17.383 ( 5.684 -19.036 20.165) 28.307 17.383 ( 5.684 19.036 20.165) 28.307 18.376 ( 5.006 -5.192 -17.202) 18.653 18.376 ( 5.006 5.192 -17.202) 18.653 19.327 ( 13.692 -5.821 1.417) 14.945 19.327 ( 13.692 5.821 1.417) 14.945 21.684 ( -2.290 -21.534 -13.194) 25.358 21.684 ( -2.290 21.534 -13.194) 25.358 22.968 ( 10.679 -7.012 -13.416) 18.526 22.968 ( 10.679 7.012 -13.416) 18.526 ======================= Grid point 409 (216/312) ======================= q-point: (-0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( -1.130 -18.197 10.585) 21.082 4.367 ( -1.130 18.197 10.585) 21.082 4.807 ( 6.851 -25.750 12.806) 29.563 4.807 ( 6.851 25.750 12.806) 29.563 5.863 ( 9.875 -8.410 -9.137) 15.866 5.863 ( 9.875 8.410 -9.137) 15.866 6.576 ( 11.869 -12.044 -7.180) 18.371 6.576 ( 11.869 12.044 -7.180) 18.371 7.291 ( -5.005 -6.120 4.935) 9.320 7.291 ( -5.005 6.120 4.935) 9.320 8.327 ( -6.123 -13.268 -3.536) 15.034 8.327 ( -6.123 13.268 -3.536) 15.034 8.919 ( -14.023 -6.479 -1.363) 15.507 8.919 ( -14.023 6.479 -1.363) 15.507 9.686 ( -0.474 -9.200 9.692) 13.372 9.686 ( -0.474 9.200 9.692) 13.372 11.829 ( -4.791 -6.067 11.646) 13.978 11.829 ( -4.791 6.067 11.646) 13.978 13.183 ( -19.817 -11.268 4.929) 23.324 13.183 ( -19.817 11.268 4.929) 23.324 13.670 ( 0.525 -3.069 5.640) 6.442 13.670 ( 0.525 3.069 5.640) 6.442 14.413 ( 3.889 -13.003 -6.797) 15.179 14.413 ( 3.889 13.003 -6.797) 15.179 15.791 ( -7.304 -6.191 26.025) 27.730 15.791 ( -7.304 6.191 26.025) 27.730 17.518 ( 0.649 -21.131 20.392) 29.373 17.518 ( 0.649 21.131 20.392) 29.373 18.425 ( 6.222 -3.966 -16.748) 18.302 18.425 ( 6.222 3.966 -16.748) 18.302 19.558 ( 7.877 -4.845 1.157) 9.319 19.558 ( 7.877 4.845 1.157) 9.319 21.562 ( -3.881 -18.874 -18.017) 26.380 21.562 ( -3.881 18.874 -18.017) 26.380 23.127 ( 8.881 -3.767 -10.890) 14.548 23.127 ( 8.881 3.767 -10.890) 14.548 ======================= Grid point 451 (217/312) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 0.168 0.000 34.289) 34.290 2.939 ( 10.151 0.000 32.364) 33.918 4.181 ( 2.105 0.000 -24.377) 24.467 4.261 ( -3.311 0.000 -29.166) 29.353 5.822 ( -6.127 0.000 22.601) 23.417 6.159 ( -1.002 0.000 41.613) 41.626 6.160 ( -0.358 0.000 -5.690) 5.701 6.457 ( -4.408 0.000 31.572) 31.879 7.052 ( 0.805 0.000 -11.510) 11.538 8.041 ( 4.806 0.000 16.630) 17.310 8.316 ( 1.039 0.000 -40.352) 40.365 8.621 ( 0.641 0.000 -9.720) 9.741 8.806 ( -3.545 0.000 17.205) 17.567 9.310 ( -4.422 0.000 1.477) 4.662 9.657 ( 9.177 0.000 0.559) 9.194 9.820 ( -8.098 0.000 -5.649) 9.873 12.057 ( 8.995 0.000 10.067) 13.500 12.322 ( 19.346 0.000 21.067) 28.602 12.503 ( -17.779 0.000 -13.924) 22.582 12.972 ( 9.304 0.000 3.294) 9.870 13.112 ( -3.312 0.000 -0.665) 3.378 13.450 ( 0.663 0.000 -24.486) 24.495 13.878 ( 9.195 0.000 2.505) 9.530 14.000 ( -30.235 0.000 -5.751) 30.777 14.700 ( -18.015 0.000 7.882) 19.664 14.749 ( 22.867 0.000 2.266) 22.979 15.972 ( -16.755 0.000 42.673) 45.844 17.776 ( 12.894 0.000 -42.285) 44.208 18.337 ( 0.883 0.000 13.364) 13.393 18.713 ( 1.461 0.000 -3.956) 4.217 20.473 ( -8.877 0.000 -2.535) 9.232 20.506 ( 20.255 0.000 -4.547) 20.759 21.619 ( -7.903 0.000 12.278) 14.601 22.214 ( 1.200 0.000 -17.069) 17.111 22.788 ( -18.596 0.000 12.863) 22.611 23.278 ( 13.555 0.000 -11.174) 17.567 ======================= Grid point 452 (218/312) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 13.598 0.000 29.038) 32.064 3.326 ( 16.717 0.000 24.098) 29.329 4.188 ( 7.907 0.000 -24.789) 26.019 4.223 ( 9.482 0.000 -27.427) 29.020 5.781 ( -4.450 0.000 14.290) 14.967 6.085 ( -5.659 0.000 -3.108) 6.457 6.276 ( -1.774 0.000 39.495) 39.535 6.590 ( 5.421 0.000 42.679) 43.022 7.035 ( 0.676 0.000 -11.951) 11.970 8.047 ( -7.338 0.000 -3.825) 8.276 8.251 ( 5.583 0.000 -22.437) 23.121 8.506 ( -7.797 0.000 -14.902) 16.819 8.833 ( -0.846 0.000 18.622) 18.641 9.280 ( -0.455 0.000 1.312) 1.388 9.671 ( -3.782 0.000 -4.938) 6.220 9.777 ( 2.491 0.000 2.910) 3.830 12.147 ( -12.514 0.000 -11.669) 17.110 12.266 ( 6.531 0.000 16.547) 17.789 12.796 ( 13.445 0.000 8.345) 15.824 12.976 ( 0.232 0.000 -1.540) 1.558 13.177 ( 9.283 0.000 -8.704) 12.725 13.259 ( -14.632 0.000 -21.299) 25.841 13.607 ( -2.362 0.000 1.589) 2.846 14.156 ( -1.279 0.000 13.282) 13.343 14.479 ( 9.725 0.000 2.715) 10.097 15.201 ( 21.288 0.000 1.713) 21.356 15.811 ( -15.418 0.000 47.288) 49.738 17.860 ( 10.282 0.000 -42.246) 43.480 18.359 ( -3.044 0.000 11.391) 11.791 18.688 ( -2.231 0.000 -5.976) 6.379 20.072 ( -26.618 0.000 -6.008) 27.288 20.496 ( -17.602 0.000 -8.455) 19.528 21.766 ( 16.930 0.000 12.894) 21.281 22.300 ( 10.333 0.000 -13.805) 17.243 22.511 ( -13.484 0.000 15.454) 20.510 23.513 ( 13.136 0.000 -9.591) 16.265 ======================= Grid point 453 (219/312) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( 18.849 0.000 13.740) 23.326 3.725 ( 15.774 0.000 14.356) 21.329 4.361 ( 16.642 0.000 -11.636) 20.307 4.432 ( 18.659 0.000 -20.203) 27.502 5.752 ( -2.332 0.000 10.293) 10.554 5.916 ( -10.404 0.000 0.335) 10.409 6.380 ( -0.351 0.000 33.772) 33.774 6.944 ( -6.400 0.000 -13.617) 15.046 6.955 ( 14.604 0.000 43.462) 45.850 7.873 ( -8.185 0.000 1.067) 8.255 8.223 ( -14.714 0.000 -14.415) 20.599 8.273 ( 3.437 0.000 -19.719) 20.016 8.879 ( 0.386 0.000 8.279) 8.288 9.216 ( -6.648 0.000 -8.650) 10.910 9.670 ( 4.907 0.000 -0.572) 4.940 9.813 ( -0.288 0.000 11.385) 11.389 11.937 ( -4.818 0.000 -7.635) 9.027 12.419 ( 2.707 0.000 14.421) 14.672 12.627 ( -14.520 0.000 3.891) 15.032 12.890 ( -11.579 0.000 -17.428) 20.924 13.236 ( 2.109 0.000 -18.458) 18.578 13.383 ( 19.117 0.000 5.140) 19.796 13.795 ( 14.934 0.000 7.587) 16.751 13.924 ( -11.073 0.000 3.240) 11.537 15.072 ( 34.311 0.000 13.732) 36.957 15.603 ( 18.220 0.000 0.961) 18.246 15.682 ( -14.064 0.000 47.766) 49.793 17.890 ( 6.887 0.000 -38.733) 39.341 18.299 ( -5.934 0.000 6.699) 8.949 18.581 ( -6.034 0.000 -7.770) 9.837 19.464 ( -29.933 0.000 -7.847) 30.944 19.964 ( -28.772 0.000 -9.330) 30.247 22.105 ( 3.242 0.000 14.677) 15.030 22.442 ( 7.602 0.000 12.306) 14.465 22.461 ( 9.634 0.000 -13.042) 16.214 23.718 ( 10.077 0.000 -8.229) 13.010 ======================= Grid point 454 (220/312) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.961 ( 20.412 0.000 -1.708) 20.483 4.066 ( 14.938 0.000 8.042) 16.966 4.742 ( 14.347 0.000 -7.488) 16.184 4.753 ( 20.573 0.000 5.548) 21.308 5.707 ( -9.421 0.000 5.488) 10.903 5.793 ( 4.608 0.000 4.774) 6.635 6.508 ( 2.660 0.000 27.909) 28.036 6.674 ( -15.635 0.000 -10.281) 18.713 7.409 ( 14.616 0.000 26.515) 30.277 7.711 ( -11.007 0.000 11.055) 15.600 7.859 ( -15.545 0.000 -2.224) 15.703 8.264 ( 3.642 0.000 -24.776) 25.042 8.918 ( 3.480 0.000 -4.537) 5.717 8.924 ( -17.766 0.000 -15.330) 23.466 9.834 ( 9.654 0.000 3.334) 10.213 9.864 ( 0.280 0.000 16.343) 16.345 11.905 ( 3.333 0.000 -1.971) 3.872 12.295 ( -14.636 0.000 1.653) 14.729 12.544 ( -0.423 0.000 18.820) 18.825 12.706 ( -0.976 0.000 -15.880) 15.910 13.190 ( 0.462 0.000 -18.361) 18.367 13.408 ( -13.435 0.000 5.846) 14.651 14.057 ( 17.936 0.000 0.629) 17.947 14.147 ( 16.313 0.000 5.837) 17.326 15.572 ( -10.157 0.000 40.991) 42.231 15.826 ( 31.203 0.000 21.343) 37.804 15.939 ( 15.090 0.000 1.372) 15.152 17.858 ( 1.209 0.000 -27.191) 27.218 18.176 ( -6.588 0.000 -5.259) 8.430 18.402 ( -8.567 0.000 -7.910) 11.661 18.877 ( -24.231 0.000 -8.267) 25.602 19.352 ( -27.250 0.000 -14.519) 30.877 22.059 ( -8.063 0.000 19.125) 20.755 22.582 ( 7.148 0.000 -13.567) 15.335 22.794 ( 17.790 0.000 8.526) 19.728 23.845 ( 5.265 0.000 -8.112) 9.671 ======================= Grid point 455 (221/312) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.392 ( 23.609 0.000 -2.264) 23.717 4.396 ( 15.753 0.000 5.578) 16.711 4.870 ( -2.108 0.000 7.189) 7.492 4.973 ( -4.869 0.000 2.661) 5.549 5.741 ( 9.505 0.000 13.724) 16.694 5.938 ( 6.749 0.000 -4.400) 8.056 6.309 ( -15.336 0.000 3.601) 15.754 6.711 ( 10.979 0.000 15.241) 18.784 7.349 ( -16.580 0.000 3.573) 16.960 7.505 ( -12.074 0.000 6.486) 13.706 7.937 ( 9.976 0.000 13.969) 17.165 8.230 ( 0.690 0.000 -22.039) 22.049 8.452 ( -21.688 0.000 -6.859) 22.746 8.995 ( 7.000 0.000 -12.651) 14.459 9.926 ( 0.005 0.000 15.530) 15.530 10.033 ( 8.458 0.000 1.895) 8.668 12.023 ( -13.398 0.000 6.776) 15.014 12.053 ( 11.040 0.000 2.735) 11.373 12.574 ( -3.051 0.000 14.002) 14.331 12.710 ( 5.979 0.000 -18.481) 19.424 13.138 ( -13.941 0.000 5.725) 15.071 13.152 ( 2.050 0.000 -12.229) 12.400 14.374 ( 11.460 0.000 2.430) 11.715 14.439 ( 10.566 0.000 1.223) 10.636 15.518 ( -9.037 0.000 40.066) 41.073 16.224 ( 12.329 0.000 4.440) 13.105 16.480 ( 25.248 0.000 20.953) 32.810 17.736 ( -6.795 0.000 -9.506) 11.685 17.974 ( -10.097 0.000 -19.127) 21.628 18.216 ( -6.771 0.000 -4.586) 8.178 18.526 ( -5.112 0.000 -12.100) 13.136 18.796 ( -20.981 0.000 -23.584) 31.566 21.983 ( -6.291 0.000 21.016) 21.937 22.655 ( 5.081 0.000 -14.192) 15.074 23.142 ( 13.677 0.000 7.960) 15.824 23.867 ( -0.119 0.000 -9.294) 9.295 ======================= Grid point 456 (222/312) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.661 ( -7.668 0.000 7.013) 10.392 4.698 ( -17.935 0.000 6.372) 19.033 4.783 ( 6.573 0.000 7.778) 10.183 4.893 ( 23.732 0.000 -2.859) 23.903 5.629 ( -21.666 0.000 3.888) 22.012 5.936 ( -4.518 0.000 -5.173) 6.868 6.499 ( 23.382 0.000 27.159) 35.838 6.948 ( -2.677 0.000 11.428) 11.737 7.196 ( 5.529 0.000 10.754) 12.092 7.301 ( -8.515 0.000 -1.654) 8.674 7.723 ( -19.985 0.000 -19.203) 27.715 8.126 ( -4.108 0.000 -17.683) 18.154 8.399 ( 6.878 0.000 20.100) 21.244 9.093 ( 7.475 0.000 -17.014) 18.584 9.967 ( -0.959 0.000 12.661) 12.697 10.169 ( 4.976 0.000 -1.589) 5.223 11.817 ( -10.267 0.000 11.255) 15.234 12.341 ( 15.757 0.000 1.892) 15.870 12.494 ( -8.824 0.000 5.851) 10.588 12.758 ( 5.110 0.000 -19.863) 20.510 12.928 ( -8.852 0.000 8.235) 12.090 13.218 ( 7.716 0.000 -5.324) 9.375 14.521 ( 2.379 0.000 3.868) 4.541 14.548 ( 0.315 0.000 -3.604) 3.618 15.475 ( -9.295 0.000 36.637) 37.798 16.439 ( 5.166 0.000 9.606) 10.907 16.944 ( 11.677 0.000 24.098) 26.778 17.550 ( -7.052 0.000 -10.306) 12.488 17.693 ( -9.511 0.000 -13.150) 16.229 18.134 ( -0.802 0.000 1.841) 2.008 18.390 ( -7.242 0.000 -33.831) 34.598 18.572 ( 13.295 0.000 -17.861) 22.266 21.953 ( -4.426 0.000 21.746) 22.192 22.693 ( 4.034 0.000 -14.600) 15.147 23.393 ( 8.565 0.000 7.610) 11.458 23.774 ( -5.594 0.000 -11.134) 12.460 ======================= Grid point 457 (223/312) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.231 ( -30.090 0.000 5.372) 30.566 4.281 ( -25.179 0.000 9.642) 26.962 5.078 ( 13.695 0.000 2.568) 13.934 5.090 ( -17.127 0.000 -5.209) 17.902 5.454 ( 16.415 0.000 10.742) 19.618 5.816 ( -6.472 0.000 9.621) 11.595 6.740 ( -19.223 0.000 -9.709) 21.536 7.014 ( -21.336 0.000 25.718) 33.416 7.099 ( 23.779 0.000 28.494) 37.113 7.175 ( -1.606 0.000 -7.068) 7.248 7.808 ( 24.782 0.000 -7.499) 25.892 7.953 ( -7.012 0.000 -13.788) 15.469 8.577 ( 4.974 0.000 11.898) 12.896 9.157 ( 5.195 0.000 -20.590) 21.235 9.967 ( -3.162 0.000 9.080) 9.615 10.224 ( 1.577 0.000 -3.865) 4.174 11.687 ( -7.572 0.000 15.138) 16.927 12.282 ( -12.155 0.000 -0.274) 12.158 12.596 ( 8.261 0.000 -14.946) 17.077 12.842 ( -3.156 0.000 8.618) 9.178 12.855 ( 12.174 0.000 -2.054) 12.346 13.389 ( 10.190 0.000 -5.449) 11.555 14.424 ( -10.756 0.000 -6.273) 12.452 14.511 ( -4.095 0.000 1.867) 4.501 15.395 ( -11.163 0.000 35.702) 37.407 16.408 ( -13.290 0.000 11.064) 17.293 17.049 ( -9.137 0.000 20.071) 22.053 17.417 ( 1.890 0.000 -34.449) 34.500 17.602 ( 2.186 0.000 9.948) 10.185 18.179 ( 6.880 0.000 -4.410) 8.172 18.371 ( 13.877 0.000 -19.714) 24.109 18.889 ( 23.617 0.000 -15.689) 28.353 21.949 ( -3.657 0.000 20.876) 21.194 22.724 ( 4.480 0.000 -14.750) 15.415 23.536 ( 2.989 0.000 6.979) 7.592 23.565 ( -11.000 0.000 -12.975) 17.010 ======================= Grid point 458 (224/312) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( -34.099 0.000 8.491) 35.140 3.773 ( -29.691 0.000 17.826) 34.632 4.709 ( -15.922 0.000 -5.466) 16.834 5.250 ( 0.805 0.000 -6.920) 6.967 5.776 ( -3.003 0.000 25.271) 25.448 5.828 ( 15.057 0.000 3.163) 15.385 6.226 ( -20.882 0.000 -11.258) 23.724 6.801 ( -14.741 0.000 36.754) 39.599 7.152 ( 1.857 0.000 -5.343) 5.656 7.612 ( 13.739 0.000 14.890) 20.260 7.813 ( 1.207 0.000 -0.098) 1.211 8.258 ( 19.630 0.000 -7.549) 21.032 8.727 ( 9.060 0.000 6.048) 10.894 9.145 ( 1.282 0.000 -24.121) 24.155 9.889 ( -7.487 0.000 5.160) 9.093 10.210 ( -1.363 0.000 -4.525) 4.726 11.624 ( -4.292 0.000 18.894) 19.375 12.051 ( -9.863 0.000 -0.817) 9.897 12.628 ( 2.947 0.000 -14.133) 14.436 12.851 ( 1.365 0.000 6.289) 6.436 13.155 ( 14.993 0.000 -4.241) 15.582 13.577 ( 10.967 0.000 -3.859) 11.627 14.095 ( -18.799 0.000 -7.451) 20.222 14.374 ( -9.257 0.000 -3.159) 9.781 15.293 ( -11.358 0.000 35.140) 36.930 16.015 ( -27.226 0.000 4.863) 27.657 16.810 ( -18.049 0.000 13.616) 22.609 17.401 ( 9.176 0.000 -37.624) 38.726 17.788 ( 9.918 0.000 13.745) 16.950 18.358 ( 10.310 0.000 -2.598) 10.633 18.726 ( 25.005 0.000 -6.622) 25.867 19.378 ( 29.028 0.000 -10.834) 30.984 21.943 ( -4.084 0.000 18.450) 18.897 22.779 ( 6.439 0.000 -14.768) 16.111 23.246 ( -15.819 0.000 -14.380) 21.378 23.554 ( -3.741 0.000 6.103) 7.159 ======================= Grid point 459 (225/312) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -25.788 0.000 20.629) 33.023 3.264 ( -27.397 0.000 25.995) 37.767 4.432 ( -8.856 0.000 -11.379) 14.419 4.992 ( -17.845 0.000 -22.712) 28.884 5.871 ( -1.722 0.000 42.359) 42.394 5.958 ( -4.928 0.000 2.018) 5.325 6.055 ( 7.987 0.000 -3.187) 8.600 6.638 ( -13.573 0.000 32.614) 35.326 7.155 ( -0.259 0.000 -8.178) 8.182 7.696 ( 3.896 0.000 1.913) 4.341 8.103 ( 13.413 0.000 15.042) 20.153 8.488 ( 7.250 0.000 -5.272) 8.964 9.031 ( 18.506 0.000 -0.233) 18.507 9.041 ( -2.989 0.000 -23.704) 23.892 9.705 ( -11.634 0.000 2.573) 11.915 10.137 ( -4.403 0.000 -4.765) 6.488 11.671 ( 2.752 0.000 19.630) 19.822 11.911 ( -4.241 0.000 5.566) 6.998 12.658 ( 4.075 0.000 -6.923) 8.033 12.935 ( 4.920 0.000 4.261) 6.509 13.303 ( 0.027 0.000 -15.202) 15.202 13.680 ( -15.912 0.000 -8.283) 17.939 13.861 ( 17.805 0.000 1.055) 17.836 14.137 ( -11.722 0.000 -7.209) 13.762 15.178 ( -12.051 0.000 29.532) 31.896 15.402 ( -33.458 0.000 -2.200) 33.531 16.485 ( -19.285 0.000 19.017) 27.084 17.501 ( 13.601 0.000 -38.838) 41.150 18.035 ( 8.931 0.000 14.360) 16.911 18.537 ( 8.015 0.000 -1.718) 8.197 19.285 ( 31.218 0.000 -0.414) 31.221 19.933 ( 28.084 0.000 -6.091) 28.737 21.904 ( -6.079 0.000 15.004) 16.188 22.819 ( -12.379 0.000 -19.950) 23.478 22.909 ( 3.096 0.000 -10.220) 10.679 23.420 ( -11.840 0.000 6.012) 13.279 ======================= Grid point 460 (226/312) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -6.969 0.000 32.162) 32.909 2.917 ( -16.225 0.000 32.328) 36.171 4.264 ( -2.938 0.000 -18.303) 18.537 4.549 ( -14.820 0.000 -27.703) 31.418 5.867 ( -7.899 0.000 31.790) 32.756 6.032 ( 1.614 0.000 27.685) 27.732 6.149 ( 3.476 0.000 -6.215) 7.121 6.504 ( -10.310 0.000 29.718) 31.456 7.097 ( -1.185 0.000 -11.200) 11.263 7.851 ( 7.931 0.000 11.214) 13.735 8.331 ( 7.097 0.000 -7.430) 10.274 8.583 ( 4.706 0.000 -5.502) 7.240 8.885 ( -5.598 0.000 -8.866) 10.486 9.373 ( 12.890 0.000 -7.174) 14.752 9.492 ( -7.416 0.000 7.085) 10.257 10.000 ( -7.364 0.000 -5.281) 9.062 11.857 ( 9.826 0.000 1.988) 10.025 11.961 ( 5.352 0.000 29.262) 29.747 12.740 ( 4.716 0.000 -5.146) 6.980 13.008 ( -18.406 0.000 -7.288) 19.796 13.063 ( 5.705 0.000 3.225) 6.553 13.509 ( 0.443 0.000 -20.245) 20.250 13.899 ( -7.878 0.000 -7.184) 10.662 14.278 ( 21.658 0.000 3.821) 21.993 14.695 ( -34.354 0.000 -7.270) 35.114 14.993 ( -15.236 0.000 18.543) 24.000 16.193 ( -18.474 0.000 31.632) 36.632 17.647 ( 14.412 0.000 -40.757) 43.230 18.228 ( 5.141 0.000 14.227) 15.127 18.660 ( 4.884 0.000 -2.389) 5.437 19.937 ( 32.689 0.000 0.489) 32.693 20.390 ( 16.542 0.000 -2.363) 16.710 21.792 ( -10.057 0.000 11.752) 15.468 22.422 ( -14.413 0.000 -18.676) 23.591 23.062 ( 11.824 0.000 -12.079) 16.903 23.134 ( -18.470 0.000 8.486) 20.327 ======================= Grid point 461 (227/312) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -2.534 14.533 31.773) 35.031 3.160 ( 11.131 18.645 28.914) 36.160 4.272 ( 7.051 10.016 -23.763) 26.734 4.401 ( -7.891 12.053 -26.693) 30.333 5.815 ( -6.515 -0.607 18.354) 19.486 6.047 ( -0.099 -5.638 10.746) 12.136 6.276 ( 0.980 6.245 25.510) 26.281 6.508 ( -2.934 5.364 29.544) 30.170 7.123 ( 0.707 6.251 -11.424) 13.042 7.966 ( 4.512 -7.276 16.696) 18.763 8.221 ( -4.583 -9.186 -34.497) 35.992 8.524 ( 7.759 -6.325 1.488) 10.120 8.876 ( -9.302 3.493 0.537) 9.951 9.327 ( -2.189 0.197 -3.052) 3.761 9.617 ( 4.653 -3.335 3.395) 6.655 9.837 ( -2.870 2.232 -3.996) 5.402 12.129 ( 16.562 -6.513 12.732) 21.882 12.171 ( 5.533 5.503 18.943) 20.488 12.573 ( -16.738 0.649 -8.744) 18.895 12.909 ( -3.089 -3.475 -7.939) 9.201 13.272 ( 6.142 14.306 -1.903) 15.684 13.624 ( -3.188 7.773 -13.311) 15.740 14.019 ( 15.115 18.242 1.621) 23.746 14.160 ( -23.584 14.269 -6.642) 28.354 14.638 ( 0.221 -2.494 8.536) 8.896 14.816 ( 0.284 6.452 3.657) 7.422 16.049 ( -13.860 7.617 39.027) 42.110 17.791 ( 11.506 1.275 -41.597) 43.178 18.328 ( 1.489 -0.699 13.532) 13.632 18.698 ( 1.478 -1.536 -4.037) 4.565 20.352 ( -6.238 -8.658 0.964) 10.715 20.516 ( 18.462 -2.466 -7.095) 19.932 21.524 ( -7.231 -9.045 12.155) 16.789 22.085 ( -3.977 -10.971 -13.376) 17.751 22.867 ( -14.175 6.163 6.962) 16.952 23.266 ( 13.072 -1.290 -10.518) 16.828 ======================= Grid point 462 (228/312) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 9.522 7.760 26.855) 29.531 3.529 ( 15.015 16.307 21.753) 31.057 4.233 ( 1.582 6.717 -25.186) 26.114 4.401 ( 13.177 14.165 -22.734) 29.852 5.755 ( -4.572 -1.841 11.022) 12.073 6.043 ( -3.633 -3.156 5.135) 7.037 6.361 ( -1.668 7.073 27.772) 28.707 6.667 ( 6.512 7.446 40.226) 41.425 7.104 ( 0.846 6.368 -9.447) 11.425 7.945 ( -8.043 -9.189 -5.451) 13.373 8.123 ( 3.019 -10.918 -13.136) 17.346 8.539 ( -7.616 1.176 -20.904) 22.279 8.752 ( -1.597 -7.064 18.273) 19.656 9.319 ( 1.962 1.180 -2.653) 3.505 9.647 ( -0.977 -0.267 2.731) 2.912 9.815 ( 0.410 2.799 -1.646) 3.273 12.196 ( -11.088 4.343 -7.384) 14.011 12.349 ( 4.493 0.333 21.350) 21.820 12.581 ( 11.819 -2.645 4.424) 12.894 12.756 ( -2.034 -13.570 -8.348) 16.061 13.462 ( 10.353 15.821 2.020) 19.015 13.534 ( -0.908 8.961 -17.741) 19.897 13.706 ( -14.530 19.897 -3.203) 24.845 14.352 ( -16.968 11.746 5.411) 21.335 14.497 ( 26.100 9.433 7.536) 28.757 15.132 ( 16.723 -4.544 7.606) 18.925 15.945 ( -10.353 11.883 39.440) 42.472 17.851 ( 8.815 -1.112 -40.476) 41.440 18.361 ( -2.318 0.389 10.628) 10.885 18.672 ( -2.369 -1.627 -6.382) 6.999 19.961 ( -26.789 -9.340 -4.062) 28.660 20.547 ( -14.702 3.069 -10.221) 18.166 21.675 ( 17.586 -8.922 12.945) 23.590 22.055 ( 1.406 -17.374 -2.842) 17.661 22.666 ( -6.993 8.687 3.108) 11.577 23.493 ( 12.502 -2.093 -9.276) 15.708 ======================= Grid point 463 (229/312) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 15.484 0.820 14.711) 21.374 3.882 ( 14.619 11.097 10.269) 21.031 4.299 ( 12.515 1.245 -14.630) 19.293 4.638 ( 15.746 11.900 -12.405) 23.312 5.709 ( -2.929 -2.364 5.001) 6.259 5.935 ( -8.323 1.189 5.345) 9.963 6.435 ( -0.124 4.528 26.764) 27.145 6.902 ( -0.205 2.579 3.854) 4.642 7.166 ( 9.515 13.790 25.201) 30.262 7.784 ( -6.234 -8.897 -0.859) 10.897 8.056 ( -9.459 -11.558 -7.834) 16.865 8.266 ( -6.115 -4.203 -20.668) 21.960 8.790 ( -1.144 -5.238 4.204) 6.813 9.357 ( 1.215 8.690 -2.765) 9.200 9.657 ( 2.846 -0.096 -0.630) 2.917 9.815 ( -0.974 0.205 7.051) 7.121 12.006 ( -4.690 6.192 -5.952) 9.786 12.415 ( -7.972 -12.290 5.916) 15.799 12.540 ( 2.044 7.138 7.210) 10.349 12.946 ( 2.591 0.144 2.835) 3.843 13.353 ( -2.862 18.542 -16.395) 24.916 13.535 ( 0.441 6.410 -1.474) 6.592 13.847 ( 17.302 9.585 1.450) 19.833 14.069 ( -8.484 11.924 3.113) 14.961 15.127 ( 30.056 4.165 15.527) 34.085 15.450 ( 10.333 -4.491 17.137) 20.509 15.920 ( -3.379 14.891 27.898) 31.803 17.856 ( 5.006 -3.452 -35.591) 36.107 18.310 ( -5.812 1.028 5.257) 7.904 18.564 ( -5.273 -1.598 -8.586) 10.201 19.362 ( -29.321 -8.053 -7.064) 31.216 20.058 ( -26.930 7.257 -10.119) 29.670 21.999 ( -1.437 -11.201 11.964) 16.453 22.177 ( 18.637 -15.431 5.214) 24.751 22.617 ( 2.101 5.499 -4.136) 7.195 23.683 ( 9.202 -3.607 -8.349) 12.938 ======================= Grid point 464 (230/312) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( 16.366 -4.046 1.249) 16.905 4.207 ( 15.847 6.833 3.280) 17.566 4.592 ( 16.107 -2.595 -3.514) 16.689 4.912 ( 12.893 3.671 5.954) 14.669 5.623 ( -8.723 -4.638 2.727) 10.249 5.844 ( 0.861 2.860 3.093) 4.300 6.551 ( 3.205 2.036 22.251) 22.572 6.722 ( -13.015 5.289 -7.472) 15.912 7.447 ( -3.073 2.477 15.291) 15.792 7.679 ( -7.182 -10.442 -1.274) 12.738 7.821 ( 0.083 4.528 16.115) 16.739 8.181 ( 1.501 -6.246 -17.759) 18.885 8.705 ( -6.250 -3.243 -10.347) 12.516 9.311 ( -2.944 19.381 -6.696) 20.715 9.780 ( 7.952 -4.682 2.705) 9.617 9.837 ( -0.076 -2.651 11.622) 11.920 11.976 ( 2.940 6.732 -1.041) 7.419 12.244 ( -9.337 -5.256 4.121) 11.480 12.663 ( 5.581 7.072 10.651) 13.950 12.834 ( -7.549 14.960 -2.874) 17.001 13.321 ( 1.725 12.486 -14.682) 19.350 13.422 ( -12.176 2.485 1.762) 12.552 14.099 ( 10.798 5.484 5.029) 13.113 14.258 ( 18.873 10.947 -0.084) 21.818 15.563 ( -0.810 -4.832 39.445) 39.748 15.826 ( 23.994 6.791 12.273) 27.793 16.047 ( 11.320 7.449 10.410) 17.088 17.797 ( -0.276 -6.087 -25.462) 26.180 18.139 ( -12.181 -2.655 -2.616) 12.739 18.447 ( -1.713 3.413 -10.720) 11.380 18.788 ( -23.867 -6.488 -9.965) 26.665 19.472 ( -26.497 9.874 -13.202) 31.207 21.946 ( -6.448 -11.055 17.308) 21.526 22.510 ( 10.167 -7.889 -6.000) 14.199 22.744 ( 12.500 -4.382 2.168) 13.422 23.791 ( 4.458 -5.422 -8.576) 11.083 ======================= Grid point 465 (231/312) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.212 ( 18.044 -8.206 0.926) 19.844 4.536 ( 15.358 0.226 0.163) 15.360 4.747 ( 0.410 -1.845 2.383) 3.042 5.092 ( -6.836 5.728 7.090) 11.393 5.580 ( 9.141 -13.739 13.202) 21.133 5.927 ( 4.785 -3.021 1.025) 5.751 6.381 ( -16.739 7.009 -2.660) 18.341 6.745 ( 8.876 -1.260 13.717) 16.387 7.243 ( -9.674 -0.446 -0.716) 9.710 7.439 ( -14.395 -14.536 0.575) 20.465 7.971 ( -5.599 3.228 -3.431) 7.317 8.268 ( 11.804 11.649 20.139) 26.089 8.512 ( -5.462 5.050 -20.356) 21.673 9.247 ( -0.206 19.520 -9.287) 21.617 9.866 ( -0.547 -5.025 12.409) 13.399 9.961 ( 7.793 -6.940 0.228) 10.438 12.039 ( -8.222 1.489 10.157) 13.152 12.139 ( 7.597 6.738 1.741) 10.303 12.719 ( -3.459 14.568 0.784) 14.994 12.838 ( 8.936 9.762 2.185) 13.414 13.148 ( -14.167 2.314 1.424) 14.425 13.294 ( 0.681 14.544 -11.971) 18.849 14.325 ( 7.423 0.477 8.270) 11.123 14.590 ( 13.708 11.229 -4.672) 18.326 15.611 ( -7.049 7.668 41.197) 42.493 16.173 ( 11.422 -3.297 6.879) 13.735 16.505 ( 22.980 1.462 16.832) 28.522 17.669 ( -5.563 -8.229 -12.898) 16.279 17.835 ( -14.668 -6.130 -8.549) 18.050 18.319 ( -12.742 0.277 -12.390) 17.775 18.485 ( 4.383 2.446 -15.956) 16.727 18.933 ( -21.115 11.321 -17.822) 29.860 21.892 ( -5.434 -9.061 20.678) 23.220 22.598 ( 4.482 -5.703 -13.767) 15.561 23.045 ( 13.290 -9.573 7.381) 17.965 23.798 ( -0.606 -6.943 -9.983) 12.175 ======================= Grid point 466 (232/312) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.484 ( -5.157 -13.263 8.799) 16.731 4.627 ( -0.726 -6.268 2.978) 6.978 4.789 ( -9.855 -1.633 1.326) 10.077 4.949 ( 14.129 4.068 -1.229) 14.754 5.599 ( -14.144 -1.593 10.798) 17.866 6.091 ( -6.872 11.734 -8.182) 15.870 6.284 ( 22.137 -20.101 24.351) 38.562 6.906 ( -1.388 -2.623 14.165) 14.473 7.119 ( -13.768 -19.087 -13.876) 27.321 7.249 ( 11.805 0.874 -2.927) 12.194 7.673 ( -19.926 10.492 5.520) 23.186 8.381 ( -0.966 15.435 -18.606) 24.194 8.582 ( 9.334 16.126 20.124) 27.425 9.232 ( 2.422 13.003 -13.634) 18.995 9.888 ( -1.191 -6.485 9.458) 11.530 10.085 ( 4.956 -8.045 -2.954) 9.900 11.874 ( -9.977 4.854 13.487) 17.464 12.396 ( 14.520 5.174 0.723) 15.431 12.654 ( -6.357 15.637 3.863) 17.316 12.857 ( -6.229 4.109 -4.655) 8.795 13.048 ( 3.868 13.246 1.005) 13.836 13.303 ( 5.474 11.184 -7.545) 14.559 14.424 ( -0.679 -1.155 8.623) 8.727 14.739 ( 3.135 11.660 -8.516) 14.775 15.579 ( -9.788 10.002 36.689) 39.267 16.394 ( 5.523 -4.485 12.673) 14.534 16.940 ( 11.860 -0.934 23.051) 25.940 17.491 ( -8.688 -11.393 -3.197) 14.680 17.554 ( -6.854 -3.045 -20.357) 21.694 18.120 ( -0.714 -6.666 -12.012) 13.757 18.504 ( -7.568 15.310 -21.818) 27.707 18.658 ( 11.492 5.315 -16.002) 20.405 21.872 ( -4.153 -7.962 21.886) 23.657 22.627 ( 3.814 -6.599 -15.184) 16.990 23.295 ( 8.789 -9.716 7.640) 15.167 23.697 ( -5.485 -7.690 -12.040) 15.303 ======================= Grid point 467 (233/312) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.086 ( -29.524 -10.374 5.546) 31.781 4.351 ( -20.473 4.368 11.510) 23.890 4.810 ( -5.722 -14.588 -2.327) 15.842 5.225 ( 11.939 1.213 -2.980) 12.365 5.503 ( 6.389 4.623 14.337) 16.363 5.926 ( -8.017 8.114 3.796) 12.022 6.645 ( -18.765 -10.605 -15.362) 26.469 6.797 ( 12.518 -18.708 22.028) 31.495 7.043 ( 3.222 -0.367 22.502) 22.735 7.346 ( -10.191 13.920 5.307) 18.050 7.511 ( 13.072 -13.149 -13.138) 22.724 8.347 ( 3.140 23.345 -7.564) 24.739 8.767 ( 4.148 15.187 11.850) 19.705 9.233 ( 2.607 7.380 -16.209) 18.000 9.876 ( -3.000 -6.964 5.524) 9.382 10.139 ( 1.892 -8.383 -4.940) 9.912 11.750 ( -7.671 5.856 16.252) 18.901 12.423 ( -13.097 12.280 -1.115) 17.989 12.673 ( 11.730 6.451 -8.944) 16.099 12.839 ( 0.787 2.190 9.087) 9.380 13.100 ( 5.586 20.906 -5.092) 22.230 13.458 ( 10.111 7.979 -5.480) 13.997 14.352 ( -9.259 -1.113 5.524) 10.838 14.666 ( -6.536 10.200 -9.358) 15.307 15.484 ( -11.838 8.720 34.567) 37.564 16.375 ( -13.328 -3.466 12.292) 18.459 17.045 ( -10.325 -0.321 19.678) 22.224 17.429 ( 5.956 -10.730 -3.165) 12.673 17.450 ( 4.740 0.072 -23.011) 23.494 18.193 ( 8.060 -6.275 -1.087) 10.273 18.413 ( 9.819 10.592 -22.094) 26.396 18.959 ( 21.551 5.471 -12.538) 25.526 21.870 ( -3.829 -7.821 20.741) 22.495 22.657 ( 4.752 -6.697 -15.064) 17.157 23.422 ( -2.114 -10.089 2.051) 10.510 23.517 ( -4.605 -6.060 -9.066) 11.837 ======================= Grid point 468 (234/312) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( -30.287 -4.982 10.968) 32.595 3.934 ( -26.108 11.324 17.296) 33.302 4.573 ( -11.659 -9.863 -6.473) 16.587 5.385 ( 1.282 9.036 -5.554) 10.684 5.763 ( 9.336 -5.842 5.502) 12.311 5.818 ( -1.330 0.139 9.275) 9.371 6.239 ( -15.749 4.965 -0.479) 16.520 6.845 ( -13.259 4.481 31.865) 34.803 7.105 ( 2.206 -8.626 3.852) 9.701 7.497 ( 9.105 -4.728 3.017) 10.694 7.681 ( 13.181 -9.671 -2.257) 16.503 8.454 ( 7.333 15.743 -3.386) 17.695 8.883 ( 6.651 11.660 1.698) 13.531 9.214 ( 0.848 6.681 -14.551) 16.034 9.796 ( -6.439 -6.769 2.477) 9.665 10.127 ( -1.226 -8.162 -5.551) 9.946 11.679 ( -5.220 5.033 17.132) 18.603 12.176 ( -10.498 11.250 0.986) 15.419 12.819 ( 3.218 13.830 -7.211) 15.926 12.859 ( 4.175 2.197 -0.395) 4.734 13.311 ( 13.570 16.339 -1.003) 21.263 13.626 ( 9.117 5.497 -6.982) 12.732 14.088 ( -17.433 1.171 0.259) 17.474 14.449 ( -11.418 6.434 -7.693) 15.198 15.364 ( -11.922 7.074 32.771) 35.583 15.991 ( -26.028 -2.562 4.591) 26.553 16.802 ( -17.182 -0.182 13.682) 21.965 17.466 ( 9.878 6.305 -38.137) 39.897 17.688 ( 12.281 -8.396 16.199) 21.994 18.359 ( 8.433 -2.472 0.554) 8.805 18.731 ( 25.173 2.765 -11.150) 27.670 19.409 ( 26.215 2.327 -7.628) 27.402 21.856 ( -4.509 -8.586 17.644) 20.134 22.720 ( 6.862 -5.852 -14.273) 16.883 23.162 ( -15.150 -8.241 -13.538) 21.925 23.508 ( -2.149 -4.853 3.969) 6.627 ======================= Grid point 469 (235/312) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -19.317 4.419 21.432) 29.190 3.469 ( -26.047 16.627 23.980) 39.114 4.365 ( -5.443 -3.565 -12.804) 14.362 5.149 ( -16.320 11.065 -20.306) 28.304 5.845 ( 4.152 -6.833 1.361) 8.111 5.978 ( -0.442 4.196 29.428) 29.729 6.066 ( -2.527 4.610 9.427) 10.794 6.663 ( -13.201 2.656 26.633) 29.843 7.169 ( 2.457 -0.386 -6.032) 6.525 7.590 ( 5.150 -9.099 3.865) 11.147 8.028 ( 15.137 -5.815 10.394) 19.261 8.521 ( 0.763 2.756 -9.289) 9.719 9.045 ( 7.501 3.880 -15.189) 17.379 9.208 ( 5.084 11.419 -0.224) 12.501 9.639 ( -9.563 -5.245 1.120) 10.964 10.055 ( -3.959 -7.311 -4.963) 9.683 11.678 ( -0.028 1.646 15.940) 16.025 12.033 ( -4.818 10.257 6.644) 13.136 12.817 ( 0.224 7.810 3.115) 8.412 13.006 ( 9.202 8.849 -7.461) 14.787 13.437 ( -4.772 17.390 -13.549) 22.556 13.744 ( -8.574 4.888 -6.090) 11.597 13.853 ( 13.726 0.412 1.995) 13.876 14.181 ( -11.827 3.987 -5.397) 13.598 15.225 ( -13.259 5.532 26.039) 29.739 15.425 ( -29.567 1.860 -1.254) 29.652 16.499 ( -18.103 2.097 18.814) 26.193 17.563 ( 12.869 5.980 -39.120) 41.615 17.980 ( 10.395 -4.744 16.440) 20.021 18.523 ( 7.532 -2.190 -0.680) 7.873 19.274 ( 30.711 -0.451 -3.278) 30.888 19.918 ( 25.263 -1.723 -3.038) 25.503 21.804 ( -6.465 -9.751 13.835) 18.119 22.739 ( -13.059 -7.792 -18.590) 24.017 22.870 ( 4.520 -3.750 -9.968) 11.570 23.408 ( -9.293 -1.626 3.837) 10.184 ======================= Grid point 470 (236/312) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( -1.811 13.907 29.892) 33.019 3.120 ( -16.815 18.320 29.511) 38.591 4.265 ( 1.150 3.117 -19.522) 19.803 4.733 ( -15.417 14.147 -24.708) 32.378 5.877 ( -4.423 -1.335 13.804) 14.557 6.000 ( -3.242 0.321 29.758) 29.936 6.160 ( 4.470 0.481 8.736) 9.825 6.534 ( -8.481 3.669 24.765) 26.433 7.156 ( 0.180 4.743 -11.035) 12.012 7.770 ( 8.517 -7.763 12.802) 17.225 8.312 ( 10.227 -3.871 4.227) 11.723 8.431 ( -3.628 -8.685 -19.447) 21.605 9.015 ( -3.165 7.802 -8.749) 12.142 9.407 ( 6.272 2.236 -8.700) 10.956 9.468 ( -2.810 -1.756 9.388) 9.956 9.943 ( -5.350 -4.247 -3.984) 7.907 11.815 ( 8.920 -2.770 13.936) 16.776 12.035 ( 1.349 7.786 14.328) 16.363 12.846 ( -1.143 -0.329 4.378) 4.537 13.037 ( -13.070 2.107 -9.804) 16.474 13.197 ( 2.879 20.759 -10.402) 23.397 13.695 ( 2.223 16.178 -11.247) 19.829 13.912 ( -5.027 2.016 -7.128) 8.952 14.256 ( 16.933 -2.216 7.259) 18.556 14.784 ( -28.683 9.666 -5.331) 30.734 15.047 ( -15.097 5.771 14.723) 21.863 16.232 ( -16.717 4.484 30.109) 34.729 17.687 ( 13.135 3.843 -40.692) 42.931 18.202 ( 6.012 -2.209 15.326) 16.611 18.644 ( 4.889 -1.856 -2.079) 5.628 19.907 ( 32.152 -2.800 -0.783) 32.284 20.331 ( 14.327 -5.711 -0.073) 15.423 21.684 ( -9.851 -10.403 10.853) 17.974 22.345 ( -15.308 -7.302 -17.734) 24.539 23.020 ( 8.839 -2.827 -7.965) 12.229 23.182 ( -12.074 2.859 2.472) 12.652 ======================= Grid point 471 (237/312) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( -5.607 25.894 26.243) 37.291 3.583 ( 11.169 22.616 22.792) 33.996 4.561 ( 11.083 18.084 -20.627) 29.587 4.659 ( -10.919 12.106 -21.796) 27.219 5.805 ( -4.207 -0.419 7.669) 8.758 5.941 ( -0.704 -4.792 4.433) 6.565 6.404 ( 3.796 6.768 31.441) 32.385 6.673 ( -1.039 11.046 23.243) 25.756 7.252 ( 2.528 5.509 -10.281) 11.935 7.783 ( 3.712 -10.190 17.843) 20.880 7.996 ( -8.006 -12.060 -23.111) 27.270 8.409 ( 7.394 -5.416 2.993) 9.642 8.893 ( -13.139 -1.742 -10.993) 17.220 9.223 ( -0.662 -11.140 -12.716) 16.918 9.609 ( 3.705 3.037 12.444) 13.335 9.894 ( -0.477 2.750 -3.104) 4.174 12.006 ( 7.297 -4.446 19.259) 21.069 12.240 ( 6.407 -1.528 6.937) 9.566 12.648 ( -12.728 5.495 2.051) 14.015 12.929 ( -7.712 8.700 -11.096) 16.071 13.544 ( 2.568 11.106 -2.676) 11.709 13.679 ( -2.059 0.948 -3.446) 4.125 14.215 ( 3.520 -4.408 5.495) 7.875 14.469 ( -0.485 10.058 -9.175) 13.622 14.849 ( 1.760 26.216 10.723) 28.379 15.151 ( -7.581 30.927 4.981) 32.230 16.269 ( -8.950 14.706 28.576) 33.361 17.815 ( 7.452 0.848 -37.701) 38.440 18.326 ( 3.169 0.862 11.567) 12.024 18.650 ( 2.089 -3.370 -3.381) 5.210 20.156 ( -11.164 -10.960 3.890) 16.121 20.389 ( 22.665 -10.275 -7.844) 26.093 21.294 ( -4.316 -13.320 11.049) 17.837 21.844 ( -9.323 -12.642 -13.094) 20.450 22.976 ( -9.265 4.227 0.672) 10.206 23.225 ( 11.858 -2.836 -9.101) 15.215 ======================= Grid point 472 (238/312) ======================= q-point: ( 0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 2.348 20.561 21.417) 29.782 3.879 ( 9.810 17.937 18.989) 27.902 4.422 ( -3.842 11.030 -20.782) 23.839 4.710 ( 10.229 15.699 -19.108) 26.762 5.740 ( -3.262 0.292 3.533) 4.817 5.974 ( -0.219 -3.755 7.627) 8.504 6.511 ( -2.006 7.025 17.055) 18.554 6.861 ( 9.257 11.291 31.373) 34.604 7.260 ( 2.013 9.025 -4.965) 10.495 7.731 ( -9.344 -11.434 -0.799) 14.787 7.887 ( 1.200 -11.231 -6.471) 13.017 8.514 ( -11.852 -3.713 -23.816) 26.860 8.592 ( 0.915 -8.456 15.909) 18.040 9.247 ( 6.055 -7.983 -6.147) 11.755 9.704 ( 1.717 4.839 8.886) 10.263 9.863 ( -1.236 1.704 -4.290) 4.778 12.131 ( -1.378 -10.303 7.981) 13.106 12.351 ( -0.572 6.243 11.694) 13.269 12.502 ( -3.122 -10.254 -6.220) 12.393 12.845 ( 5.996 18.351 8.678) 21.166 13.558 ( 1.517 1.422 -9.229) 9.461 13.797 ( 11.516 14.188 1.609) 18.344 14.187 ( -8.888 17.190 -3.814) 19.724 14.323 ( -4.763 -0.978 1.535) 5.099 15.084 ( 2.998 36.562 6.021) 37.176 15.136 ( 14.507 9.491 12.094) 21.137 16.231 ( -5.462 16.415 29.149) 33.897 17.811 ( 4.781 -2.944 -34.732) 35.183 18.382 ( -0.690 1.838 7.146) 7.410 18.629 ( -2.469 -2.561 -6.778) 7.655 19.761 ( -25.433 -9.977 -1.652) 27.370 20.544 ( -6.885 -4.782 -10.921) 13.767 21.430 ( 14.868 -15.041 12.139) 24.386 21.709 ( -2.010 -16.473 -2.105) 16.728 22.800 ( -7.143 4.980 -2.353) 9.020 23.428 ( 10.697 -4.462 -8.718) 14.503 ======================= Grid point 473 (239/312) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( 7.976 11.252 11.981) 18.269 4.084 ( 7.096 9.195 2.894) 11.970 4.417 ( 8.177 8.645 -2.939) 12.257 4.821 ( 6.307 7.198 -12.622) 15.840 5.697 ( -2.363 0.238 -0.007) 2.375 5.945 ( -5.408 -0.607 7.017) 8.880 6.500 ( -3.457 0.559 14.055) 14.485 7.035 ( -1.183 10.200 -2.440) 10.554 7.400 ( 8.781 -1.591 2.569) 9.287 7.595 ( -5.228 1.011 22.850) 23.463 7.847 ( -3.513 -7.330 -0.451) 8.141 8.182 ( -6.841 -1.946 -18.469) 19.792 8.688 ( 1.903 -6.022 3.618) 7.278 9.401 ( 9.341 -4.208 1.619) 10.372 9.733 ( -0.460 6.735 0.278) 6.756 9.823 ( -1.908 0.514 0.383) 2.013 12.091 ( -1.060 -1.587 -0.905) 2.113 12.274 ( -7.892 0.646 7.475) 10.890 12.517 ( 4.643 -5.860 2.674) 7.940 13.100 ( 7.825 10.714 19.123) 23.275 13.566 ( 3.787 4.884 -14.671) 15.920 13.892 ( -10.208 27.787 0.533) 29.607 14.111 ( 9.511 14.400 -1.588) 17.330 14.313 ( 5.849 9.969 0.096) 11.558 15.214 ( 5.841 8.063 20.377) 22.679 15.546 ( 20.739 13.764 10.505) 27.016 16.237 ( -3.662 16.972 23.858) 29.507 17.756 ( 0.750 -6.400 -28.622) 29.338 18.335 ( -6.912 1.310 1.688) 7.235 18.526 ( -3.087 -2.030 -10.020) 10.680 19.216 ( -26.344 -5.618 -5.039) 27.404 20.179 ( -21.822 3.788 -11.298) 24.863 21.658 ( -1.218 -21.725 7.034) 22.867 21.877 ( 19.309 -15.308 9.537) 26.422 22.684 ( -2.784 1.776 -6.784) 7.545 23.575 ( 6.813 -7.292 -8.848) 13.337 ======================= Grid point 474 (240/312) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.845 ( 10.448 2.171 0.041) 10.671 4.250 ( 9.984 -0.571 -2.891) 10.410 4.675 ( 14.300 7.170 7.140) 17.518 4.885 ( 3.829 -3.127 0.878) 5.021 5.574 ( -11.703 -1.128 0.148) 11.758 5.865 ( -2.701 -1.945 2.336) 4.066 6.484 ( -2.500 -9.813 8.429) 13.175 6.884 ( -10.407 9.790 -5.837) 15.434 7.305 ( -10.874 -22.670 -5.460) 25.729 7.528 ( -9.404 7.060 4.973) 12.768 8.034 ( 13.380 13.044 9.691) 21.050 8.191 ( 10.643 9.415 6.731) 15.723 8.686 ( -1.806 -1.492 -3.940) 4.584 9.595 ( 7.767 1.518 3.668) 8.722 9.704 ( -0.149 4.216 -6.970) 8.148 9.792 ( -2.284 -1.052 5.848) 6.365 12.127 ( 5.011 4.666 -0.043) 6.847 12.167 ( -6.135 0.893 10.962) 12.594 12.648 ( 7.505 -4.052 1.220) 8.616 13.173 ( -4.917 6.709 14.287) 16.532 13.601 ( -0.317 14.326 -9.509) 17.197 13.668 ( -7.471 28.088 0.317) 29.067 14.296 ( 9.931 13.105 0.968) 16.471 14.578 ( 17.105 21.096 -3.073) 27.333 15.436 ( 6.702 -4.692 33.421) 34.408 16.020 ( 21.803 9.005 10.516) 25.827 16.240 ( -2.931 13.267 16.844) 21.641 17.635 ( -4.262 -9.611 -20.228) 22.797 18.095 ( -15.023 -1.703 -4.181) 15.686 18.487 ( 2.281 -0.560 -12.670) 12.886 18.707 ( -21.332 -0.054 -7.883) 22.742 19.675 ( -23.043 9.472 -13.693) 28.429 21.645 ( -3.223 -18.546 14.449) 23.730 22.261 ( 14.551 -16.887 4.772) 22.797 22.649 ( 2.788 -4.772 -7.879) 9.624 23.633 ( 2.267 -10.476 -9.894) 14.587 ======================= Grid point 475 (241/312) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( 13.497 -5.049 -1.844) 14.528 4.394 ( 2.747 -9.367 -0.649) 9.783 4.851 ( 4.680 7.331 -2.384) 9.018 5.147 ( 6.890 -2.619 13.478) 15.362 5.292 ( -4.670 -11.289 3.280) 12.649 5.793 ( -8.773 -10.628 11.702) 18.079 6.425 ( -2.948 -7.363 -14.571) 16.590 6.685 ( -5.936 -4.535 -1.498) 7.619 7.051 ( -12.403 -12.382 4.375) 18.063 7.409 ( -2.575 12.420 -1.875) 12.822 8.148 ( -1.798 13.275 3.451) 13.834 8.582 ( 14.947 17.945 25.062) 34.257 8.630 ( 2.129 5.291 -14.419) 15.506 9.615 ( -2.583 15.464 -6.290) 16.893 9.763 ( 0.428 -7.366 2.667) 7.846 9.802 ( 5.149 -4.742 2.105) 7.309 12.084 ( -7.081 3.327 14.914) 16.841 12.286 ( 10.179 7.754 1.734) 12.913 12.802 ( 6.953 -1.866 -3.699) 8.094 13.106 ( -5.045 3.153 8.259) 10.179 13.414 ( -9.060 30.185 6.041) 32.089 13.668 ( 2.054 20.941 -7.802) 22.441 14.486 ( 6.396 16.806 5.988) 18.953 14.875 ( 12.752 18.056 -7.266) 23.268 15.706 ( 5.630 -0.082 42.640) 43.010 16.198 ( -1.826 7.536 8.633) 11.604 16.508 ( 18.860 -1.401 13.926) 23.486 17.455 ( -7.826 -11.455 -10.639) 17.483 17.775 ( -13.154 -1.258 -9.764) 16.430 18.249 ( -15.961 -3.276 -14.758) 21.984 18.582 ( 7.481 4.086 -11.204) 14.079 19.195 ( -18.612 14.115 -17.164) 28.987 21.641 ( -3.120 -15.557 19.828) 25.395 22.428 ( 4.119 -11.659 -10.552) 16.256 22.789 ( 10.986 -15.103 3.293) 18.964 23.597 ( -1.989 -13.155 -11.848) 17.815 ======================= Grid point 476 (242/312) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.236 ( -8.973 -11.145 6.760) 15.825 4.421 ( 8.397 -12.562 -2.964) 15.398 4.802 ( -16.504 2.308 3.362) 17.001 4.996 ( 4.772 0.888 -5.997) 7.715 5.555 ( -4.834 -3.608 17.351) 18.370 5.802 ( 18.428 -26.276 18.798) 37.193 6.256 ( -9.617 0.792 -14.199) 17.167 6.595 ( -0.600 -24.868 -19.104) 31.364 6.941 ( -0.510 6.578 16.099) 17.399 7.395 ( 1.798 10.459 -6.288) 12.335 7.985 ( -16.264 17.763 13.655) 27.686 8.674 ( 8.087 13.732 -17.141) 23.405 8.908 ( 7.451 14.979 22.350) 27.918 9.517 ( -4.427 12.880 -8.511) 16.060 9.773 ( 0.418 -4.915 3.103) 5.828 9.904 ( 4.262 -7.060 -3.649) 9.018 11.988 ( -7.905 6.554 16.704) 19.608 12.523 ( 12.294 7.145 0.036) 14.220 12.869 ( -1.101 0.685 1.397) 1.907 12.963 ( -7.650 7.312 -2.010) 10.772 13.415 ( 4.146 27.122 9.147) 28.922 13.677 ( 2.467 20.947 -6.510) 22.073 14.566 ( -1.283 17.821 9.161) 20.079 14.994 ( 1.755 14.010 -10.658) 17.691 15.834 ( -8.523 14.663 36.977) 40.681 16.279 ( 4.835 -6.310 15.726) 17.621 16.864 ( 10.817 -7.860 16.329) 21.105 17.260 ( -9.895 -9.468 0.127) 13.695 17.548 ( -2.372 1.907 -21.436) 21.651 17.984 ( -3.357 -5.160 -15.429) 16.612 18.720 ( 5.372 1.839 -8.956) 10.604 18.868 ( -2.268 18.154 -20.116) 27.191 21.655 ( -3.103 -13.229 22.080) 25.926 22.442 ( 3.232 -11.741 -16.282) 20.332 23.024 ( 9.419 -17.083 6.971) 20.716 23.475 ( -5.429 -14.624 -14.404) 21.232 ======================= Grid point 477 (243/312) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -23.703 -8.605 6.519) 26.046 4.443 ( -10.862 2.627 6.780) 13.071 4.546 ( -8.454 -9.151 1.657) 12.568 5.184 ( 15.316 -4.057 -0.994) 15.875 5.549 ( 1.060 -2.082 11.518) 11.753 5.955 ( -13.943 -7.708 -11.007) 19.364 6.273 ( 17.837 -24.160 11.380) 32.114 6.552 ( 1.702 -4.219 -4.968) 6.736 7.098 ( 8.253 3.765 14.599) 17.188 7.390 ( -1.665 2.939 -9.287) 9.882 7.681 ( -14.418 18.993 9.890) 25.816 8.778 ( 5.654 18.540 -9.216) 21.462 9.042 ( -0.120 10.814 15.711) 19.073 9.395 ( -4.049 7.031 -7.853) 11.291 9.787 ( -0.212 -1.322 -0.713) 1.517 9.945 ( 1.719 -8.182 -5.701) 10.120 11.892 ( -7.508 8.140 17.036) 20.319 12.610 ( -10.620 4.441 -1.296) 11.584 12.807 ( 8.833 5.959 -7.273) 12.901 12.988 ( 3.608 11.463 8.637) 14.799 13.487 ( 1.510 17.682 -0.474) 17.753 13.774 ( 8.075 20.661 -2.338) 22.305 14.492 ( -9.289 18.045 7.940) 21.793 14.876 ( -8.966 10.956 -11.179) 18.038 15.715 ( -13.175 13.659 30.918) 36.278 16.273 ( -13.277 -6.520 11.866) 18.963 17.048 ( -11.054 0.932 15.774) 19.284 17.145 ( 12.610 -13.594 9.924) 21.031 17.547 ( 9.164 6.812 -29.135) 31.292 18.022 ( 9.596 -8.773 -6.833) 14.688 18.675 ( 4.326 13.227 -16.016) 21.217 19.062 ( 17.728 4.597 -8.345) 20.126 21.660 ( -4.076 -12.541 19.994) 23.951 22.470 ( 5.589 -11.708 -15.726) 20.387 23.156 ( -2.086 -16.440 1.175) 16.614 23.321 ( -1.229 -13.544 -11.164) 17.595 ======================= Grid point 478 (244/312) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( -20.203 1.739 11.490) 23.306 4.162 ( -19.938 11.388 18.941) 29.766 4.415 ( -3.322 -4.925 -7.527) 9.589 5.466 ( 3.555 -3.942 -3.917) 6.597 5.608 ( 3.986 -9.592 -2.829) 10.766 5.730 ( 0.117 -4.292 0.460) 4.318 6.460 ( -0.392 11.499 8.566) 14.345 6.735 ( 13.008 -19.500 11.599) 26.154 7.053 ( -21.154 12.635 21.782) 32.888 7.383 ( 6.672 -10.537 -9.790) 15.855 7.658 ( 9.610 9.841 0.861) 13.781 8.776 ( -4.554 15.031 -3.173) 16.023 9.075 ( 2.719 6.550 -2.837) 7.638 9.331 ( -1.121 2.883 2.623) 4.056 9.734 ( -4.442 1.368 -4.469) 6.448 9.942 ( -0.006 -7.989 -4.845) 9.344 11.807 ( -6.635 7.659 15.416) 18.448 12.367 ( -11.208 5.560 0.659) 12.529 12.951 ( 6.670 6.968 -9.615) 13.619 13.087 ( 2.799 13.631 5.684) 15.032 13.562 ( 7.053 4.803 2.194) 8.811 13.920 ( 6.868 19.854 -4.276) 21.439 14.250 ( -16.097 18.914 1.518) 24.882 14.598 ( -14.493 8.709 -7.304) 18.419 15.564 ( -12.186 12.737 29.523) 34.385 15.915 ( -22.026 -4.294 2.203) 22.549 16.843 ( -13.225 5.511 11.895) 18.622 17.501 ( 16.186 -7.524 10.486) 20.701 17.645 ( 10.294 9.025 -25.874) 29.272 18.231 ( 10.733 -9.044 0.351) 14.039 18.865 ( 19.139 9.588 -13.442) 25.277 19.437 ( 20.938 -0.126 -1.740) 21.010 21.626 ( -5.477 -13.747 14.952) 21.037 22.558 ( 7.887 -10.193 -13.086) 18.367 22.936 ( -12.684 -14.126 -13.500) 23.296 23.356 ( 1.714 -10.492 0.659) 10.652 ======================= Grid point 479 (245/312) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( -7.383 14.367 18.858) 24.831 3.824 ( -20.256 18.107 23.182) 35.715 4.372 ( 2.755 5.021 -12.935) 14.146 5.261 ( -11.065 -1.960 -16.466) 19.935 5.718 ( 3.725 -3.901 1.963) 5.740 5.915 ( 10.644 -7.191 5.916) 14.142 6.396 ( -13.512 23.803 25.223) 37.221 6.743 ( -11.910 4.758 14.469) 19.335 7.025 ( 12.057 -14.761 4.939) 19.689 7.447 ( 3.674 -5.167 -1.060) 6.428 7.923 ( 12.817 -2.891 2.615) 13.396 8.604 ( -9.365 5.554 -8.999) 14.126 9.119 ( 3.685 1.336 -15.098) 15.598 9.366 ( 1.749 2.652 13.126) 13.505 9.583 ( -8.345 0.548 -6.608) 10.658 9.920 ( -0.607 -4.044 -2.741) 4.923 11.754 ( -3.060 5.754 14.177) 15.603 12.193 ( -6.532 4.012 3.426) 8.396 13.001 ( 0.424 13.397 -0.623) 13.418 13.123 ( -0.026 3.481 -4.735) 5.877 13.739 ( 4.177 -2.913 -3.792) 6.349 13.932 ( -8.916 13.802 5.737) 17.404 14.013 ( 2.355 20.771 -8.135) 22.431 14.294 ( -11.270 9.503 -2.875) 15.019 15.424 ( -13.612 12.967 21.413) 28.495 15.481 ( -18.701 7.005 2.025) 20.072 16.610 ( -14.179 10.175 14.193) 22.495 17.709 ( 10.900 7.270 -36.190) 38.489 17.889 ( 12.893 -3.059 17.759) 22.158 18.428 ( 8.579 -7.253 1.060) 11.284 19.296 ( 26.610 3.032 -8.318) 28.044 19.856 ( 19.405 -4.882 3.341) 20.287 21.544 ( -7.258 -15.613 10.397) 20.114 22.523 ( -12.827 -13.845 -17.727) 25.893 22.776 ( 7.820 -5.266 -9.198) 13.171 23.338 ( -3.983 -5.725 0.612) 7.001 ======================= Grid point 480 (246/312) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 5.756 23.128 23.773) 33.663 3.551 ( -14.619 23.719 25.555) 37.807 4.431 ( 8.258 13.384 -18.032) 23.927 4.968 ( -11.940 7.059 -19.379) 23.832 5.790 ( 2.414 -5.101 4.048) 6.945 6.036 ( -4.808 -2.397 1.227) 5.510 6.242 ( -3.944 12.126 37.577) 39.681 6.664 ( -3.998 9.276 16.520) 19.363 7.206 ( 6.062 -2.273 -7.477) 9.890 7.588 ( 8.114 -8.963 13.175) 17.881 8.121 ( 4.689 -10.889 -0.912) 11.890 8.381 ( -6.479 0.630 -12.758) 14.322 9.088 ( -1.841 -1.449 -16.028) 16.198 9.368 ( -8.739 -6.416 -9.066) 14.133 9.482 ( 3.871 3.347 13.613) 14.543 9.906 ( -0.099 1.053 -1.491) 1.828 11.813 ( 3.986 2.301 16.137) 16.780 12.144 ( 0.034 1.265 6.858) 6.973 12.915 ( -12.045 6.777 6.262) 15.173 13.063 ( -1.356 5.472 -13.600) 14.722 13.581 ( -5.684 12.784 -9.065) 16.670 13.847 ( -11.403 -0.529 -2.238) 11.632 14.078 ( 7.716 2.182 6.829) 10.532 14.306 ( 10.941 14.066 -3.077) 18.084 15.057 ( -18.172 17.661 0.890) 25.356 15.304 ( -9.957 22.468 13.357) 27.971 16.398 ( -12.674 13.001 21.538) 28.170 17.779 ( 9.366 4.844 -38.165) 39.595 18.165 ( 8.277 -0.961 15.449) 17.553 18.575 ( 5.849 -5.231 -0.596) 7.869 19.839 ( 29.006 -3.772 -4.715) 29.628 20.176 ( 9.187 -9.593 5.262) 14.287 21.410 ( -8.914 -16.258 8.259) 20.297 22.154 ( -15.154 -11.676 -17.858) 26.170 22.963 ( 11.401 -2.810 -7.156) 13.751 23.209 ( -7.903 -0.499 -0.761) 7.955 ======================= Grid point 481 (247/312) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( -3.024 23.624 19.569) 30.825 4.040 ( 5.961 25.808 19.197) 32.713 4.812 ( -7.040 2.482 -13.791) 15.682 4.948 ( 9.353 20.286 -18.196) 28.811 5.775 ( 0.900 -3.808 2.264) 4.521 5.865 ( -2.749 -2.978 0.172) 4.056 6.559 ( 2.032 9.113 20.725) 22.731 6.891 ( 1.038 7.903 12.534) 14.854 7.303 ( 10.200 0.738 -3.242) 10.728 7.597 ( 2.490 -8.532 22.423) 24.120 7.835 ( -9.181 -1.801 -16.665) 19.111 8.311 ( 2.223 -4.297 1.229) 4.992 8.812 ( -16.665 -6.751 -13.509) 22.490 8.952 ( 1.796 -14.339 -11.666) 18.573 9.686 ( 3.521 3.865 11.335) 12.482 9.920 ( -1.491 -0.389 -1.945) 2.482 11.940 ( 0.368 -2.194 13.622) 13.802 12.172 ( 5.145 -4.586 2.936) 7.492 12.740 ( -13.492 5.827 10.021) 17.788 13.195 ( -7.560 13.102 -2.155) 15.279 13.637 ( -3.561 0.277 -3.583) 5.059 13.753 ( 8.661 4.463 -2.146) 9.977 14.085 ( 0.523 -4.481 8.736) 9.832 14.521 ( 5.043 -2.120 -13.000) 14.104 15.494 ( -4.149 35.392 19.042) 40.403 15.826 ( -3.653 30.983 20.056) 37.088 16.637 ( -6.098 22.634 9.321) 25.226 17.819 ( 2.361 -0.442 -30.593) 30.687 18.364 ( 4.900 2.676 7.051) 8.994 18.568 ( 3.973 -4.716 -0.938) 6.237 19.927 ( -11.710 -11.933 4.159) 17.228 20.126 ( 17.349 -15.723 -6.525) 24.305 21.048 ( 0.258 -9.926 6.726) 11.993 21.594 ( -10.018 -12.788 -16.335) 23.037 23.031 ( -5.344 1.496 -3.159) 6.385 23.160 ( 10.071 -3.481 -7.812) 13.213 ======================= Grid point 482 (248/312) ======================= q-point: ( 0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( -2.360 25.835 14.382) 29.662 4.212 ( 3.011 15.572 18.712) 24.530 4.618 ( -5.858 7.737 -13.974) 17.013 5.008 ( 3.689 14.898 -19.406) 24.742 5.721 ( -3.439 -3.470 0.307) 4.895 5.899 ( 0.980 -4.383 6.431) 7.844 6.595 ( -5.085 1.024 4.397) 6.800 7.049 ( 8.725 4.495 10.111) 14.091 7.438 ( -3.605 7.091 -4.917) 9.351 7.566 ( 2.708 -0.773 13.841) 14.124 7.757 ( 1.529 -0.295 2.635) 3.061 8.403 ( -2.848 -8.316 -20.327) 22.146 8.440 ( -6.337 -5.303 10.581) 13.425 9.043 ( 9.327 -11.958 -3.965) 15.675 9.783 ( 2.270 2.567 8.659) 9.312 9.874 ( -1.774 -0.541 -3.165) 3.668 11.971 ( -0.696 -5.375 9.141) 10.627 12.260 ( 1.671 -9.743 -2.408) 10.174 12.563 ( -7.920 10.211 15.953) 20.530 13.145 ( 0.392 9.483 14.427) 17.269 13.612 ( 4.089 4.790 -12.153) 13.688 14.017 ( 17.339 3.994 1.909) 17.895 14.132 ( 2.553 -1.435 2.907) 4.127 14.531 ( -0.044 5.549 -11.464) 12.736 15.528 ( -1.011 30.373 24.541) 39.062 15.827 ( -1.250 33.617 14.244) 36.531 16.585 ( -3.560 19.526 14.505) 24.583 17.740 ( 0.010 -3.968 -27.840) 28.122 18.429 ( 0.138 2.704 2.850) 3.931 18.577 ( -2.106 -2.524 -5.888) 6.744 19.586 ( -20.791 -7.374 -0.173) 22.061 20.322 ( 2.217 -17.600 -6.627) 18.937 21.144 ( 5.545 -12.088 7.522) 15.279 21.419 ( -1.344 -13.096 -6.941) 14.883 22.878 ( -7.270 3.376 -5.719) 9.847 23.319 ( 7.718 -6.391 -8.503) 13.142 ======================= Grid point 483 (249/312) ======================= q-point: ( 0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( -1.024 18.713 5.442) 19.515 4.263 ( -1.414 9.207 4.106) 10.179 4.559 ( 2.671 5.139 2.114) 6.166 4.990 ( 1.354 10.771 -15.621) 19.023 5.662 ( -3.202 -4.426 -0.225) 5.468 5.875 ( -6.326 -7.732 8.289) 12.982 6.427 ( -10.340 -6.969 -2.680) 12.754 7.070 ( -10.788 -20.838 -7.594) 24.663 7.285 ( -2.147 14.129 -5.289) 15.239 7.774 ( -1.834 5.944 4.219) 7.516 7.927 ( 19.327 16.455 25.439) 35.937 8.212 ( 1.666 4.047 -11.719) 12.510 8.536 ( 3.239 -8.900 5.964) 11.193 9.259 ( 11.154 -9.231 2.705) 14.729 9.819 ( -1.241 0.295 4.014) 4.212 9.848 ( 0.558 2.788 -1.988) 3.469 12.011 ( 2.500 -3.708 7.122) 8.410 12.244 ( -0.749 -6.451 -0.990) 6.570 12.536 ( -1.229 8.319 15.692) 17.803 13.203 ( -2.456 -0.260 17.693) 17.864 13.725 ( 10.018 10.343 -11.800) 18.617 14.226 ( 6.774 2.521 -1.461) 7.374 14.427 ( 14.082 11.108 0.348) 17.939 14.482 ( 7.590 14.306 -1.468) 16.261 15.564 ( -4.686 26.646 24.063) 36.208 15.932 ( 7.004 23.418 15.492) 28.939 16.574 ( -3.428 16.743 15.507) 23.078 17.618 ( -3.497 -7.168 -22.545) 23.914 18.355 ( -9.502 0.745 -2.646) 9.892 18.487 ( -1.592 -1.974 -9.782) 10.105 19.162 ( -20.266 0.403 -1.516) 20.326 20.161 ( -13.323 -6.993 -10.471) 18.332 21.228 ( 0.768 -19.353 5.221) 20.060 21.560 ( 13.354 -16.455 5.980) 22.019 22.715 ( -6.122 2.144 -9.213) 11.267 23.398 ( 3.343 -10.362 -9.796) 14.646 ======================= Grid point 484 (250/312) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.949 ( 1.690 8.026 -3.907) 9.084 4.259 ( 1.234 2.260 -2.294) 3.448 4.682 ( 6.524 -3.714 10.267) 12.719 4.977 ( 1.930 10.236 -7.572) 12.878 5.536 ( -10.622 -3.544 -1.741) 11.332 5.725 ( -11.112 -12.568 10.679) 19.886 6.230 ( -5.454 -13.064 -9.201) 16.884 6.731 ( -16.596 -23.825 -12.782) 31.724 7.229 ( -3.986 14.699 4.743) 15.951 7.729 ( -2.452 12.245 -0.186) 12.490 8.269 ( 11.439 10.487 -6.603) 16.866 8.485 ( 17.012 12.819 20.520) 29.577 8.612 ( 4.713 -1.741 6.364) 8.109 9.466 ( 8.064 -8.171 1.235) 11.547 9.796 ( -2.238 1.197 3.549) 4.364 9.860 ( 1.369 5.434 -1.821) 5.892 12.120 ( 4.051 -0.258 10.207) 10.985 12.261 ( 2.315 1.806 6.111) 6.780 12.612 ( 4.933 2.364 6.721) 8.666 13.173 ( -5.173 -3.400 12.618) 14.055 13.832 ( 3.089 10.430 -6.642) 12.745 14.268 ( -2.756 19.287 -2.760) 19.678 14.587 ( 16.092 19.834 -0.861) 25.555 14.963 ( 25.019 12.715 3.989) 28.347 15.538 ( -5.888 18.932 28.266) 34.527 16.180 ( 10.806 8.876 17.616) 22.492 16.534 ( -6.074 14.653 13.245) 20.665 17.441 ( -7.166 -9.530 -16.020) 19.970 18.076 ( -14.429 0.049 -7.869) 16.436 18.429 ( -2.146 -4.376 -12.998) 13.882 18.791 ( -14.980 7.650 -1.396) 16.878 19.799 ( -16.851 1.505 -14.846) 22.508 21.264 ( 0.329 -18.002 11.563) 21.398 21.874 ( 14.083 -21.306 7.357) 26.579 22.576 ( -3.539 -1.848 -12.546) 13.166 23.385 ( -0.805 -14.343 -11.762) 18.567 ======================= Grid point 485 (251/312) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.013 ( 6.658 -1.731 -5.662) 8.910 4.245 ( -3.566 -5.173 -1.329) 6.422 4.893 ( 10.528 -9.277 4.105) 14.620 5.014 ( 3.120 1.382 0.824) 3.510 5.240 ( -15.317 0.535 -3.542) 15.731 5.530 ( -12.239 -14.744 18.942) 26.944 6.179 ( 3.953 -15.250 -17.601) 23.622 6.366 ( -14.185 -19.346 -13.331) 27.444 7.177 ( -3.669 16.216 12.032) 20.523 7.685 ( -1.140 14.831 -4.627) 15.578 8.395 ( -1.636 8.413 9.462) 12.767 8.661 ( 9.028 -1.858 -8.452) 12.506 8.952 ( 14.198 18.646 18.298) 29.734 9.575 ( 3.365 -8.241 -4.061) 9.784 9.763 ( -1.898 2.882 2.775) 4.428 9.894 ( 2.098 7.867 0.728) 8.174 12.169 ( -3.531 5.042 17.062) 18.138 12.419 ( 10.097 4.696 6.118) 12.706 12.760 ( 7.671 -0.852 -0.635) 7.744 13.101 ( -5.308 -2.173 6.817) 8.909 13.848 ( 1.460 13.611 0.271) 13.692 14.184 ( -4.753 25.153 -0.834) 25.612 14.923 ( 14.903 25.539 0.006) 29.569 15.327 ( 4.601 27.142 -1.061) 27.549 15.671 ( 13.369 -0.644 37.070) 39.412 16.378 ( -8.249 4.313 21.723) 23.634 16.483 ( 6.480 3.311 7.164) 10.212 17.243 ( -7.593 -9.938 -7.686) 14.680 17.781 ( -10.190 2.217 -12.825) 16.530 18.220 ( -12.503 -0.331 -15.640) 20.026 18.647 ( 0.595 3.742 -0.856) 3.885 19.427 ( -13.414 7.168 -19.102) 24.418 21.327 ( 0.718 -14.240 17.742) 22.762 22.123 ( 7.883 -19.290 -0.084) 20.839 22.520 ( 3.283 -10.140 -9.145) 14.044 23.289 ( -3.984 -17.571 -14.368) 23.045 ======================= Grid point 486 (252/312) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.058 ( -11.344 -6.689 2.400) 13.386 4.183 ( 7.070 -10.759 -3.667) 13.386 4.858 ( -11.998 2.914 0.377) 12.352 4.991 ( -1.151 -1.389 -6.408) 6.657 5.315 ( 13.844 -21.502 13.997) 29.153 5.440 ( 0.316 -8.339 12.128) 14.722 6.019 ( -11.682 -16.601 -10.911) 23.046 6.293 ( 9.417 -10.590 -20.520) 24.938 7.176 ( -1.211 15.987 15.553) 22.337 7.649 ( -0.510 14.646 -7.140) 16.302 8.281 ( -12.557 9.835 13.692) 21.021 8.834 ( 9.523 0.912 -8.254) 12.635 9.187 ( 3.841 13.792 11.824) 18.568 9.595 ( 0.540 -6.169 -7.230) 9.519 9.729 ( -2.691 5.948 5.228) 8.364 9.943 ( 2.601 7.009 -1.322) 7.592 12.133 ( -6.006 8.065 18.655) 21.193 12.644 ( 8.398 3.511 6.127) 10.973 12.854 ( 0.516 -0.272 -0.958) 1.121 13.038 ( 0.870 1.640 -3.377) 3.854 13.936 ( 5.708 16.963 7.216) 19.298 14.061 ( -7.437 22.128 -0.575) 23.352 15.111 ( 1.393 33.546 4.937) 33.936 15.282 ( -5.759 14.864 1.647) 16.025 16.115 ( 7.884 11.610 33.774) 36.573 16.194 ( -9.832 -0.032 14.585) 17.589 16.639 ( 5.783 -13.128 5.140) 15.238 17.120 ( -3.785 -5.761 6.035) 9.162 17.635 ( 2.197 6.631 -18.500) 19.775 17.946 ( -7.044 1.612 -16.150) 17.693 18.726 ( 6.193 -0.629 0.717) 6.266 19.164 ( -4.764 9.566 -21.265) 23.799 21.403 ( -0.419 -10.183 20.787) 23.151 22.183 ( 2.986 -13.976 -14.625) 20.448 22.656 ( 9.292 -18.762 2.523) 21.088 23.133 ( -5.606 -19.341 -17.447) 26.644 ======================= Grid point 487 (253/312) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( -14.993 -1.952 5.052) 15.941 4.297 ( 4.195 -9.201 -2.930) 10.528 4.616 ( -13.269 7.791 9.952) 18.325 5.086 ( 11.945 -5.509 -0.215) 13.156 5.362 ( -3.262 -15.475 -2.660) 16.037 5.786 ( 12.431 -17.188 6.098) 22.072 5.815 ( 1.978 -9.712 -0.257) 9.915 6.434 ( 10.759 -10.411 -16.951) 22.616 7.232 ( 1.303 11.749 13.144) 17.678 7.597 ( -4.091 14.575 -3.048) 15.442 8.038 ( -13.906 15.254 10.580) 23.194 8.951 ( 4.429 -2.588 -6.651) 8.399 9.222 ( -2.961 8.345 8.745) 12.445 9.502 ( -6.481 3.540 -6.782) 10.026 9.731 ( 0.363 0.094 5.035) 5.049 9.967 ( 0.324 6.272 -4.132) 7.517 12.065 ( -7.161 9.165 17.533) 21.040 12.628 ( -10.671 -1.723 5.060) 11.936 12.931 ( 9.974 6.549 -10.101) 15.633 13.135 ( 7.658 3.304 1.088) 8.411 13.874 ( -10.288 19.122 0.431) 21.718 14.094 ( 5.555 12.501 7.219) 15.467 14.973 ( -14.982 18.565 3.729) 24.146 15.148 ( -9.721 22.347 1.512) 24.417 15.957 ( -14.204 7.564 25.488) 30.143 16.172 ( -11.554 0.084 7.375) 13.707 16.937 ( 19.578 -6.155 11.854) 23.700 17.106 ( -2.905 4.328 14.150) 15.080 17.703 ( 9.498 8.703 -22.606) 26.019 17.886 ( 6.316 -4.101 -10.330) 12.784 18.867 ( 8.096 5.032 -4.164) 10.402 19.135 ( 8.527 2.032 -11.712) 14.629 21.431 ( -3.842 -8.562 16.679) 19.138 22.219 ( 6.733 -12.925 -15.303) 21.133 22.792 ( -0.774 -19.514 -1.625) 19.596 23.000 ( 2.112 -18.180 -13.438) 22.706 ======================= Grid point 488 (254/312) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( -7.176 9.688 9.309) 15.232 4.319 ( -5.346 2.604 5.387) 8.024 4.452 ( -1.866 10.048 6.111) 11.907 5.238 ( -5.153 -15.201 -9.039) 18.421 5.404 ( 16.527 -10.415 1.069) 19.564 5.727 ( -1.892 1.900 0.518) 2.731 6.232 ( 19.465 -23.321 8.740) 31.610 6.597 ( 9.887 -7.589 -8.745) 15.226 7.264 ( -4.712 5.991 -2.850) 8.138 7.410 ( -13.722 17.523 20.867) 30.509 7.912 ( 0.279 13.965 -0.480) 13.976 8.932 ( -5.116 -3.297 -8.885) 10.770 9.154 ( -5.059 5.129 5.251) 8.915 9.371 ( -3.337 1.759 -2.591) 4.576 9.730 ( -2.891 -0.262 3.086) 4.237 9.932 ( -1.447 4.352 -4.288) 6.279 11.971 ( -7.600 8.697 14.741) 18.727 12.404 ( -11.567 -0.678 1.766) 11.720 13.084 ( 9.305 6.177 -15.128) 18.804 13.307 ( 6.573 5.717 5.429) 10.264 13.678 ( -8.222 9.893 3.088) 13.229 14.174 ( -0.506 8.160 5.871) 10.065 14.615 ( -19.711 9.022 -2.327) 21.802 14.870 ( -17.904 16.748 3.490) 24.763 15.802 ( -10.105 10.359 22.962) 27.141 15.947 ( -10.900 11.525 7.556) 17.571 17.049 ( -6.170 14.838 6.992) 17.525 17.384 ( 18.603 -3.304 16.145) 24.852 17.820 ( 10.349 7.325 -26.086) 29.004 18.057 ( 10.721 -7.283 -1.940) 13.105 19.060 ( 14.913 8.715 -11.347) 20.666 19.381 ( 15.520 -6.022 3.435) 16.998 21.368 ( -6.554 -10.411 8.559) 14.987 22.324 ( 5.814 -13.973 -12.036) 19.336 22.641 ( -5.103 -13.842 -14.401) 20.616 23.103 ( 6.354 -14.591 -1.710) 16.006 ======================= Grid point 489 (255/312) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( 3.572 20.425 13.562) 24.776 4.165 ( -11.775 16.358 21.042) 29.138 4.563 ( 10.774 13.457 -9.586) 19.725 5.101 ( -4.419 -11.609 -11.805) 17.136 5.681 ( 5.094 -4.483 -0.757) 6.828 5.742 ( 6.662 -6.440 8.194) 12.369 6.635 ( 17.073 -19.470 7.211) 26.881 6.751 ( 6.481 -4.251 -2.443) 8.127 6.940 ( -19.652 22.101 9.909) 31.191 7.373 ( -0.695 1.319 11.900) 11.993 7.971 ( 4.171 6.843 -2.740) 8.469 8.695 ( -13.664 1.491 -7.050) 15.448 9.074 ( -2.625 -3.425 -11.272) 12.070 9.346 ( -1.349 -4.641 2.962) 5.668 9.619 ( -7.703 3.858 3.305) 9.227 9.919 ( 0.975 1.653 -1.140) 2.232 11.885 ( -5.142 6.947 12.765) 15.416 12.207 ( -8.101 -1.360 1.659) 8.380 13.168 ( 1.181 3.835 -11.369) 12.057 13.336 ( -2.809 15.892 2.803) 16.380 13.660 ( 4.096 -3.836 0.041) 5.612 14.098 ( -8.481 5.744 6.538) 12.152 14.212 ( -20.302 2.122 4.556) 20.915 14.559 ( -9.661 7.501 -5.559) 13.435 15.681 ( -8.300 20.203 10.606) 24.280 15.831 ( -6.356 20.820 23.491) 32.027 16.918 ( -8.341 20.376 3.848) 22.351 17.764 ( 13.472 -0.394 1.842) 13.603 17.929 ( 10.230 5.270 -17.118) 20.626 18.264 ( 9.551 -8.550 2.031) 12.979 19.378 ( 19.957 3.966 -10.917) 23.092 19.718 ( 14.524 -8.815 9.595) 19.512 21.243 ( -7.741 -12.792 3.546) 15.367 22.198 ( -10.702 -18.749 -18.666) 28.539 22.688 ( 11.427 -2.937 -8.018) 14.265 23.183 ( 1.821 -9.581 -1.463) 9.861 ======================= Grid point 490 (256/312) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( 9.357 23.736 16.126) 30.183 4.031 ( -8.997 24.987 23.390) 35.389 4.770 ( 13.305 20.057 -15.039) 28.381 4.973 ( -4.625 -5.724 -12.125) 14.184 5.720 ( 2.005 -2.536 1.473) 3.553 5.901 ( 2.447 -9.442 5.063) 10.990 6.570 ( -12.284 16.121 15.225) 25.349 6.849 ( 1.451 4.845 6.706) 8.399 7.046 ( 15.480 -8.057 4.659) 18.062 7.443 ( 3.908 -5.682 12.868) 14.600 8.002 ( -1.228 -0.241 -5.341) 5.486 8.405 ( -10.861 1.253 -6.562) 12.751 8.977 ( -1.486 -8.426 -16.466) 18.556 9.192 ( -13.377 -10.196 -7.884) 18.576 9.584 ( 1.574 6.142 12.189) 13.739 9.936 ( 0.439 0.566 -0.599) 0.933 11.878 ( -0.196 3.599 13.649) 14.117 12.115 ( -1.460 -2.793 3.147) 4.453 12.998 ( -13.971 3.932 6.320) 15.830 13.332 ( 0.381 17.173 -13.720) 21.984 13.671 ( -0.735 -3.540 -6.065) 7.061 13.843 ( -16.436 1.172 8.157) 18.386 14.038 ( -0.265 -1.330 11.595) 11.674 14.471 ( 2.448 -0.062 -10.935) 11.206 15.559 ( -7.247 31.206 11.603) 34.073 15.821 ( -4.110 25.288 25.697) 36.286 16.761 ( -8.306 23.283 4.528) 25.131 17.857 ( 4.708 2.796 -29.155) 29.665 18.173 ( 11.141 1.418 9.262) 14.558 18.445 ( 7.607 -7.510 2.054) 10.885 19.757 ( 20.898 -5.276 -9.027) 23.368 19.967 ( 5.115 -10.956 9.768) 15.544 21.102 ( -6.595 -12.850 2.865) 14.725 21.888 ( -12.397 -15.256 -19.521) 27.703 22.918 ( 12.854 -1.509 -6.493) 14.480 23.162 ( -2.977 -4.003 -2.664) 5.656 ======================= Grid point 491 (257/312) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( 2.230 14.846 13.214) 20.000 4.601 ( -2.351 27.291 11.898) 29.864 4.762 ( -0.684 -5.363 -0.280) 5.414 5.344 ( 3.946 18.648 -18.209) 26.361 5.581 ( 1.530 -15.381 7.173) 17.041 5.833 ( -0.537 -1.983 -4.899) 5.313 6.726 ( -1.428 5.900 2.973) 6.760 6.879 ( 8.815 -6.473 -1.436) 11.030 7.399 ( 12.600 7.565 8.187) 16.823 7.484 ( 3.281 -1.465 24.003) 24.270 7.900 ( -8.330 6.519 -11.431) 15.574 8.232 ( -2.760 -4.986 -6.173) 8.402 8.621 ( -13.403 -9.171 -4.513) 16.856 8.731 ( -2.881 -8.590 -8.882) 12.688 9.754 ( 1.565 3.117 7.581) 8.345 9.883 ( -1.876 -2.994 0.283) 3.544 11.927 ( -2.022 0.993 8.379) 8.676 12.071 ( 1.489 -5.310 1.987) 5.862 12.901 ( -12.047 10.054 17.557) 23.547 13.291 ( -11.981 -4.372 14.429) 19.258 13.675 ( 2.156 4.139 -7.303) 8.667 13.775 ( 3.726 -0.939 -0.627) 3.893 14.118 ( 5.841 6.713 -2.923) 9.367 14.433 ( 7.378 -6.322 -15.143) 17.992 16.117 ( -5.070 24.515 28.029) 37.581 16.275 ( -3.058 14.396 34.762) 37.749 17.137 ( -5.429 26.238 -5.949) 27.446 17.784 ( -1.838 -4.168 -23.686) 24.120 18.413 ( 5.872 1.737 5.510) 8.238 18.477 ( 6.643 -3.974 2.558) 8.153 19.707 ( -6.845 -9.263 2.051) 11.699 19.806 ( 6.450 -14.904 -3.631) 16.641 20.956 ( 1.462 1.313 -3.538) 4.047 21.333 ( -6.925 -13.410 -17.831) 23.361 23.046 ( -1.321 0.440 -5.351) 5.529 23.097 ( 7.306 -2.628 -7.035) 10.478 ======================= Grid point 492 (258/312) ======================= q-point: ( 0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.368 ( -0.767 13.825 9.042) 16.537 4.541 ( -5.490 15.588 4.978) 17.260 4.731 ( -3.362 8.253 3.121) 9.442 5.293 ( -1.537 11.762 -14.079) 18.410 5.583 ( -3.034 -10.402 0.271) 10.838 5.773 ( -4.533 -7.393 1.516) 8.804 6.598 ( -10.151 1.442 -6.145) 11.954 6.947 ( -4.974 -12.017 -4.707) 13.831 7.594 ( 0.035 11.551 2.236) 11.766 7.713 ( 15.541 9.389 10.338) 20.894 7.851 ( 8.064 6.961 7.110) 12.808 8.193 ( 0.252 -12.193 -13.245) 18.005 8.403 ( -4.707 1.829 6.855) 8.514 8.790 ( 9.027 -13.333 0.669) 16.115 9.807 ( 0.782 0.378 6.183) 6.244 9.850 ( -0.869 -1.635 0.407) 1.895 11.919 ( -0.873 -0.007 7.155) 7.208 12.085 ( -0.220 -7.646 0.080) 7.650 12.780 ( -7.350 11.505 21.996) 25.888 13.177 ( -6.601 -5.179 20.810) 22.437 13.744 ( 8.797 7.180 -9.925) 15.081 13.940 ( 11.410 -4.677 1.061) 12.377 14.274 ( 11.935 8.964 -6.802) 16.403 14.539 ( 8.255 -3.180 -14.659) 17.121 16.124 ( -5.267 25.234 33.970) 42.644 16.326 ( -3.849 15.501 32.433) 36.153 17.013 ( -4.906 23.447 -4.676) 24.407 17.647 ( -3.805 -6.285 -21.831) 23.034 18.478 ( -0.386 1.938 0.907) 2.175 18.534 ( -1.419 -1.732 -3.518) 4.170 19.489 ( -12.871 -1.611 0.495) 12.981 19.909 ( 3.151 -21.655 -1.160) 21.913 20.989 ( 1.139 -3.240 -1.267) 3.660 21.184 ( -1.119 -10.574 -11.443) 15.621 22.950 ( -5.274 4.285 -7.724) 10.288 23.184 ( 3.554 -7.003 -8.639) 11.675 ======================= Grid point 493 (259/312) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.299 ( -6.520 13.826 -4.616) 15.968 4.447 ( -6.123 7.807 5.709) 11.447 4.676 ( -2.143 10.733 2.773) 11.291 5.221 ( -1.417 10.997 -7.231) 13.237 5.495 ( -5.620 -14.249 -1.860) 15.430 5.651 ( -8.887 -11.450 7.941) 16.527 6.315 ( -13.207 -2.285 -13.764) 19.212 6.669 ( -17.090 -18.486 -9.164) 26.792 7.587 ( 0.039 15.944 -3.612) 16.348 7.928 ( 3.526 8.171 2.490) 9.241 8.175 ( 13.913 3.319 -5.776) 15.426 8.232 ( 9.620 -5.817 4.885) 12.258 8.486 ( 9.480 10.761 18.122) 23.111 9.049 ( 13.740 -11.978 6.457) 19.338 9.815 ( -0.501 -0.030 2.769) 2.814 9.866 ( 0.926 -0.921 2.485) 2.807 11.973 ( 4.059 -0.021 8.159) 9.113 12.108 ( 2.990 -6.308 2.570) 7.439 12.737 ( -4.612 10.962 19.629) 22.950 13.126 ( -5.892 -6.934 18.312) 20.448 13.923 ( 9.870 8.912 -8.456) 15.759 14.177 ( 11.194 -4.691 -0.860) 12.167 14.596 ( 22.317 7.120 -2.490) 23.557 14.684 ( 12.152 4.501 -11.233) 17.150 16.126 ( -7.880 25.450 37.305) 45.841 16.352 ( -3.930 15.358 28.669) 32.760 16.907 ( -4.909 17.746 -1.100) 18.446 17.474 ( -6.560 -7.999 -17.974) 20.739 18.370 ( -10.032 0.912 -6.171) 11.813 18.444 ( -3.640 -2.365 -8.020) 9.119 19.240 ( -12.331 7.734 1.561) 14.639 19.881 ( -5.579 -19.928 -4.071) 21.090 20.980 ( 0.266 -4.844 -1.034) 4.960 21.247 ( 7.955 -14.570 0.077) 16.601 22.793 ( -6.914 6.096 -10.845) 14.233 23.177 ( -0.769 -11.643 -10.839) 15.926 ======================= Grid point 494 (260/312) ======================= q-point: ( 0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.133 ( -6.529 9.531 -8.241) 14.191 4.328 ( -6.165 2.737 -2.239) 7.107 4.668 ( -0.074 4.627 4.834) 6.692 5.179 ( -2.210 8.671 -7.488) 11.668 5.327 ( -10.205 -18.518 9.015) 22.985 5.499 ( -9.123 -6.722 3.492) 11.858 6.041 ( -7.247 -5.305 -15.906) 18.267 6.294 ( -15.276 -18.456 -10.607) 26.201 7.564 ( -2.116 17.939 3.241) 18.352 7.961 ( 0.753 8.899 -2.320) 9.227 8.367 ( 2.367 -9.464 5.927) 11.415 8.401 ( 12.376 0.915 -7.887) 14.704 8.897 ( 19.505 16.961 18.794) 31.959 9.320 ( 10.444 -6.592 4.023) 12.989 9.821 ( -0.318 1.405 4.057) 4.305 9.901 ( 2.285 -0.778 2.316) 3.345 12.131 ( 7.230 1.307 11.287) 13.468 12.231 ( 7.287 -3.197 7.746) 11.106 12.737 ( -0.622 8.762 12.266) 15.087 13.073 ( -4.797 -6.602 13.320) 15.622 14.030 ( 4.043 9.728 -5.748) 12.001 14.353 ( 6.726 -4.302 -4.467) 9.149 14.993 ( 21.591 14.874 -5.725) 26.836 15.115 ( 27.970 4.883 3.874) 28.656 16.044 ( -13.082 25.837 34.862) 45.322 16.377 ( -4.230 8.795 29.328) 30.909 16.796 ( -6.757 12.488 2.305) 14.384 17.261 ( -8.952 -9.130 -13.055) 18.274 18.106 ( -11.828 3.222 -10.376) 16.061 18.328 ( -4.506 -5.823 -10.768) 13.045 18.997 ( -12.252 13.300 0.836) 18.103 19.675 ( -11.359 -14.169 -10.034) 20.747 21.032 ( 4.082 -3.506 5.593) 7.762 21.456 ( 11.239 -20.010 5.217) 23.536 22.607 ( -6.857 5.505 -14.507) 16.964 23.083 ( -4.146 -15.663 -13.601) 21.154 ======================= Grid point 495 (261/312) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( -2.023 2.088 -6.945) 7.529 4.175 ( -8.403 -3.070 -3.991) 9.796 4.735 ( 5.893 -3.222 4.941) 8.338 5.001 ( -9.446 -6.944 -3.873) 12.347 5.251 ( -5.577 0.435 -3.803) 6.764 5.298 ( -8.382 -5.709 9.136) 13.650 5.914 ( -2.956 -8.980 -12.532) 15.698 6.048 ( -3.356 -12.926 -10.185) 16.795 7.535 ( -2.627 18.876 8.590) 20.904 7.951 ( -0.432 9.291 -4.908) 10.517 8.393 ( -1.975 -5.013 8.877) 10.384 8.608 ( 9.974 -4.731 -6.871) 13.003 9.278 ( 12.073 13.234 10.083) 20.557 9.478 ( 4.751 -1.677 -0.821) 5.105 9.835 ( 0.474 4.207 5.805) 7.185 9.974 ( 3.296 0.256 4.006) 5.194 12.274 ( 1.135 5.324 16.803) 17.663 12.442 ( 9.266 -2.003 11.829) 15.159 12.805 ( 4.643 5.060 1.553) 7.040 13.033 ( -2.457 -4.642 6.434) 8.306 14.087 ( 3.620 11.455 -0.642) 12.031 14.419 ( 1.696 -0.102 -5.380) 5.642 15.438 ( 22.109 22.305 -2.236) 31.485 15.713 ( 27.575 4.462 11.863) 30.348 15.855 ( -15.657 22.768 26.295) 38.144 16.341 ( -11.269 -3.477 30.084) 32.313 16.651 ( -8.464 9.655 4.224) 13.517 17.054 ( -7.337 -9.532 -5.232) 13.117 17.873 ( -6.259 7.229 -12.695) 15.893 18.188 ( -5.364 -4.056 -13.468) 15.053 18.786 ( -8.006 11.243 1.515) 13.885 19.401 ( -10.764 -10.367 -14.365) 20.729 21.171 ( 6.229 0.115 11.706) 13.260 21.704 ( 10.805 -21.549 5.711) 24.774 22.435 ( -4.023 2.049 -17.148) 17.732 22.925 ( -5.977 -18.504 -16.824) 25.713 ======================= Grid point 496 (262/312) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.968 ( -9.581 -2.611 -1.240) 10.007 4.016 ( 3.143 -5.882 -3.257) 7.422 4.879 ( -0.338 -2.235 -1.456) 2.689 4.928 ( 7.146 -6.382 -3.603) 10.236 5.039 ( -6.540 -2.607 6.569) 9.630 5.244 ( -2.631 -9.805 -0.577) 10.168 5.825 ( -1.504 -2.739 -4.364) 5.367 6.067 ( 7.018 -11.546 -14.746) 20.000 7.524 ( -2.087 18.242 11.944) 21.904 7.915 ( -1.340 8.963 -5.207) 10.451 8.350 ( -5.461 0.414 9.064) 10.590 8.737 ( 5.044 -9.917 -5.828) 12.560 9.409 ( -0.930 8.141 2.893) 8.690 9.540 ( 2.721 0.642 -2.330) 3.640 9.872 ( -0.417 7.695 8.445) 11.433 10.041 ( 1.996 1.779 2.081) 3.388 12.301 ( -4.279 8.765 19.128) 21.471 12.613 ( 0.793 -5.582 15.380) 16.381 12.910 ( 6.707 4.861 -5.691) 10.050 13.045 ( 4.011 -0.969 -3.813) 5.619 14.178 ( 4.100 10.358 4.092) 11.868 14.376 ( -4.194 6.463 -5.304) 9.354 15.561 ( -21.265 14.325 25.556) 36.201 15.751 ( 3.202 26.273 6.368) 27.222 16.125 ( -9.373 -4.993 12.884) 16.697 16.352 ( 25.614 0.997 13.708) 29.069 16.483 ( -10.655 6.702 7.300) 14.551 16.988 ( 1.605 -8.532 7.132) 11.235 17.800 ( 3.545 9.921 -12.809) 16.585 18.025 ( -4.993 4.189 -16.910) 18.122 18.729 ( 1.585 2.618 5.053) 5.907 19.175 ( -5.887 -8.704 -15.364) 18.614 21.336 ( 4.540 4.447 14.776) 16.084 21.887 ( 6.168 -16.484 -2.727) 17.811 22.373 ( 3.971 -7.002 -11.615) 14.131 22.740 ( -5.401 -19.412 -20.174) 28.513 ======================= Grid point 497 (263/312) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( -4.524 5.316 2.175) 7.311 4.133 ( 8.714 -8.073 -1.437) 11.965 4.777 ( -9.315 8.066 6.598) 13.977 4.987 ( 9.249 -3.186 -3.237) 10.304 5.077 ( -3.212 -11.173 -2.588) 11.910 5.368 ( 16.253 -19.006 4.373) 25.387 5.813 ( 1.120 3.613 -4.067) 5.554 6.181 ( 9.379 -13.504 -16.080) 22.998 7.526 ( -2.399 16.255 12.056) 20.379 7.854 ( -4.446 8.122 0.218) 9.261 8.249 ( -6.446 7.918 5.342) 11.523 8.773 ( 0.850 -13.528 -6.399) 14.989 9.346 ( -4.797 5.928 2.236) 7.947 9.532 ( -3.413 -0.395 -2.605) 4.312 9.856 ( -3.556 9.218 7.285) 12.275 10.053 ( -1.609 1.343 -0.110) 2.099 12.248 ( -7.233 9.211 17.065) 20.697 12.556 ( -9.525 -5.446 10.475) 15.169 13.052 ( 9.498 5.322 -10.075) 14.834 13.160 ( 8.335 -0.170 -4.055) 9.271 14.167 ( -9.560 10.642 -0.247) 14.307 14.291 ( -0.213 6.319 0.781) 6.371 15.179 ( -24.070 7.939 16.199) 30.080 15.486 ( -26.810 1.223 16.622) 31.569 16.110 ( 0.822 14.949 5.688) 16.016 16.302 ( -9.704 7.462 12.692) 17.634 16.906 ( 22.461 3.000 15.522) 27.467 17.162 ( 11.010 -1.052 10.276) 15.097 17.892 ( 5.586 10.079 -17.202) 20.705 17.900 ( 2.501 5.622 -14.256) 15.527 18.879 ( 10.686 -2.368 7.206) 13.105 19.081 ( 1.777 -8.233 -11.359) 14.141 21.402 ( -2.775 6.644 7.949) 10.725 21.969 ( 5.380 -13.287 -9.457) 17.173 22.446 ( 2.340 -12.689 -9.091) 15.784 22.640 ( 5.513 -17.041 -14.785) 23.225 ======================= Grid point 498 (264/312) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.826 ( 4.371 15.618 5.090) 16.998 4.332 ( 10.302 -2.829 -1.102) 10.740 4.670 ( -3.577 9.895 13.128) 16.825 4.980 ( -2.964 -8.942 -5.216) 10.768 5.230 ( 12.945 -4.891 2.152) 14.005 5.689 ( 8.417 -15.015 0.441) 17.219 5.883 ( 12.149 -1.335 -1.743) 12.346 6.323 ( 10.374 -16.357 -15.487) 24.800 7.493 ( -4.921 14.133 7.960) 16.950 7.707 ( -12.325 9.583 11.887) 19.623 8.169 ( -1.787 12.102 -1.776) 12.361 8.727 ( -2.941 -14.314 -8.273) 16.792 9.256 ( -5.429 4.527 2.440) 7.478 9.389 ( -8.840 -0.153 -2.566) 9.206 9.801 ( -4.199 6.166 5.766) 9.429 9.980 ( -4.619 -0.303 -0.657) 4.675 12.138 ( -8.756 7.844 12.913) 17.463 12.363 ( -11.371 -3.316 4.803) 12.781 13.194 ( 8.461 4.948 -13.057) 16.326 13.330 ( 8.939 -1.560 -1.326) 9.171 13.925 ( -12.871 13.146 2.226) 18.532 14.256 ( -4.594 -0.441 1.258) 4.783 14.724 ( -25.365 4.593 10.108) 27.689 14.971 ( -27.167 -4.501 9.180) 29.027 16.119 ( -3.410 17.789 17.587) 25.247 16.211 ( -4.883 11.631 16.561) 20.818 17.304 ( 7.344 7.495 21.914) 24.297 17.438 ( 16.174 8.590 -1.358) 18.364 17.888 ( 7.159 1.211 -17.656) 19.091 18.014 ( 6.421 2.500 -12.273) 14.075 19.144 ( 12.541 -1.214 -6.067) 13.984 19.211 ( 13.356 -9.435 8.940) 18.637 21.301 ( -6.993 5.188 -3.175) 9.268 21.975 ( -2.772 -20.872 -13.569) 25.049 22.477 ( 8.445 -1.762 -11.281) 14.202 22.805 ( 10.536 -14.702 -3.812) 18.485 ======================= Grid point 499 (265/312) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 9.212 21.150 7.113) 24.141 4.463 ( 1.098 11.600 13.387) 17.747 4.758 ( 6.288 -1.381 0.216) 6.442 4.961 ( 5.276 4.375 -2.826) 7.414 5.469 ( 8.489 -9.330 2.193) 12.803 5.734 ( 1.408 -0.990 -1.747) 2.452 6.259 ( 20.691 -15.178 2.632) 25.796 6.488 ( 10.922 -17.000 -12.139) 23.572 7.359 ( -10.840 17.214 6.041) 21.221 7.514 ( -9.984 8.881 17.102) 21.703 8.139 ( -1.087 9.502 -4.073) 10.395 8.593 ( -7.373 -10.799 -8.418) 15.552 9.074 ( -11.661 2.976 -6.327) 13.597 9.232 ( -7.423 -5.507 -1.119) 9.311 9.723 ( -4.650 5.903 6.123) 9.693 9.916 ( -1.348 -2.321 1.147) 2.919 12.011 ( -7.068 5.618 9.643) 13.210 12.166 ( -8.799 -2.589 2.460) 9.496 13.260 ( -0.064 5.538 -7.497) 9.321 13.483 ( 6.361 -3.113 -1.723) 7.289 13.721 ( -7.331 11.670 1.935) 13.917 14.110 ( -11.962 -4.837 6.176) 14.305 14.276 ( -20.470 5.453 8.906) 22.980 14.540 ( -14.696 -6.012 -4.352) 16.464 16.123 ( -3.411 18.914 23.207) 30.132 16.192 ( -4.209 14.487 23.167) 27.646 17.357 ( -3.283 22.378 3.543) 22.893 17.780 ( 14.627 2.143 2.523) 14.997 18.000 ( 8.029 1.230 -21.204) 22.706 18.109 ( 7.699 -7.259 2.093) 10.786 19.386 ( 13.496 -3.048 -5.088) 14.742 19.539 ( 13.437 -8.628 10.194) 18.945 21.135 ( -6.928 3.771 -8.067) 11.283 21.794 ( -7.990 -21.680 -19.440) 30.195 22.681 ( 13.152 2.532 -6.378) 14.834 22.978 ( 7.314 -10.631 -2.928) 13.232 ======================= Grid point 500 (266/312) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.188 ( 5.959 18.215 10.054) 21.643 4.542 ( 1.240 25.337 19.917) 32.252 4.786 ( -0.433 -10.478 -5.059) 11.644 5.190 ( 14.845 18.901 -8.937) 25.642 5.551 ( 0.489 -13.868 0.862) 13.903 5.799 ( 4.202 -1.405 0.391) 4.448 6.631 ( 12.229 -12.037 -6.982) 18.525 6.677 ( 11.371 -8.881 4.630) 15.153 7.217 ( -2.302 15.908 11.131) 19.552 7.431 ( -4.138 3.656 15.934) 16.864 8.071 ( -4.537 6.057 -5.516) 9.365 8.389 ( -9.388 -4.575 -7.433) 12.819 8.826 ( -9.077 -4.351 -8.931) 13.457 8.997 ( -14.168 -9.077 -7.476) 18.413 9.705 ( 0.101 5.976 7.934) 9.933 9.908 ( -0.679 -3.313 1.151) 3.573 11.943 ( -3.163 2.981 9.057) 10.046 12.058 ( -2.457 -2.902 2.685) 4.655 13.117 ( -12.590 8.106 8.504) 17.220 13.511 ( -8.379 -8.950 2.507) 12.514 13.642 ( 2.442 10.803 -8.088) 13.715 13.845 ( -12.357 -1.306 10.003) 15.952 14.076 ( -2.701 5.048 2.703) 6.331 14.383 ( 1.151 -7.214 -13.192) 15.080 16.126 ( -4.464 22.287 22.637) 32.079 16.216 ( -3.311 14.208 33.003) 36.083 17.264 ( -5.238 25.911 -3.931) 26.726 17.880 ( 0.854 -1.541 -21.395) 21.467 18.196 ( 13.065 0.544 3.801) 13.618 18.302 ( 8.739 -6.445 5.463) 12.156 19.617 ( 10.573 -7.070 -3.888) 13.300 19.758 ( 4.362 -10.547 5.745) 12.778 20.995 ( -3.578 3.409 -7.632) 9.093 21.556 ( -8.286 -17.994 -20.173) 28.273 22.914 ( 11.622 1.282 -5.781) 13.044 23.065 ( 2.576 -5.322 -3.949) 7.110 ======================= Grid point 501 (267/312) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.562 ( 0.695 -11.261 4.516) 12.152 4.562 ( 0.695 11.261 4.516) 12.152 5.152 ( -1.131 -24.730 11.723) 27.392 5.152 ( -1.131 24.730 11.723) 27.392 5.694 ( 1.773 -12.897 -13.230) 18.561 5.694 ( 1.773 12.897 -13.230) 18.561 6.784 ( 5.854 -2.190 0.389) 6.262 6.784 ( 5.854 2.190 0.389) 6.262 7.491 ( 8.178 -1.138 13.473) 15.801 7.491 ( 8.178 1.138 13.473) 15.801 8.067 ( -6.321 -10.072 -10.561) 15.904 8.067 ( -6.321 10.072 -10.561) 15.904 8.587 ( -8.467 -4.874 -2.042) 9.981 8.587 ( -8.467 4.874 -2.042) 9.981 9.817 ( -0.686 -3.389 3.531) 4.942 9.817 ( -0.686 3.389 3.531) 4.942 11.977 ( -1.289 -3.902 4.326) 5.967 11.977 ( -1.289 3.902 4.326) 5.967 13.116 ( -11.555 -11.058 19.722) 25.392 13.116 ( -11.555 11.058 19.722) 25.392 13.746 ( 1.847 -2.315 -2.991) 4.209 13.746 ( 1.847 2.315 -2.991) 4.209 14.282 ( 8.264 -8.646 -12.553) 17.338 14.282 ( 8.264 8.646 -12.553) 17.338 16.392 ( -4.149 -3.262 34.287) 34.691 16.392 ( -4.149 3.262 34.287) 34.691 17.587 ( -4.548 -17.051 -14.378) 22.763 17.587 ( -4.548 17.051 -14.378) 22.763 18.430 ( 7.295 -0.876 5.300) 9.059 18.430 ( 7.295 0.876 5.300) 9.059 19.622 ( -1.121 -2.229 -1.068) 2.714 19.622 ( -1.121 2.229 -1.068) 2.714 21.086 ( -2.266 -10.695 -13.763) 17.577 21.086 ( -2.266 10.695 -13.763) 17.577 23.060 ( 3.209 -1.159 -6.445) 7.292 23.060 ( 3.209 1.159 -6.445) 7.292 ======================= Grid point 503 (268/312) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.559 ( -2.258 -6.595 0.984) 7.040 4.559 ( -2.258 6.595 0.984) 7.040 5.131 ( -4.540 -22.864 11.184) 25.855 5.131 ( -4.540 22.864 11.184) 25.855 5.615 ( -5.025 -9.406 -10.781) 15.164 5.615 ( -5.025 9.406 -10.781) 15.164 6.709 ( -10.934 -9.911 -6.383) 16.078 6.709 ( -10.934 9.911 -6.383) 16.078 7.804 ( 12.682 -4.483 8.650) 15.992 7.804 ( 12.682 4.483 8.650) 15.992 7.964 ( 2.970 -8.066 -8.500) 12.088 7.964 ( 2.970 8.066 -8.500) 12.088 8.537 ( 3.352 -11.214 6.903) 13.588 8.537 ( 3.352 11.214 6.903) 13.588 9.820 ( -0.204 -1.174 3.493) 3.691 9.820 ( -0.204 1.174 3.493) 3.691 11.964 ( -0.800 -4.390 3.801) 5.862 11.964 ( -0.800 4.390 3.801) 5.862 13.006 ( -7.664 -10.861 23.539) 27.033 13.006 ( -7.664 10.861 23.539) 27.033 13.858 ( 10.412 -4.383 -4.627) 12.208 13.858 ( 10.412 4.383 -4.627) 12.208 14.434 ( 11.584 -7.019 -12.503) 18.433 14.434 ( 11.584 7.019 -12.503) 18.433 16.429 ( -4.873 -5.064 37.048) 37.708 16.429 ( -4.873 5.064 37.048) 37.708 17.434 ( -5.756 -16.620 -14.236) 22.628 17.434 ( -5.756 16.620 -14.236) 22.628 18.507 ( -0.973 -1.224 -0.647) 1.692 18.507 ( -0.973 1.224 -0.647) 1.692 19.569 ( -3.375 -10.825 0.598) 11.354 19.569 ( -3.375 10.825 0.598) 11.354 21.017 ( -0.401 -5.625 -9.461) 11.014 21.017 ( -0.401 5.625 -9.461) 11.014 23.053 ( -1.217 -6.062 -8.579) 10.575 23.053 ( -1.217 6.062 -8.579) 10.575 ======================= Grid point 505 (269/312) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.468 ( -6.194 -4.378 -4.399) 8.768 4.468 ( -6.194 4.378 -4.399) 8.768 5.053 ( -7.144 -22.977 9.508) 25.872 5.053 ( -7.144 22.977 9.508) 25.872 5.463 ( -5.938 -9.153 -4.963) 11.986 5.463 ( -5.938 9.153 -4.963) 11.986 6.383 ( -16.174 -9.474 -12.533) 22.549 6.383 ( -16.174 9.474 -12.533) 22.549 7.890 ( 1.485 -13.315 -2.641) 13.655 7.890 ( 1.485 13.315 -2.641) 13.655 8.167 ( 10.585 -4.440 -0.147) 11.480 8.167 ( 10.585 4.440 -0.147) 11.480 8.781 ( 15.923 -15.222 13.910) 26.052 8.781 ( 15.923 15.222 13.910) 26.052 9.833 ( 0.274 -1.785 3.340) 3.796 9.833 ( 0.274 1.785 3.340) 3.796 12.009 ( 4.125 -3.544 6.146) 8.207 12.009 ( 4.125 3.544 6.146) 8.207 12.950 ( -5.820 -10.287 20.322) 23.509 12.950 ( -5.820 10.287 20.322) 23.509 14.071 ( 10.509 -6.181 -5.008) 13.180 14.071 ( 10.509 6.181 -5.008) 13.180 14.695 ( 19.273 -2.615 -8.302) 21.147 14.695 ( 19.273 2.615 -8.302) 21.147 16.447 ( -6.944 -6.030 38.518) 39.600 16.447 ( -6.944 6.030 38.518) 39.600 17.255 ( -7.486 -15.202 -12.237) 20.902 17.255 ( -7.486 15.202 -12.237) 20.902 18.398 ( -7.433 -2.032 -7.357) 10.654 18.398 ( -7.433 2.032 -7.357) 10.654 19.486 ( -5.968 -17.358 1.035) 18.385 19.486 ( -5.968 17.358 1.035) 18.385 21.017 ( 3.214 -7.681 -3.740) 9.128 21.017 ( 3.214 7.681 -3.740) 9.128 22.956 ( -4.702 -10.155 -11.353) 15.941 22.956 ( -4.702 10.155 -11.353) 15.941 ======================= Grid point 507 (270/312) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.293 ( -8.755 -5.886 -7.329) 12.845 4.293 ( -8.755 5.886 -7.329) 12.845 4.913 ( -8.554 -18.569 5.496) 21.170 4.913 ( -8.554 18.569 5.496) 21.170 5.365 ( -3.621 -7.665 -0.943) 8.530 5.365 ( -3.621 7.665 -0.943) 8.530 6.045 ( -11.674 -6.282 -12.771) 18.408 6.045 ( -11.674 6.282 -12.771) 18.408 7.899 ( -0.551 -14.292 1.791) 14.414 7.899 ( -0.551 14.292 1.791) 14.414 8.338 ( 7.468 -5.633 -2.762) 9.754 8.338 ( 7.468 5.633 -2.762) 9.754 9.168 ( 16.168 -10.125 10.802) 21.923 9.168 ( 16.168 10.125 10.802) 21.923 9.860 ( 1.321 -2.517 4.317) 5.169 9.860 ( 1.321 2.517 4.317) 5.169 12.171 ( 8.458 -2.636 10.116) 13.447 12.171 ( 8.458 2.636 10.116) 13.447 12.917 ( -3.371 -8.864 14.016) 16.923 12.917 ( -3.371 8.864 14.016) 16.923 14.214 ( 6.053 -8.656 -4.973) 11.674 14.214 ( 6.053 8.656 -4.973) 11.674 15.149 ( 27.052 -2.197 -2.992) 27.305 15.149 ( 27.052 2.197 -2.992) 27.305 16.400 ( -12.026 -8.393 38.551) 41.246 16.400 ( -12.026 8.393 38.551) 41.246 17.051 ( -8.929 -12.518 -8.768) 17.701 17.051 ( -8.929 12.518 -8.768) 17.701 18.204 ( -7.742 -6.269 -10.412) 14.410 18.204 ( -7.742 6.269 -10.412) 14.410 19.320 ( -10.170 -18.893 -2.678) 21.623 19.320 ( -10.170 18.893 -2.678) 21.623 21.127 ( 7.806 -11.986 2.574) 14.533 21.127 ( 7.806 11.986 2.574) 14.533 22.793 ( -6.733 -12.789 -14.712) 20.624 22.793 ( -6.733 12.789 -14.712) 20.624 ======================= Grid point 509 (271/312) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.091 ( -8.305 -4.989 -6.023) 11.408 4.091 ( -8.305 4.989 -6.023) 11.408 4.802 ( -2.776 -9.129 2.390) 9.836 4.802 ( -2.776 9.129 2.390) 9.836 5.262 ( -6.553 -0.679 -3.618) 7.516 5.262 ( -6.553 0.679 -3.618) 7.516 5.869 ( -1.923 -4.247 -8.212) 9.444 5.869 ( -1.923 4.247 -8.212) 9.444 7.882 ( -2.141 -14.480 4.755) 15.390 7.882 ( -2.141 14.480 4.755) 15.390 8.448 ( 4.461 -9.495 -3.276) 10.990 8.448 ( 4.461 9.495 -3.276) 10.990 9.445 ( 8.158 -3.767 3.718) 9.725 9.445 ( 8.158 3.767 3.718) 9.725 9.924 ( 3.108 -4.407 6.904) 8.760 9.924 ( 3.108 4.407 6.904) 8.760 12.372 ( 5.934 -4.500 14.939) 16.692 12.372 ( 5.934 4.500 14.939) 16.692 12.923 ( 0.991 -6.180 4.737) 7.850 12.923 ( 0.991 6.180 4.737) 7.850 14.301 ( 4.230 -9.603 -2.823) 10.866 14.301 ( 4.230 9.603 -2.823) 10.866 15.710 ( 28.250 -6.215 -0.028) 28.926 15.710 ( 28.250 6.215 -0.028) 28.926 16.211 ( -19.913 -12.050 34.235) 41.397 16.211 ( -19.913 12.050 34.235) 41.397 16.854 ( -8.296 -10.633 -1.582) 13.579 16.854 ( -8.296 10.633 -1.582) 13.579 18.048 ( -3.511 -9.309 -10.840) 14.714 18.048 ( -3.511 9.309 -10.840) 14.714 19.088 ( -10.418 -18.078 -5.683) 21.625 19.088 ( -10.418 18.078 -5.683) 21.625 21.330 ( 10.183 -14.858 6.908) 19.292 21.330 ( 10.183 14.858 6.908) 19.292 22.597 ( -6.688 -13.522 -18.304) 23.719 22.597 ( -6.688 13.522 -18.304) 23.719 ======================= Grid point 511 (272/312) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( -3.347 -0.956 -2.630) 4.362 3.951 ( -3.347 0.956 -2.630) 4.362 4.840 ( 6.053 -1.139 -0.932) 6.229 4.840 ( 6.053 1.139 -0.932) 6.229 5.095 ( -8.025 -5.439 -2.092) 9.918 5.095 ( -8.025 5.439 -2.092) 9.918 5.875 ( 4.070 -6.932 -7.553) 11.030 5.875 ( 4.070 6.932 -7.553) 11.030 7.853 ( -2.794 -13.265 6.933) 15.226 7.853 ( -2.794 13.265 6.933) 15.226 8.491 ( 1.153 -12.895 -3.732) 13.473 8.491 ( 1.153 12.895 -3.732) 13.473 9.525 ( -0.207 -3.400 0.636) 3.465 9.525 ( -0.207 3.400 0.636) 3.465 10.006 ( 1.700 -4.958 6.332) 8.220 10.006 ( 1.700 4.958 6.332) 8.220 12.471 ( -2.243 -8.205 18.096) 19.995 12.471 ( -2.243 8.205 18.096) 19.995 12.999 ( 6.441 -3.619 -4.671) 8.741 12.999 ( 6.441 3.619 -4.671) 8.741 14.354 ( 1.161 -6.582 -1.554) 6.861 14.354 ( 1.161 6.582 -1.554) 6.861 15.836 ( -26.631 -12.497 28.854) 41.206 15.836 ( -26.631 12.497 28.854) 41.206 16.222 ( 18.133 -11.468 -2.357) 21.584 16.222 ( 18.133 11.468 -2.357) 21.584 16.760 ( 0.739 -14.452 10.353) 17.793 16.760 ( 0.739 14.452 10.353) 17.793 17.995 ( 1.793 -7.784 -11.263) 13.808 17.995 ( 1.793 7.784 -11.263) 13.808 18.905 ( -5.035 -14.680 -4.609) 16.189 18.905 ( -5.035 14.680 -4.609) 16.189 21.552 ( 8.328 -15.727 7.594) 19.348 21.552 ( 8.328 15.727 7.594) 19.348 22.422 ( -2.940 -10.978 -20.509) 23.447 22.422 ( -2.940 10.978 -20.509) 23.447 ======================= Grid point 513 (273/312) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( 5.193 -8.848 -0.042) 10.260 3.963 ( 5.193 8.848 -0.042) 10.260 4.907 ( -4.447 -5.778 -0.385) 7.301 4.907 ( -4.447 5.778 -0.385) 7.301 5.068 ( 10.614 -10.626 1.309) 15.076 5.068 ( 10.614 10.626 1.309) 15.076 5.945 ( 5.577 -9.658 -9.996) 14.977 5.945 ( 5.577 9.658 -9.996) 14.977 7.813 ( -4.373 -10.876 8.863) 14.695 7.813 ( -4.373 10.876 8.863) 14.695 8.476 ( -0.864 -14.935 -4.823) 15.718 8.476 ( -0.864 14.935 -4.823) 15.718 9.471 ( -4.916 -5.559 0.903) 7.476 9.471 ( -4.916 5.559 0.903) 7.476 10.010 ( -3.190 -5.460 3.823) 7.389 10.010 ( -3.190 5.460 3.823) 7.389 12.421 ( -8.063 -7.998 14.758) 18.622 12.421 ( -8.063 7.998 14.758) 18.622 13.132 ( 8.680 -2.723 -7.940) 12.075 13.132 ( 8.680 2.723 -7.940) 12.075 14.312 ( -4.948 -3.838 -1.875) 6.537 14.312 ( -4.948 3.838 -1.875) 6.537 15.354 ( -29.377 -9.655 21.006) 37.383 15.354 ( -29.377 9.655 21.006) 37.383 16.346 ( -2.359 -4.730 8.055) 9.635 16.346 ( -2.359 4.730 8.055) 9.635 17.044 ( 18.938 -9.126 11.984) 24.198 17.044 ( 18.938 9.126 11.984) 24.198 18.009 ( 3.119 -1.282 -14.614) 14.998 18.009 ( 3.119 1.282 -14.614) 14.998 18.892 ( 4.998 -6.664 0.738) 8.363 18.892 ( 4.998 6.665 0.738) 8.363 21.658 ( -0.140 -16.891 -0.716) 16.906 21.658 ( -0.140 16.891 -0.716) 16.906 22.388 ( 6.754 -6.601 -15.076) 17.790 22.388 ( 6.754 6.601 -15.076) 17.790 ======================= Grid point 515 (274/312) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.143 ( 11.751 -14.925 0.681) 19.008 4.143 ( 11.751 14.925 0.681) 19.008 4.835 ( -2.559 -7.750 8.161) 11.542 4.835 ( -2.559 7.750 8.161) 11.542 5.334 ( 13.853 -14.903 -1.409) 20.396 5.334 ( 13.853 14.903 -1.409) 20.396 6.032 ( 7.336 -12.163 -10.776) 17.829 6.032 ( 7.336 12.163 -10.776) 17.829 7.726 ( -7.806 -7.243 9.927) 14.558 7.726 ( -7.806 7.243 9.927) 14.558 8.430 ( -1.885 -14.715 -6.090) 16.036 8.430 ( -1.885 14.715 -6.090) 16.036 9.346 ( -7.805 -4.039 0.240) 8.792 9.346 ( -7.805 4.039 0.240) 8.792 9.922 ( -5.951 -5.145 3.048) 8.436 9.922 ( -5.951 5.145 3.048) 8.436 12.274 ( -10.236 -5.765 9.193) 14.917 12.274 ( -10.236 5.765 9.193) 14.917 13.278 ( 8.290 -3.479 -7.963) 12.010 13.278 ( 8.290 3.479 -7.963) 12.010 14.154 ( -9.819 -9.217 0.385) 13.473 14.154 ( -9.819 9.217 0.385) 13.473 14.838 ( -27.186 -6.987 12.719) 30.817 14.838 ( -27.186 6.987 12.719) 30.817 16.323 ( -3.739 -1.943 18.719) 19.187 16.323 ( -3.739 1.943 18.719) 19.187 17.453 ( 16.404 -6.729 12.040) 21.432 17.453 ( 16.404 6.729 12.040) 21.432 17.996 ( 1.607 -6.189 -18.564) 19.634 17.996 ( 1.607 6.189 -18.564) 19.634 19.097 ( 13.148 -1.506 4.852) 14.095 19.097 ( 13.148 1.506 4.852) 14.095 21.560 ( -5.919 -19.171 -12.208) 23.486 21.560 ( -5.919 19.171 -12.208) 23.486 22.559 ( 12.484 -9.228 -6.891) 16.985 22.559 ( 12.484 9.228 -6.891) 16.985 ======================= Grid point 517 (275/312) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.375 ( 9.331 -16.103 1.129) 18.645 4.375 ( 9.331 16.103 1.129) 18.645 4.893 ( 4.763 -13.007 13.562) 19.385 4.893 ( 4.763 13.007 13.562) 19.385 5.554 ( 8.552 -14.703 -5.908) 18.006 5.554 ( 8.552 14.703 -5.908) 18.006 6.205 ( 13.668 -9.180 -5.842) 17.471 6.205 ( 13.668 9.180 -5.842) 17.471 7.579 ( -9.678 -4.078 9.987) 14.493 7.579 ( -9.678 4.078 9.987) 14.493 8.351 ( -3.967 -12.158 -6.342) 14.275 8.351 ( -3.967 12.158 -6.342) 14.275 9.144 ( -12.245 -3.706 -3.345) 13.223 9.144 ( -12.245 3.706 -3.345) 13.223 9.836 ( -3.151 -5.257 4.139) 7.395 9.836 ( -3.151 5.257 4.139) 7.395 12.104 ( -8.452 -3.820 5.561) 10.815 12.104 ( -8.452 3.820 5.561) 10.815 13.379 ( 2.713 -6.102 -4.623) 8.122 13.379 ( 2.713 6.102 -4.623) 8.122 13.952 ( -10.873 -10.435 6.335) 16.348 13.952 ( -10.873 10.435 6.335) 16.348 14.403 ( -17.090 -7.065 1.272) 18.537 14.403 ( -17.090 7.065 1.272) 18.537 16.330 ( -3.485 -1.929 25.459) 25.769 16.330 ( -3.485 1.929 25.459) 25.769 17.732 ( 5.346 -12.141 6.137) 14.617 17.732 ( 5.346 12.141 6.137) 14.617 17.999 ( 7.523 -1.450 -12.917) 15.019 17.999 ( 7.523 1.450 -12.917) 15.019 19.386 ( 12.544 -5.122 4.306) 14.217 19.386 ( 12.544 5.122 4.306) 14.217 21.379 ( -6.347 -18.755 -17.045) 26.126 21.379 ( -6.347 18.755 -17.045) 26.126 22.788 ( 11.561 -7.980 -4.529) 14.760 22.788 ( 11.561 7.980 -4.529) 14.760 ======================= Grid point 519 (276/312) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.506 ( 3.469 -14.327 4.104) 15.302 4.506 ( 3.469 14.327 4.104) 15.302 5.067 ( 5.450 -23.115 13.331) 27.234 5.067 ( 5.450 23.115 13.331) 27.234 5.655 ( 5.572 -14.742 -11.509) 19.515 5.655 ( 5.572 14.742 -11.509) 19.515 6.519 ( 16.991 -3.766 0.786) 17.421 6.519 ( 16.991 3.766 0.786) 17.421 7.446 ( -5.944 -5.014 10.601) 13.148 7.446 ( -5.944 5.014 10.601) 13.148 8.227 ( -6.038 -9.507 -6.674) 13.091 8.227 ( -6.038 9.507 -6.674) 13.091 8.848 ( -14.477 -5.429 -6.061) 16.607 8.848 ( -14.477 5.429 -6.061) 16.607 9.818 ( -0.774 -5.368 4.067) 6.779 9.818 ( -0.774 5.368 4.067) 6.779 12.000 ( -3.568 -2.903 4.900) 6.720 12.000 ( -3.568 2.903 4.900) 6.720 13.306 ( -10.220 -10.563 8.297) 16.878 13.306 ( -10.220 10.563 8.297) 16.878 13.792 ( -6.161 -4.459 3.499) 8.372 13.792 ( -6.162 4.459 3.499) 8.372 14.220 ( 0.131 -8.655 -9.150) 12.595 14.220 ( 0.131 8.655 -9.150) 12.595 16.357 ( -3.743 -1.179 30.359) 30.611 16.357 ( -3.743 1.179 30.359) 30.611 17.712 ( -3.114 -16.935 -10.974) 20.419 17.712 ( -3.114 16.935 -10.974) 20.419 18.212 ( 11.803 -2.137 4.240) 12.722 18.212 ( 11.803 2.137 4.240) 12.722 19.584 ( 5.640 -4.843 1.128) 7.518 19.584 ( 5.640 4.843 1.128) 7.518 21.207 ( -4.500 -16.024 -16.920) 23.734 21.207 ( -4.500 16.024 -16.920) 23.734 22.969 ( 7.852 -4.101 -4.955) 10.151 22.969 ( 7.852 4.101 -4.955) 10.151 ======================= Grid point 561 (277/312) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 4.478 0.000 -2.603) 5.179 3.385 ( -4.478 0.000 2.603) 5.179 3.806 ( -2.067 0.000 -1.329) 2.457 3.806 ( 2.067 0.000 1.329) 2.457 6.032 ( 2.324 0.000 -7.403) 7.759 6.032 ( -2.324 0.000 7.403) 7.759 6.756 ( 2.141 0.000 -19.517) 19.634 6.756 ( -2.141 0.000 19.517) 19.634 7.369 ( 0.561 0.000 -53.180) 53.183 7.369 ( -0.561 0.000 53.180) 53.183 8.366 ( -3.201 0.000 -15.605) 15.930 8.366 ( 3.201 0.000 15.605) 15.930 9.156 ( 1.070 0.000 -15.129) 15.167 9.156 ( -1.070 0.000 15.129) 15.167 9.721 ( -7.820 0.000 -4.689) 9.118 9.721 ( 7.820 0.000 4.689) 9.118 12.244 ( -15.820 0.000 -11.609) 19.623 12.244 ( 15.820 0.000 11.609) 19.623 12.835 ( -5.482 0.000 -24.933) 25.529 12.835 ( 5.482 0.000 24.933) 25.529 13.107 ( 6.834 0.000 -2.380) 7.236 13.107 ( -6.834 0.000 2.380) 7.236 13.920 ( -22.474 0.000 -2.660) 22.631 13.920 ( 22.474 0.000 2.660) 22.631 14.771 ( -21.894 0.000 0.498) 21.900 14.771 ( 21.894 0.000 -0.498) 21.900 16.883 ( 14.005 0.000 -48.140) 50.136 16.883 ( -14.005 0.000 48.140) 50.136 18.573 ( 0.498 0.000 -10.148) 10.160 18.573 ( -0.498 0.000 10.148) 10.160 20.454 ( -13.328 0.000 0.747) 13.349 20.454 ( 13.328 0.000 -0.747) 13.349 21.893 ( 4.681 0.000 -15.565) 16.253 21.893 ( -4.681 0.000 15.565) 16.253 23.041 ( 15.583 0.000 -12.874) 20.213 23.041 ( -15.583 0.000 12.874) 20.213 ======================= Grid point 563 (278/312) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 3.135 0.000 -18.752) 19.012 3.489 ( 11.564 0.000 -20.844) 23.837 3.929 ( 10.485 0.000 11.029) 15.218 4.040 ( 16.342 0.000 18.809) 24.916 5.994 ( -4.029 0.000 9.333) 10.165 6.018 ( -2.033 0.000 -3.787) 4.298 6.714 ( -0.053 0.000 -22.917) 22.917 6.799 ( -0.120 0.000 19.497) 19.497 7.266 ( 7.828 0.000 -47.325) 47.968 7.569 ( 1.462 0.000 48.118) 48.140 8.199 ( -7.092 0.000 -14.741) 16.358 8.414 ( -3.253 0.000 11.656) 12.102 9.099 ( -2.001 0.000 -16.230) 16.353 9.158 ( -5.755 0.000 14.238) 15.357 9.594 ( -0.812 0.000 -3.749) 3.836 9.887 ( 6.469 0.000 6.503) 9.173 11.941 ( -9.719 0.000 -8.125) 12.668 12.556 ( 7.012 0.000 12.800) 14.595 12.611 ( -6.381 0.000 -34.145) 34.736 12.935 ( -3.240 0.000 1.262) 3.477 13.110 ( 11.160 0.000 18.856) 21.911 13.132 ( -3.971 0.000 -4.040) 5.665 13.735 ( 3.368 0.000 8.787) 9.411 14.308 ( -18.698 0.000 2.151) 18.822 14.556 ( 31.378 0.000 6.093) 31.964 15.190 ( 20.230 0.000 -3.750) 20.575 16.763 ( -14.962 0.000 48.543) 50.797 16.986 ( 12.822 0.000 -45.726) 47.490 18.503 ( -3.453 0.000 -12.604) 13.069 18.555 ( -4.515 0.000 8.179) 9.343 19.976 ( -29.848 0.000 -3.622) 30.066 20.388 ( -17.764 0.000 -2.562) 17.948 22.036 ( 11.351 0.000 -13.200) 17.409 22.066 ( 14.788 0.000 17.393) 22.830 22.803 ( -12.577 0.000 14.327) 19.064 23.318 ( 15.425 0.000 -10.081) 18.427 ======================= Grid point 564 (279/312) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( 15.049 0.000 -19.783) 24.856 3.723 ( 18.077 0.000 -17.663) 25.274 4.245 ( 17.620 0.000 5.078) 18.337 4.526 ( 23.182 0.000 22.429) 32.256 5.925 ( -6.181 0.000 0.722) 6.223 5.940 ( -4.610 0.000 8.399) 9.581 6.578 ( -4.406 0.000 -25.597) 25.974 6.884 ( 1.175 0.000 19.549) 19.584 7.346 ( 14.104 0.000 -38.634) 41.128 7.686 ( -3.708 0.000 17.320) 17.713 8.055 ( -3.531 0.000 6.539) 7.431 8.326 ( -9.629 0.000 10.661) 14.365 8.944 ( -7.988 0.000 -13.606) 15.778 8.998 ( -11.056 0.000 3.487) 11.593 9.697 ( 9.336 0.000 2.212) 9.595 10.018 ( 3.897 0.000 8.264) 9.136 11.817 ( -0.610 0.000 -4.143) 4.188 12.380 ( -3.868 0.000 -31.299) 31.537 12.552 ( -7.253 0.000 3.949) 8.258 12.926 ( -2.605 0.000 21.028) 21.189 13.023 ( -3.516 0.000 -5.772) 6.758 13.508 ( 19.118 0.000 7.868) 20.674 13.923 ( -15.293 0.000 -2.594) 15.511 13.967 ( 13.373 0.000 9.347) 16.316 15.295 ( 36.063 0.000 8.756) 37.111 15.545 ( 17.417 0.000 -8.632) 19.439 16.635 ( -14.351 0.000 48.106) 50.201 17.084 ( 12.322 0.000 -39.940) 41.798 18.349 ( -6.850 0.000 -15.373) 16.830 18.450 ( -8.676 0.000 6.885) 11.076 19.334 ( -31.285 0.000 -5.091) 31.697 19.870 ( -30.582 0.000 -0.294) 30.584 22.193 ( 8.800 0.000 -14.437) 16.907 22.435 ( 8.368 0.000 18.827) 20.603 22.688 ( 1.416 0.000 12.349) 12.430 23.558 ( 11.062 0.000 -7.937) 13.615 ======================= Grid point 565 (280/312) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( 25.168 0.000 -11.509) 27.675 4.056 ( 19.199 0.000 -9.229) 21.302 4.648 ( 20.790 0.000 -0.377) 20.793 5.015 ( 13.994 0.000 15.857) 21.149 5.842 ( -0.397 0.000 8.210) 8.220 5.856 ( -5.914 0.000 1.049) 6.006 6.395 ( -4.745 0.000 -18.166) 18.775 6.952 ( -1.119 0.000 16.281) 16.319 7.508 ( 13.640 0.000 -33.310) 35.995 7.595 ( -5.275 0.000 2.627) 5.893 8.025 ( -5.687 0.000 0.096) 5.688 8.080 ( -18.441 0.000 8.965) 20.505 8.745 ( -8.062 0.000 7.288) 10.868 8.834 ( -4.029 0.000 -4.886) 6.333 9.901 ( 8.964 0.000 2.523) 9.312 10.100 ( 1.404 0.000 8.042) 8.164 11.872 ( 6.682 0.000 -2.810) 7.249 12.270 ( 3.070 0.000 -24.442) 24.634 12.396 ( -9.523 0.000 8.907) 13.039 12.917 ( -5.832 0.000 17.799) 18.730 12.967 ( 0.242 0.000 -6.659) 6.664 13.505 ( -14.447 0.000 4.201) 15.045 14.041 ( 19.472 0.000 -0.656) 19.483 14.265 ( 12.470 0.000 6.261) 13.954 15.829 ( 15.365 0.000 -15.753) 22.006 15.987 ( 27.385 0.000 7.848) 28.487 16.564 ( -6.851 0.000 45.751) 46.261 17.212 ( 13.049 0.000 -29.644) 32.389 18.136 ( -7.895 0.000 -18.313) 19.943 18.251 ( -13.858 0.000 6.715) 15.399 18.735 ( -25.388 0.000 -5.491) 25.975 19.235 ( -32.011 0.000 2.266) 32.091 22.288 ( 6.327 0.000 -16.601) 17.766 22.440 ( -6.852 0.000 19.339) 20.517 22.993 ( 16.563 0.000 11.620) 20.233 23.689 ( 4.635 0.000 -7.681) 8.971 ======================= Grid point 566 (281/312) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( 28.653 0.000 -4.165) 28.954 4.412 ( 18.321 0.000 -3.403) 18.634 4.987 ( 8.050 0.000 5.333) 9.656 5.056 ( -10.336 0.000 3.848) 11.030 5.719 ( -2.928 0.000 -14.618) 14.909 5.925 ( -2.415 0.000 1.760) 2.988 6.438 ( 16.247 0.000 12.022) 20.211 6.993 ( 1.981 0.000 11.675) 11.842 7.493 ( -10.434 0.000 1.086) 10.490 7.601 ( -3.086 0.000 -9.256) 9.757 7.720 ( -8.789 0.000 -16.017) 18.270 7.795 ( -9.486 0.000 -10.329) 14.024 8.715 ( -2.045 0.000 23.618) 23.707 8.785 ( 0.741 0.000 -9.966) 9.994 10.050 ( 5.419 0.000 -0.699) 5.464 10.133 ( -0.650 0.000 6.511) 6.543 12.020 ( 9.231 0.000 -11.270) 14.568 12.252 ( -9.122 0.000 16.277) 18.659 12.337 ( 9.892 0.000 -11.594) 15.241 12.796 ( -10.841 0.000 7.246) 13.040 12.991 ( 4.510 0.000 -6.838) 8.191 13.259 ( -11.378 0.000 6.958) 13.337 14.370 ( 12.375 0.000 -0.220) 12.377 14.474 ( 6.252 0.000 2.644) 6.788 16.053 ( 14.045 0.000 -24.676) 28.393 16.266 ( -4.015 0.000 29.166) 29.441 16.844 ( 20.622 0.000 20.192) 28.862 17.392 ( 11.679 0.000 -17.202) 20.792 17.934 ( -4.674 0.000 -21.555) 22.056 17.935 ( -19.050 0.000 9.472) 21.275 18.338 ( -11.130 0.000 -6.750) 13.017 18.646 ( -27.129 0.000 6.892) 27.991 22.336 ( 4.833 0.000 -18.401) 19.025 22.386 ( -5.308 0.000 19.621) 20.326 23.329 ( 12.543 0.000 11.023) 16.698 23.689 ( -1.661 0.000 -8.690) 8.847 ======================= Grid point 567 (282/312) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.737 ( -8.069 0.000 -1.471) 8.202 4.737 ( 8.069 0.000 1.471) 8.202 4.869 ( -12.782 0.000 1.357) 12.854 4.869 ( 12.782 0.000 -1.357) 12.854 5.770 ( 10.695 0.000 -9.541) 14.332 5.770 ( -10.695 0.000 9.541) 14.332 6.937 ( -20.030 0.000 -12.945) 23.850 6.937 ( 20.030 0.000 12.945) 23.850 7.312 ( 10.543 0.000 -6.168) 12.215 7.312 ( -10.543 0.000 6.168) 12.215 7.709 ( 5.146 0.000 -22.570) 23.149 7.709 ( -5.146 0.000 22.570) 23.149 8.762 ( 1.263 0.000 -17.408) 17.454 8.762 ( -1.263 0.000 17.408) 17.454 10.119 ( 2.616 0.000 -4.104) 4.867 10.119 ( -2.616 0.000 4.104) 4.867 12.141 ( 8.616 0.000 -19.354) 21.185 12.141 ( -8.616 0.000 19.354) 21.185 12.559 ( -13.297 0.000 2.213) 13.480 12.559 ( 13.297 0.000 -2.213) 13.480 13.093 ( 8.106 0.000 -7.902) 11.320 13.093 ( -8.106 0.000 7.902) 11.320 14.519 ( -2.589 0.000 0.596) 2.657 14.519 ( 2.589 0.000 -0.596) 2.657 16.210 ( 11.258 0.000 -31.994) 33.917 16.210 ( -11.258 0.000 31.994) 33.917 17.314 ( -16.906 0.000 -13.576) 21.682 17.314 ( 16.906 0.000 13.576) 21.682 17.796 ( -1.258 0.000 -21.673) 21.709 17.796 ( 1.258 0.000 21.673) 21.709 18.278 ( 10.078 0.000 -11.290) 15.134 18.278 ( -10.078 0.000 11.290) 15.134 22.360 ( 4.398 0.000 -19.435) 19.927 22.360 ( -4.398 0.000 19.435) 19.927 23.565 ( -7.332 0.000 -9.977) 12.382 23.565 ( 7.332 0.000 9.977) 12.382 ======================= Grid point 573 (283/312) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( 4.155 11.796 -9.114) 15.475 3.503 ( -4.155 11.796 9.114) 15.475 3.965 ( -9.293 14.683 -8.031) 19.143 3.965 ( 9.293 14.683 8.031) 19.143 5.998 ( 2.041 -3.297 -6.304) 7.401 5.998 ( -2.041 -3.297 6.304) 7.401 6.787 ( 2.185 3.145 -17.800) 18.207 6.787 ( -2.185 3.145 17.800) 18.207 7.386 ( -2.322 1.332 -46.712) 46.789 7.386 ( 2.322 1.332 46.712) 46.789 8.309 ( -0.828 -5.281 -16.497) 17.342 8.309 ( 0.828 -5.281 16.497) 17.342 9.112 ( 1.833 -4.837 -15.070) 15.933 9.112 ( -1.833 -4.837 15.070) 15.933 9.739 ( -4.541 2.114 -6.073) 7.872 9.739 ( 4.541 2.114 6.073) 7.872 12.339 ( -17.138 6.987 -12.303) 22.224 12.339 ( 17.138 6.987 12.303) 22.224 12.624 ( -5.138 -9.865 -20.549) 23.366 12.624 ( 5.138 -9.865 20.549) 23.366 13.371 ( -7.024 15.030 -10.548) 19.660 13.371 ( 7.024 15.030 10.548) 19.660 14.065 ( -23.274 14.713 -3.143) 27.713 14.065 ( 23.274 14.713 3.143) 27.713 14.783 ( -16.320 2.757 -3.760) 16.973 14.783 ( 16.320 2.757 3.760) 16.973 16.917 ( 12.656 3.379 -46.817) 48.615 16.917 ( -12.656 3.379 46.817) 48.615 18.561 ( 0.190 -1.157 -9.910) 9.979 18.561 ( -0.190 -1.157 9.910) 9.979 20.403 ( -8.775 -5.110 -0.285) 10.158 20.403 ( 8.775 -5.110 0.285) 10.158 21.795 ( 2.605 -9.290 -15.121) 17.937 21.795 ( -2.605 -9.290 15.121) 17.937 23.053 ( 13.312 0.859 -10.730) 17.119 23.053 ( -13.312 0.859 10.730) 17.119 ======================= Grid point 575 (284/312) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( -0.164 9.225 -15.119) 17.712 3.640 ( 12.661 14.045 -17.656) 25.871 3.917 ( 4.448 4.983 7.667) 10.168 4.291 ( 17.338 17.568 16.681) 29.791 5.904 ( -5.650 -5.811 4.202) 9.129 6.053 ( 0.518 0.581 0.658) 1.019 6.745 ( -0.208 3.420 -20.745) 21.026 6.817 ( -0.430 1.457 15.910) 15.982 7.235 ( 3.616 -2.513 -36.473) 36.738 7.644 ( 6.228 6.545 38.779) 39.818 8.156 ( -7.440 -4.480 -15.635) 17.885 8.305 ( -5.673 -9.522 9.096) 14.339 9.007 ( -6.307 -6.173 2.641) 9.212 9.238 ( 5.560 2.821 2.499) 6.717 9.616 ( -3.328 2.811 -5.403) 6.941 9.865 ( 4.761 -1.474 4.527) 6.733 12.015 ( -10.000 5.753 -9.851) 15.171 12.422 ( -5.787 -5.473 -18.863) 20.476 12.750 ( 4.781 2.279 18.103) 18.862 12.806 ( 17.418 -5.390 9.667) 20.637 13.194 ( -7.800 19.684 -12.254) 24.463 13.531 ( 3.241 20.743 5.342) 21.664 13.764 ( -2.874 5.857 6.760) 9.395 14.363 ( -17.679 1.690 -3.092) 18.027 14.655 ( 30.234 13.535 7.670) 34.002 15.184 ( 19.240 0.463 -1.275) 19.287 16.818 ( -13.250 5.334 45.360) 47.556 17.005 ( 11.795 2.020 -43.124) 44.753 18.481 ( -4.349 -1.907 -11.900) 12.812 18.550 ( -3.796 -0.737 6.969) 7.970 19.909 ( -30.507 -6.169 -1.223) 31.148 20.387 ( -14.450 -0.686 -5.813) 15.590 21.893 ( 10.363 -13.170 -8.353) 18.724 21.994 ( 13.966 -7.333 15.655) 22.224 22.820 ( -11.958 1.186 10.664) 16.066 23.312 ( 14.006 -0.834 -8.817) 16.571 ======================= Grid point 576 (285/312) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 10.694 3.373 -19.111) 22.158 3.888 ( 17.050 13.844 -13.848) 25.964 4.146 ( 15.025 -3.340 4.934) 16.163 4.736 ( 20.106 13.436 19.170) 30.859 5.803 ( -5.956 -6.605 3.857) 9.694 6.003 ( -6.147 1.384 2.803) 6.896 6.631 ( -2.904 5.863 -22.816) 23.736 6.885 ( 0.919 -0.572 17.988) 18.021 7.277 ( 11.435 -5.537 -29.687) 32.291 7.756 ( -6.339 3.192 -4.368) 8.334 8.024 ( -4.279 -1.750 12.848) 13.654 8.194 ( -4.604 -9.590 13.071) 16.852 8.854 ( -9.897 -1.161 2.904) 10.380 9.264 ( -2.823 15.897 -4.724) 16.823 9.647 ( 7.232 -4.671 0.212) 8.612 9.959 ( 2.788 -4.929 5.895) 8.175 11.880 ( -0.669 5.461 -6.870) 8.802 12.284 ( -1.579 -2.004 -13.590) 13.827 12.813 ( -1.530 -6.507 11.667) 13.446 12.958 ( -10.072 27.598 -9.682) 30.933 13.144 ( 7.416 11.389 10.597) 17.234 13.620 ( 5.235 8.457 6.118) 11.677 13.878 ( 3.735 2.288 0.894) 4.471 14.106 ( 0.158 8.857 1.899) 9.059 15.336 ( 33.268 4.016 7.030) 34.239 15.536 ( 17.106 0.244 -5.101) 17.852 16.711 ( -13.071 7.190 44.686) 47.110 17.093 ( 11.486 1.138 -37.713) 39.439 18.301 ( -9.036 -3.738 -13.965) 17.048 18.465 ( -6.422 0.337 4.315) 7.744 19.265 ( -31.885 -5.445 -2.429) 32.438 19.921 ( -27.540 3.952 -3.620) 28.056 22.043 ( 7.498 -13.789 -9.045) 18.115 22.374 ( 13.042 -6.995 17.271) 22.744 22.678 ( -2.985 -1.019 8.662) 9.218 23.525 ( 9.589 -3.432 -7.510) 12.654 ======================= Grid point 577 (286/312) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( 21.102 -3.673 -11.987) 24.545 4.197 ( 16.958 9.902 -6.724) 20.757 4.503 ( 18.316 -8.167 -1.674) 20.123 5.175 ( 13.877 9.077 15.615) 22.777 5.710 ( -2.744 -9.791 6.791) 12.227 5.858 ( -7.171 -1.240 -1.369) 7.405 6.486 ( -4.617 8.522 -15.486) 18.269 6.955 ( -0.118 -1.539 15.198) 15.276 7.411 ( 3.303 -10.883 -10.636) 15.572 7.570 ( 0.663 1.198 -19.956) 20.003 7.783 ( -18.018 -14.296 -4.880) 23.513 8.314 ( 2.521 14.987 14.704) 21.147 8.677 ( -7.096 2.694 11.632) 13.889 9.167 ( -3.776 20.704 -6.499) 22.026 9.815 ( 7.887 -7.767 0.755) 11.095 10.017 ( 0.820 -7.265 6.589) 9.842 11.925 ( 6.711 5.035 -5.792) 10.195 12.268 ( 2.775 2.851 -4.665) 6.131 12.666 ( -10.934 13.883 0.025) 17.672 12.902 ( 3.286 8.292 0.946) 8.969 13.191 ( -4.467 19.382 6.415) 20.899 13.512 ( -12.509 0.714 4.741) 13.397 14.119 ( 18.298 7.433 -2.002) 19.851 14.310 ( 11.640 5.273 5.705) 13.994 15.828 ( 15.460 0.087 -9.559) 18.177 15.995 ( 28.278 0.299 3.115) 28.450 16.631 ( -9.185 6.839 43.606) 45.085 17.210 ( 11.942 -0.113 -27.662) 30.130 18.026 ( -13.172 -7.049 -14.552) 20.856 18.342 ( -6.150 4.005 1.093) 7.420 18.647 ( -28.436 -5.392 -2.723) 29.070 19.334 ( -28.967 7.867 -0.964) 30.031 22.139 ( 5.142 -13.048 -6.658) 15.525 22.440 ( -5.404 -1.801 9.627) 11.186 22.905 ( 15.604 -8.681 11.770) 21.386 23.630 ( 3.461 -5.981 -7.710) 10.354 ======================= Grid point 578 (287/312) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.171 ( 25.147 -9.200 -3.700) 27.031 4.509 ( 15.638 3.626 -4.103) 16.569 4.770 ( 5.867 -10.978 1.259) 12.511 5.183 ( -13.457 3.833 2.376) 14.193 5.770 ( 1.886 4.188 -11.115) 12.027 5.871 ( 8.517 -8.187 9.712) 15.293 6.398 ( 2.396 -1.739 6.393) 7.045 7.002 ( 1.638 -6.510 5.559) 8.716 7.281 ( -10.571 -11.807 6.670) 17.194 7.320 ( -21.587 -14.315 -11.654) 28.403 7.735 ( 15.311 8.904 -23.236) 29.217 8.214 ( -11.720 21.624 1.348) 24.632 8.760 ( 6.152 9.172 19.597) 22.494 9.071 ( -3.855 20.286 -6.865) 21.760 9.945 ( 5.188 -9.178 -2.010) 10.732 10.036 ( -1.139 -8.581 6.106) 10.593 12.068 ( 9.484 4.724 -11.353) 15.529 12.303 ( -4.102 4.660 14.132) 15.436 12.541 ( 2.966 15.692 -5.472) 16.881 13.011 ( 2.072 16.027 5.890) 17.201 13.017 ( -7.776 8.521 -7.610) 13.821 13.321 ( -8.788 7.091 7.260) 13.425 14.431 ( 11.925 6.103 -0.551) 13.407 14.516 ( 6.607 4.969 2.493) 8.635 16.079 ( 14.586 2.837 -18.648) 23.844 16.337 ( -0.929 5.587 20.401) 21.172 16.795 ( 15.979 -3.838 23.206) 28.436 17.386 ( 12.751 -1.156 -14.363) 19.241 17.682 ( -15.828 -11.745 -12.430) 23.302 18.106 ( -23.238 -1.091 -0.798) 23.277 18.285 ( 1.045 4.217 -5.012) 6.633 18.795 ( -24.200 10.965 2.610) 26.697 22.212 ( 4.260 -10.766 -4.095) 12.281 22.360 ( -4.853 -4.110 5.235) 8.237 23.233 ( 12.420 -9.509 11.535) 19.436 23.610 ( -2.426 -7.946 -8.953) 12.214 ======================= Grid point 579 (288/312) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.607 ( -10.215 -11.583 -1.483) 15.515 4.607 ( 10.215 -11.583 1.483) 15.515 4.869 ( -3.360 0.233 -2.595) 4.252 4.869 ( 3.360 0.233 2.595) 4.252 5.857 ( 4.962 6.298 -13.844) 15.998 5.857 ( -4.962 6.298 13.844) 15.998 6.749 ( -21.346 -23.201 -22.514) 38.740 6.749 ( 21.346 -23.201 22.514) 38.740 7.136 ( 0.848 -2.285 -8.615) 8.953 7.136 ( -0.848 -2.285 8.615) 8.953 7.970 ( 8.073 17.210 -20.918) 28.266 7.970 ( -8.073 17.210 20.918) 28.266 8.944 ( -3.202 16.296 -16.347) 23.303 8.944 ( 3.202 16.296 16.347) 23.303 10.014 ( 3.008 -9.299 -4.488) 10.755 10.014 ( -3.008 -9.299 4.488) 10.755 12.204 ( 9.167 5.454 -17.633) 20.608 12.204 ( -9.167 5.454 17.633) 20.608 12.731 ( -9.696 14.034 -3.934) 17.505 12.731 ( 9.696 14.034 3.934) 17.505 13.170 ( 2.500 9.741 -6.770) 12.123 13.170 ( -2.500 9.741 6.770) 12.123 14.570 ( 1.294 5.543 -7.984) 9.806 14.570 ( -1.294 5.543 7.984) 9.806 16.268 ( 11.528 5.562 -27.621) 30.442 16.268 ( -11.528 5.562 27.621) 30.442 17.244 ( -19.321 -7.255 -13.486) 24.654 17.244 ( 19.321 -7.255 13.486) 24.654 17.694 ( 0.891 -6.744 -22.864) 23.854 17.694 ( -0.891 -6.744 22.864) 23.854 18.418 ( 3.849 11.125 -5.731) 13.093 18.418 ( -3.849 11.125 5.731) 13.093 22.284 ( 3.845 -7.513 -19.757) 21.484 22.284 ( -3.845 -7.513 19.757) 21.484 23.474 ( -7.539 -9.147 -10.562) 15.876 23.474 ( 7.539 -9.147 10.562) 15.876 ======================= Grid point 585 (289/312) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.828 ( 7.759 20.097 -8.187) 23.046 3.828 ( -7.759 20.097 8.187) 23.046 4.313 ( -12.143 18.717 -6.189) 23.153 4.313 ( 12.143 18.717 6.189) 23.153 5.914 ( -0.748 -4.707 -3.767) 6.075 5.914 ( 0.748 -4.707 3.767) 6.075 6.866 ( 3.306 3.737 -14.822) 15.640 6.866 ( -3.306 3.737 14.822) 15.640 7.411 ( -8.014 1.436 -31.670) 32.700 7.411 ( 8.014 1.436 31.670) 32.700 8.188 ( 2.186 -6.197 -19.984) 21.036 8.188 ( -2.186 -6.197 19.984) 21.036 8.962 ( 1.989 -9.784 -12.058) 15.655 8.962 ( -1.989 -9.784 12.058) 15.655 9.799 ( -2.490 3.319 -6.981) 8.121 9.799 ( 2.490 3.319 6.981) 8.121 12.293 ( -5.853 -8.618 -5.277) 11.678 12.293 ( 5.853 -8.618 5.277) 11.678 12.705 ( 5.409 13.943 -7.474) 16.719 12.705 ( -5.409 13.943 7.474) 16.719 13.579 ( -4.724 6.721 -4.719) 9.474 13.579 ( 4.724 6.721 4.719) 9.474 14.322 ( -4.169 4.451 -5.858) 8.457 14.322 ( 4.169 4.451 5.858) 8.457 15.066 ( -6.264 30.447 -10.072) 32.676 15.066 ( 6.264 30.447 10.072) 32.676 17.011 ( 9.175 5.769 -42.697) 44.051 17.011 ( -9.175 5.769 42.697) 44.051 18.532 ( -0.246 -1.531 -8.657) 8.795 18.532 ( 0.246 -1.531 8.657) 8.795 20.252 ( -3.095 -10.091 -0.361) 10.561 20.252 ( 3.095 -10.091 0.361) 10.561 21.557 ( -1.760 -13.962 -15.076) 20.623 21.557 ( 1.760 -13.962 15.076) 20.623 23.061 ( 7.589 -0.274 -6.317) 9.878 23.061 ( -7.589 -0.274 6.317) 9.878 ======================= Grid point 587 (290/312) ======================= q-point: ( 0.10 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( -5.477 16.576 -9.536) 19.892 3.998 ( 11.612 21.269 -12.613) 27.318 4.132 ( -3.547 15.340 2.537) 15.947 4.610 ( 12.586 12.580 13.270) 22.198 5.800 ( -5.108 -4.145 2.041) 6.887 6.029 ( 3.341 -2.891 0.765) 4.483 6.811 ( -2.218 -0.015 -0.719) 2.332 6.871 ( 0.200 5.898 -8.565) 10.401 7.191 ( -2.816 -1.644 -18.965) 19.243 7.763 ( 13.298 3.483 20.279) 24.499 8.032 ( -7.763 -7.307 -13.369) 17.099 8.133 ( -8.517 -4.635 8.986) 13.220 8.857 ( -3.466 -8.870 10.156) 13.922 9.208 ( 12.923 -5.576 4.035) 14.642 9.702 ( -3.697 4.792 -8.229) 10.216 9.862 ( 1.367 1.441 3.362) 3.905 12.082 ( -7.056 0.216 -9.837) 12.107 12.319 ( -2.011 -6.758 -10.478) 12.629 12.708 ( -0.153 5.783 20.303) 21.111 12.983 ( 18.325 12.243 2.303) 22.159 13.464 ( -3.148 6.220 1.048) 7.049 13.808 ( 12.993 10.236 0.817) 16.561 14.128 ( -10.392 22.073 -1.095) 24.421 14.325 ( -5.170 -4.448 -2.078) 7.130 15.096 ( 11.970 27.866 -2.457) 30.427 15.332 ( 14.704 20.256 6.990) 25.988 16.947 ( -7.727 6.693 25.633) 27.597 17.075 ( 7.365 5.442 -23.151) 24.897 18.440 ( -5.484 -1.952 -11.877) 13.227 18.521 ( -3.569 -2.142 4.942) 6.461 19.764 ( -28.935 -7.784 2.177) 30.042 20.334 ( -7.620 -5.277 -10.067) 13.685 21.562 ( 6.752 -19.097 -5.516) 20.993 21.791 ( 13.117 -12.780 16.913) 24.929 22.834 ( -11.689 0.197 5.198) 12.794 23.274 ( 10.519 -3.153 -6.449) 12.735 ======================= Grid point 588 (291/312) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 2.558 10.398 -16.420) 19.603 4.127 ( 3.699 8.539 9.681) 13.428 4.258 ( 16.021 15.478 -18.815) 29.158 4.895 ( 10.724 1.202 18.020) 21.004 5.715 ( -4.521 -2.023 1.234) 5.104 5.985 ( -7.670 -3.176 -1.226) 8.392 6.804 ( -5.163 -1.508 2.164) 5.798 6.831 ( 3.071 6.798 -4.604) 8.766 7.137 ( 3.005 -10.276 -17.464) 20.484 7.724 ( -5.415 -2.282 -23.796) 24.511 7.910 ( -13.377 -7.316 4.619) 15.931 8.239 ( 14.759 11.938 28.436) 34.190 8.838 ( -3.286 -2.159 10.847) 11.538 9.468 ( 10.858 -2.565 4.924) 12.195 9.602 ( -2.901 6.668 -10.045) 12.401 9.880 ( -0.332 -1.823 2.303) 2.956 11.988 ( 1.098 4.660 -9.050) 10.238 12.277 ( 1.541 -0.682 -4.227) 4.550 12.745 ( -2.664 1.298 16.433) 16.698 13.277 ( 6.253 10.327 -12.475) 17.360 13.481 ( 3.690 7.933 17.692) 19.737 13.920 ( -9.543 26.064 2.498) 27.868 14.048 ( 9.444 12.002 -4.487) 15.918 14.292 ( 7.281 10.090 -1.695) 12.558 15.430 ( 18.705 6.880 4.536) 20.440 15.669 ( 17.686 15.519 -0.418) 23.533 16.880 ( -8.726 8.587 30.062) 32.459 17.143 ( 7.392 4.384 -22.232) 23.836 18.226 ( -11.175 -3.595 -14.745) 18.847 18.435 ( -5.658 -3.424 0.484) 6.631 19.183 ( -28.808 -1.788 2.324) 28.956 19.979 ( -21.694 1.067 -8.803) 23.436 21.695 ( 7.019 -20.443 -3.748) 21.937 22.155 ( 14.971 -14.676 18.071) 27.679 22.645 ( -7.880 -2.136 3.108) 8.736 23.418 ( 5.862 -7.363 -6.736) 11.574 ======================= Grid point 589 (292/312) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( 13.004 1.318 -12.303) 17.950 4.275 ( 7.747 -1.678 5.289) 9.529 4.520 ( 15.027 9.512 -15.941) 23.883 5.187 ( 12.049 -8.722 20.642) 25.443 5.565 ( -12.742 -3.728 -0.375) 13.282 5.824 ( -3.431 -2.022 -4.987) 6.382 6.629 ( -11.553 -0.994 -4.248) 12.350 6.806 ( -7.575 -13.246 4.160) 15.816 7.159 ( 2.085 -8.806 -5.142) 10.408 7.585 ( -11.451 1.287 -6.045) 13.013 7.736 ( 8.620 10.583 -16.687) 21.558 8.615 ( 11.340 14.006 15.576) 23.820 8.794 ( -3.269 6.947 16.057) 17.798 9.518 ( -1.920 9.106 -10.806) 14.261 9.662 ( 7.009 -2.306 2.837) 7.905 9.875 ( -0.988 -5.534 2.949) 6.348 12.050 ( 7.505 6.993 -8.283) 13.185 12.347 ( 4.383 3.789 4.893) 7.584 12.725 ( -3.365 0.332 8.610) 9.250 13.236 ( -2.466 13.245 -7.558) 15.448 13.552 ( -3.688 5.353 4.321) 7.805 13.750 ( -7.200 33.381 7.983) 35.069 14.305 ( 16.683 10.828 -1.177) 19.924 14.523 ( 12.662 17.579 -0.653) 21.674 15.817 ( 17.112 -1.387 7.299) 18.656 16.041 ( 21.087 6.497 -10.091) 24.263 16.812 ( -9.407 10.200 35.333) 37.960 17.216 ( 6.946 0.952 -17.170) 18.546 17.902 ( -15.297 -5.207 -16.143) 22.840 18.298 ( -7.999 -7.002 -6.780) 12.609 18.670 ( -21.556 7.386 5.184) 23.369 19.480 ( -24.281 5.878 -6.096) 25.715 21.815 ( 6.053 -18.961 -0.900) 19.924 22.343 ( -3.778 -8.272 6.505) 11.181 22.672 ( 10.817 -13.748 10.293) 20.297 23.455 ( 0.391 -11.528 -7.907) 13.985 ======================= Grid point 590 (293/312) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.001 ( 19.418 -7.572 -5.348) 21.517 4.425 ( 3.787 -9.707 3.144) 10.884 4.716 ( 9.151 3.696 -9.854) 13.947 5.198 ( -18.200 -1.700 -1.777) 18.366 5.575 ( 16.918 -19.384 16.316) 30.465 5.833 ( 5.219 1.232 -6.119) 8.136 6.351 ( -14.722 -6.184 4.934) 16.714 6.559 ( -15.811 -29.294 -8.350) 34.320 7.178 ( 0.082 2.541 5.858) 6.386 7.340 ( -8.646 9.277 -4.220) 13.365 7.995 ( 19.338 16.523 -18.195) 31.273 8.573 ( -11.867 14.122 8.980) 20.516 9.026 ( 12.143 15.046 17.343) 25.973 9.434 ( -3.312 12.049 -10.983) 16.637 9.773 ( 3.832 -4.260 0.420) 5.745 9.860 ( -1.576 -7.339 3.031) 8.095 12.195 ( 9.544 7.657 -11.261) 16.629 12.417 ( -3.411 6.653 16.793) 18.382 12.730 ( 5.089 2.919 -1.626) 6.087 13.135 ( -7.358 4.783 -4.668) 9.940 13.479 ( -0.077 22.278 0.543) 22.285 13.668 ( -5.394 28.817 6.663) 30.065 14.611 ( 11.837 12.504 3.106) 17.496 14.726 ( 7.303 17.840 -3.407) 19.576 16.156 ( 15.696 3.767 -3.257) 16.467 16.387 ( 12.596 -1.742 -4.591) 13.519 16.787 ( -2.384 4.972 34.042) 34.485 17.306 ( 5.203 -7.226 -9.546) 13.054 17.531 ( -13.639 -2.653 -14.413) 20.020 17.983 ( -19.158 -6.650 -7.176) 21.512 18.486 ( 1.107 12.085 2.397) 12.370 19.003 ( -20.964 9.281 -2.737) 23.089 21.939 ( 6.340 -16.253 1.204) 17.487 22.223 ( -7.229 -9.213 0.033) 11.711 22.964 ( 11.934 -17.322 12.665) 24.553 23.382 ( -4.489 -14.838 -9.682) 18.277 ======================= Grid point 591 (294/312) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.350 ( -5.139 -13.223 -2.049) 14.334 4.350 ( 5.139 -13.223 2.049) 14.334 4.878 ( 0.048 0.637 -3.228) 3.291 4.878 ( -0.048 0.637 3.228) 3.291 5.904 ( 3.596 -5.226 -16.802) 17.960 5.904 ( -3.596 -5.226 16.802) 17.960 6.217 ( -5.389 -24.388 -18.870) 31.303 6.217 ( 5.389 -24.388 18.870) 31.303 7.218 ( 0.031 8.729 -11.810) 14.685 7.218 ( -0.031 8.729 11.810) 14.685 8.315 ( 10.631 17.052 -18.270) 27.159 8.315 ( -10.631 17.052 18.270) 27.159 9.283 ( -6.013 14.588 -15.598) 22.187 9.283 ( 6.013 14.588 15.598) 22.187 9.830 ( 1.102 -6.635 -3.394) 7.533 9.830 ( -1.102 -6.635 3.394) 7.533 12.335 ( 8.567 7.569 -16.711) 20.247 12.335 ( -8.567 7.569 16.711) 20.247 12.916 ( -10.723 3.912 -2.918) 11.781 12.916 ( 10.723 3.912 2.918) 11.781 13.560 ( -0.201 26.759 -5.697) 27.360 13.560 ( 0.201 26.759 5.697) 27.360 14.767 ( 0.605 15.501 -11.586) 19.362 14.767 ( -0.605 15.501 11.586) 19.362 16.397 ( 10.460 6.070 -13.791) 18.342 16.397 ( -10.460 6.070 13.791) 18.342 17.054 ( -15.950 -10.077 -19.431) 27.084 17.054 ( 15.950 -10.077 19.431) 27.084 17.605 ( -1.467 -2.191 -21.227) 21.390 17.605 ( 1.467 -2.191 21.227) 21.390 18.647 ( -11.684 11.238 -1.530) 16.283 18.647 ( 11.684 11.238 1.530) 16.283 22.077 ( 2.169 -12.811 -20.543) 24.307 22.077 ( -2.169 -12.811 20.543) 24.307 23.213 ( -8.195 -16.893 -11.956) 22.259 23.213 ( 8.195 -16.893 11.956) 22.259 ======================= Grid point 597 (295/312) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.244 ( -1.721 20.139 -4.940) 20.808 4.244 ( 1.721 20.139 4.940) 20.808 4.658 ( 6.371 16.184 -6.319) 18.505 4.658 ( -6.371 16.184 6.319) 18.505 5.829 ( -4.084 -3.951 -2.502) 6.209 5.829 ( 4.084 -3.951 2.502) 6.209 6.880 ( 4.113 -2.820 -11.921) 12.922 6.880 ( -4.113 -2.820 11.921) 12.922 7.478 ( -12.362 6.005 -18.409) 22.973 7.478 ( 12.362 6.005 18.409) 22.973 8.079 ( -0.682 -5.129 -23.141) 23.713 8.079 ( 0.682 -5.129 23.141) 23.713 8.758 ( 2.502 -9.890 -6.008) 11.839 8.758 ( -2.502 -9.890 6.008) 11.839 9.848 ( -2.471 1.414 -5.682) 6.355 9.848 ( 2.471 1.414 5.682) 6.355 12.139 ( 1.494 -6.385 -6.227) 9.043 12.139 ( -1.494 -6.385 6.227) 9.043 13.003 ( 7.814 15.143 -14.942) 22.663 13.003 ( -7.814 15.143 14.942) 22.663 13.668 ( 7.025 2.510 -4.141) 8.532 13.668 ( -7.025 2.510 4.141) 8.532 14.282 ( 3.074 -5.295 -11.207) 12.770 14.282 ( -3.074 -5.295 11.207) 12.770 15.839 ( -1.795 42.208 -13.696) 44.411 15.839 ( 1.795 42.208 13.696) 44.411 17.130 ( 5.013 5.859 -35.937) 36.755 17.130 ( -5.013 5.859 35.937) 36.755 18.508 ( -0.287 -0.724 -5.623) 5.677 18.508 ( 0.287 -0.724 5.623) 5.677 20.013 ( -9.899 -13.643 2.111) 16.988 20.013 ( 9.899 -13.643 -2.111) 16.988 21.274 ( -4.812 -13.943 -15.217) 21.192 21.274 ( 4.812 -13.943 15.217) 21.192 23.041 ( 0.407 -1.526 -2.097) 2.625 23.041 ( -0.407 -1.526 2.097) 2.625 ======================= Grid point 599 (296/312) ======================= q-point: ( 0.10 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( -9.249 18.776 -8.229) 22.490 4.424 ( 10.153 19.389 -12.133) 25.025 4.495 ( -9.689 21.604 11.407) 26.281 4.757 ( 2.725 3.761 2.971) 5.514 5.730 ( -3.381 -4.024 0.248) 5.261 5.949 ( 3.094 -5.239 -0.240) 6.089 6.726 ( -9.577 -8.626 5.401) 13.975 6.950 ( 3.598 -1.686 -11.310) 11.988 7.212 ( -8.252 6.528 -13.234) 16.907 7.799 ( 7.733 2.983 5.484) 9.938 7.890 ( -3.740 -5.794 -15.704) 17.152 8.169 ( 3.853 4.891 16.855) 17.969 8.681 ( -0.639 -7.955 12.779) 15.066 9.049 ( 15.439 -9.622 4.826) 18.821 9.775 ( -2.146 2.576 -7.293) 8.027 9.898 ( 0.596 1.304 3.548) 3.827 12.055 ( -2.772 -2.022 -2.131) 4.039 12.176 ( 1.626 -6.669 -4.312) 8.106 12.919 ( -5.536 13.051 17.635) 22.627 13.243 ( 16.694 13.626 -6.913) 22.630 13.522 ( -5.436 0.810 7.399) 9.217 13.973 ( 19.305 5.521 -5.033) 20.700 14.212 ( -2.291 -5.794 0.228) 6.235 14.338 ( 2.937 0.440 -3.927) 4.924 15.775 ( -0.069 40.103 -7.318) 40.766 15.963 ( 5.579 37.209 9.454) 38.794 17.060 ( -2.012 4.885 -5.249) 7.447 17.210 ( 1.599 7.031 11.725) 13.765 18.409 ( -6.769 -1.179 -11.190) 13.131 18.475 ( -4.333 -2.169 0.106) 4.847 19.622 ( -22.099 -6.243 4.367) 23.375 20.161 ( -1.023 -12.364 -9.560) 15.662 21.191 ( 1.976 -16.985 -4.977) 17.810 21.507 ( 10.943 -15.513 17.104) 25.553 22.837 ( -11.278 0.420 1.408) 11.374 23.186 ( 5.920 -5.642 -4.610) 9.387 ======================= Grid point 600 (297/312) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.847 ( -5.245 14.981 -12.964) 20.494 4.342 ( -6.835 13.224 7.080) 16.484 4.601 ( 10.751 17.993 -16.627) 26.755 4.826 ( 2.253 -5.817 13.189) 14.590 5.670 ( -3.978 -4.256 0.663) 5.863 5.889 ( -6.992 -6.032 -5.451) 10.723 6.547 ( -12.249 -18.227 12.295) 25.168 6.833 ( -13.156 -17.948 -12.620) 25.583 7.142 ( 6.935 17.199 -9.608) 20.886 7.763 ( 3.859 4.628 -22.480) 23.273 7.886 ( -2.299 5.481 5.545) 8.128 8.471 ( 15.783 7.921 18.060) 25.259 8.763 ( 3.189 -3.076 16.202) 16.797 9.330 ( 9.511 -8.297 3.637) 13.135 9.736 ( 1.675 4.710 -6.851) 8.481 9.895 ( -1.713 2.099 1.838) 3.274 12.055 ( 4.020 2.300 -3.366) 5.725 12.228 ( 5.352 -3.577 -0.791) 6.486 12.865 ( -6.331 9.461 17.303) 20.712 13.422 ( -2.060 2.272 -1.190) 3.290 13.581 ( 10.391 7.393 3.325) 13.179 14.190 ( 5.114 3.951 -2.674) 6.994 14.325 ( 8.109 9.749 -6.405) 14.207 14.497 ( 20.039 7.176 0.860) 21.302 15.785 ( 2.475 30.266 -0.768) 30.377 16.118 ( 7.724 27.660 1.249) 28.745 17.015 ( -2.523 5.358 5.402) 8.016 17.263 ( -0.658 6.497 10.727) 12.558 18.164 ( -12.434 -2.565 -15.833) 20.295 18.350 ( -6.856 -4.402 -5.469) 9.813 19.204 ( -20.875 3.475 6.055) 22.011 19.937 ( -15.330 -5.769 -11.993) 20.301 21.282 ( 6.593 -19.603 0.162) 20.683 21.815 ( 12.759 -19.247 18.462) 29.565 22.613 ( -10.795 -0.445 -0.736) 10.829 23.237 ( 1.025 -10.701 -6.183) 12.402 ======================= Grid point 601 (298/312) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( 3.041 6.885 -11.353) 13.621 4.275 ( -1.970 2.173 3.409) 4.498 4.728 ( 7.530 10.331 -15.422) 20.032 4.963 ( 6.378 -10.783 15.679) 20.069 5.482 ( -14.790 -5.850 -4.108) 16.427 5.775 ( -0.576 -3.031 -3.372) 4.570 6.297 ( -16.870 -25.100 10.604) 32.048 6.483 ( -15.744 -18.357 -9.153) 25.858 7.268 ( 5.708 14.544 -0.839) 15.647 7.704 ( -5.206 9.367 -5.286) 11.949 8.007 ( 15.452 14.082 -13.259) 24.756 8.727 ( 2.578 -4.281 11.289) 12.346 8.980 ( 12.618 12.110 18.431) 25.408 9.438 ( 2.622 -6.267 -4.255) 8.016 9.793 ( 3.667 3.989 -2.988) 6.188 9.864 ( -0.987 5.461 2.427) 6.056 12.179 ( 9.064 5.720 -4.775) 11.733 12.384 ( 8.973 -0.044 4.266) 9.935 12.789 ( -6.296 6.363 12.916) 15.714 13.330 ( -7.039 -1.008 3.288) 7.834 13.732 ( 5.998 10.980 -3.199) 12.914 14.233 ( -0.830 11.090 -1.354) 11.204 14.579 ( 18.505 17.293 0.610) 25.335 14.946 ( 21.521 18.825 -3.610) 28.820 15.879 ( 6.686 12.608 6.349) 15.620 16.275 ( 9.379 16.408 -9.913) 21.341 16.989 ( -4.973 7.448 20.241) 22.134 17.249 ( -3.800 1.953 7.444) 8.583 17.830 ( -14.314 -1.844 -16.989) 22.292 18.165 ( -8.950 -5.488 -12.009) 15.951 18.857 ( -14.937 10.251 7.801) 19.725 19.538 ( -19.066 -0.562 -11.334) 22.187 21.431 ( 7.576 -18.253 3.503) 20.071 22.085 ( 5.369 -18.238 12.644) 22.832 22.443 ( -3.258 -7.298 1.533) 8.138 23.184 ( -3.689 -15.513 -8.226) 17.942 ======================= Grid point 602 (299/312) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( 10.906 -3.133 -6.384) 13.019 4.251 ( -2.924 -7.238 1.697) 7.989 4.804 ( 4.689 4.336 -8.863) 10.925 5.102 ( -9.903 -10.262 0.295) 14.264 5.233 ( 6.640 -10.562 6.923) 14.268 5.805 ( 1.751 -5.060 1.634) 5.599 5.958 ( -16.091 -26.325 -3.925) 31.102 6.179 ( -12.985 -11.845 0.782) 17.593 7.361 ( 3.587 14.025 3.829) 14.974 7.572 ( -5.718 13.473 -4.431) 15.292 8.309 ( 17.944 12.721 -14.895) 26.565 8.726 ( -6.163 -0.021 13.004) 14.390 9.271 ( 9.405 8.949 11.426) 17.294 9.453 ( 1.115 -2.993 -6.884) 7.589 9.812 ( 0.942 3.061 -0.503) 3.242 9.885 ( 0.279 9.606 1.449) 9.719 12.351 ( 9.665 7.659 -8.232) 14.827 12.555 ( 0.984 6.575 13.884) 15.393 12.749 ( 3.132 0.828 2.218) 3.926 13.164 ( -10.009 -1.185 -0.029) 10.079 13.861 ( 7.643 15.738 1.177) 17.535 14.171 ( -4.855 16.997 -1.457) 17.737 14.955 ( 16.537 21.903 2.852) 27.593 15.236 ( 7.658 31.410 -6.141) 32.908 16.133 ( 15.633 -5.403 9.818) 19.234 16.414 ( 8.437 6.342 -15.370) 18.645 16.934 ( -9.566 7.575 31.497) 33.778 17.163 ( -6.873 -5.901 -6.648) 11.236 17.539 ( -6.597 2.813 -6.829) 9.903 17.892 ( -13.051 -2.141 -14.225) 19.423 18.717 ( -1.310 10.459 7.702) 13.054 19.136 ( -16.560 3.485 -9.375) 19.346 21.611 ( 8.792 -15.332 5.423) 18.487 22.026 ( -8.962 -9.917 -2.305) 13.564 22.578 ( 10.062 -20.458 12.510) 26.005 23.039 ( -7.301 -19.304 -10.482) 23.148 ======================= Grid point 603 (300/312) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( -5.442 -9.928 -0.362) 11.327 4.116 ( 5.442 -9.928 0.362) 11.327 4.889 ( -0.456 0.250 -2.471) 2.525 4.889 ( 0.456 0.250 2.471) 2.525 5.545 ( -16.504 -23.414 -5.769) 29.221 5.545 ( 16.504 -23.414 5.769) 29.221 5.964 ( 4.452 -6.692 -9.591) 12.514 5.964 ( -4.452 -6.692 9.591) 12.514 7.454 ( -0.498 14.378 -12.452) 19.027 7.454 ( 0.498 14.378 12.452) 19.027 8.577 ( 11.571 7.179 -15.425) 20.576 8.577 ( -11.571 7.179 15.425) 20.576 9.419 ( -0.935 1.344 -10.526) 10.653 9.419 ( 0.935 1.344 10.526) 10.653 9.857 ( 0.800 8.016 -6.538) 10.375 9.857 ( -0.800 8.016 6.538) 10.375 12.496 ( 6.988 8.488 -16.717) 20.008 12.496 ( -6.988 8.488 16.717) 20.008 12.940 ( -6.609 -0.766 -5.977) 8.944 12.940 ( 6.609 -0.766 5.977) 8.944 14.031 ( -7.898 18.138 -2.920) 19.997 14.031 ( 7.898 18.138 2.920) 19.997 15.214 ( -6.144 28.792 -5.811) 30.008 15.214 ( 6.144 28.792 5.811) 30.008 16.437 ( -4.414 -3.085 -10.235) 11.566 16.437 ( 4.414 -3.085 10.235) 11.566 16.932 ( -2.588 -1.264 -31.082) 31.215 16.932 ( 2.588 -1.264 31.082) 31.215 17.604 ( -5.357 2.427 -16.819) 17.817 17.604 ( 5.357 2.427 16.819) 17.817 18.837 ( -7.058 7.137 -11.003) 14.893 18.837 ( 7.058 7.137 11.003) 14.893 21.817 ( -0.782 -12.018 -20.751) 23.993 21.817 ( 0.782 -12.018 20.751) 23.993 22.827 ( -9.071 -21.464 -13.239) 26.800 22.827 ( 9.071 -21.464 13.239) 26.800 ======================= Grid point 609 (301/312) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.534 ( -4.091 8.044 -10.014) 13.480 4.534 ( 4.091 8.044 10.014) 13.480 5.003 ( 1.614 19.581 -16.956) 25.952 5.003 ( -1.614 19.581 16.956) 25.952 5.715 ( -2.699 -9.150 -6.418) 11.498 5.715 ( 2.699 -9.150 6.418) 11.498 6.806 ( 1.553 -2.804 -3.765) 4.945 6.806 ( -1.553 -2.804 3.765) 4.945 7.627 ( -12.463 7.993 -13.469) 20.016 7.627 ( 12.463 7.993 13.469) 20.016 7.963 ( -6.653 -6.837 -20.358) 22.483 7.963 ( 6.653 -6.837 20.358) 22.483 8.608 ( 4.352 -4.730 -2.719) 6.979 8.608 ( -4.352 -4.730 2.719) 6.979 9.856 ( -1.736 -0.289 -3.155) 3.613 9.856 ( 1.736 -0.289 3.155) 3.613 12.045 ( 1.355 -3.150 -3.951) 5.231 12.045 ( -1.355 -3.150 3.951) 5.231 13.282 ( 5.632 12.597 -17.836) 22.551 13.282 ( -5.632 12.597 17.836) 22.551 13.670 ( 1.752 -2.642 -8.556) 9.124 13.670 ( -1.752 -2.642 8.556) 9.124 14.181 ( 3.532 -3.991 -9.010) 10.468 14.181 ( -3.532 -3.991 9.010) 10.468 16.587 ( -0.734 30.504 -14.325) 33.708 16.587 ( 0.734 30.504 14.325) 33.708 17.219 ( 1.839 2.495 -26.674) 26.853 17.219 ( -1.839 2.495 26.674) 26.853 18.509 ( -0.384 0.817 -1.563) 1.805 18.509 ( 0.384 0.817 1.563) 1.805 19.744 ( -7.085 -12.202 0.370) 14.115 19.744 ( 7.085 -12.202 -0.370) 14.115 21.037 ( -4.078 -9.179 -11.019) 14.910 21.037 ( 4.078 -9.179 11.019) 14.910 23.010 ( -2.619 -1.368 -0.044) 2.955 23.010 ( 2.619 -1.368 0.044) 2.955 ======================= Grid point 611 (302/312) ======================= q-point: ( 0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.364 ( -8.478 12.937 -7.561) 17.217 4.643 ( 1.208 -1.238 8.194) 8.375 4.858 ( -7.696 19.968 -3.157) 21.631 5.027 ( -1.400 23.136 -3.033) 23.376 5.590 ( -4.627 -11.267 -1.142) 12.234 5.797 ( 0.418 -11.440 0.895) 11.482 6.544 ( -16.427 -5.859 0.965) 17.468 6.806 ( -8.769 -11.092 -8.054) 16.273 7.432 ( -0.562 13.518 -11.151) 17.533 7.803 ( 0.954 -3.217 -19.268) 19.558 7.918 ( 8.996 7.154 9.703) 15.042 8.195 ( 10.107 -3.830 13.277) 17.120 8.604 ( 3.831 1.298 12.466) 13.106 8.856 ( 15.264 -9.298 5.864) 18.810 9.815 ( -0.979 1.808 -3.421) 3.991 9.896 ( 0.996 -1.448 2.312) 2.904 12.022 ( -0.152 -1.004 2.069) 2.305 12.071 ( 2.136 -3.841 -0.883) 4.483 13.173 ( -6.897 11.997 12.768) 18.829 13.485 ( 3.748 1.765 5.561) 6.935 13.524 ( 3.782 7.925 -4.222) 9.743 13.958 ( 16.379 -7.477 -0.361) 18.009 14.165 ( 4.543 1.856 -3.049) 5.777 14.287 ( 8.756 -3.681 -8.766) 12.925 16.513 ( -1.405 30.677 -14.144) 33.810 16.635 ( 0.110 27.243 6.911) 28.106 17.148 ( -1.612 4.286 -4.137) 6.171 17.307 ( -0.153 1.903 22.704) 22.784 18.396 ( -8.193 0.165 -10.603) 13.401 18.447 ( -5.596 -0.788 -5.764) 8.072 19.531 ( -11.796 -2.199 3.848) 12.601 19.862 ( 1.305 -16.583 -3.968) 17.101 20.952 ( -0.473 -5.905 -2.955) 6.620 21.201 ( 7.193 -14.566 13.744) 21.279 22.864 ( -9.069 2.611 -0.892) 9.479 23.062 ( 0.622 -6.511 -3.406) 7.375 ======================= Grid point 612 (303/312) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.150 ( -9.458 14.782 -8.585) 19.536 4.540 ( -11.916 -0.039 3.278) 12.359 4.793 ( -0.132 10.139 5.844) 11.703 4.973 ( -0.079 18.100 -12.876) 22.213 5.510 ( -4.682 -11.745 -0.076) 12.644 5.741 ( -5.035 -10.968 -0.073) 12.068 6.203 ( -17.661 -11.528 3.619) 21.399 6.473 ( -17.686 -17.211 -8.725) 26.175 7.488 ( 6.577 16.869 -6.405) 19.205 7.846 ( 7.410 2.046 -15.413) 17.224 8.051 ( 4.512 9.195 3.681) 10.884 8.422 ( 6.955 -9.421 9.189) 14.886 8.848 ( 14.264 8.953 16.452) 23.543 9.169 ( 12.211 -7.757 5.141) 15.352 9.809 ( 1.932 3.166 -2.612) 4.537 9.911 ( 0.151 -0.848 1.512) 1.740 12.088 ( 6.218 1.300 2.140) 6.703 12.161 ( 7.066 -2.923 2.193) 7.955 13.071 ( -7.987 10.530 13.372) 18.801 13.389 ( -7.279 -4.478 8.353) 11.951 13.773 ( 11.930 10.828 -5.139) 16.911 14.162 ( 6.824 -6.148 -0.143) 9.186 14.456 ( 19.931 4.670 -9.441) 22.542 14.546 ( 23.700 -0.149 -4.382) 24.102 16.431 ( -2.628 29.051 -10.421) 30.975 16.636 ( -0.198 20.490 -5.331) 21.173 17.128 ( -1.976 7.215 11.769) 13.945 17.348 ( -5.006 1.448 26.328) 26.838 18.136 ( -11.948 0.281 -16.809) 20.625 18.275 ( -8.065 -3.551 -9.848) 13.215 19.297 ( -13.232 5.800 3.959) 14.980 19.743 ( -10.129 -13.434 -9.591) 19.366 21.010 ( 5.607 -5.613 4.223) 8.988 21.421 ( 9.294 -19.659 16.357) 27.210 22.650 ( -11.292 4.573 -3.217) 12.600 23.010 ( -4.136 -11.784 -5.696) 13.727 ======================= Grid point 613 (304/312) ======================= q-point: ( 0.30 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( -5.716 11.148 -8.440) 15.106 4.312 ( -10.472 -1.114 0.479) 10.542 4.815 ( -0.394 0.986 9.176) 9.237 4.942 ( 1.362 7.499 -14.014) 15.952 5.340 ( -10.903 -7.455 -6.018) 14.515 5.646 ( -6.395 -14.824 6.295) 17.328 5.886 ( -12.917 -8.729 -0.952) 15.619 6.144 ( -12.295 -15.034 -1.025) 19.449 7.592 ( 4.836 16.883 -1.687) 17.643 7.892 ( 0.100 7.559 -5.566) 9.388 8.211 ( 11.998 5.989 -7.322) 15.278 8.545 ( 2.534 -11.748 9.689) 15.438 9.192 ( 13.131 8.621 10.251) 18.757 9.358 ( 6.564 -2.005 0.424) 6.876 9.863 ( 2.764 3.677 -0.375) 4.615 9.944 ( 3.250 1.328 2.349) 4.225 12.271 ( 10.675 3.583 0.799) 11.288 12.364 ( 11.426 -1.619 4.417) 12.357 12.950 ( -8.168 9.121 10.912) 16.401 13.262 ( -8.079 -5.415 6.207) 11.538 13.949 ( 8.126 10.771 -1.967) 13.635 14.284 ( 5.154 -3.415 -2.060) 6.517 14.878 ( 25.210 11.506 -6.432) 28.448 15.103 ( 30.841 -0.151 -4.254) 31.134 16.326 ( -5.480 25.717 -4.933) 26.753 16.601 ( 0.041 12.908 -11.999) 17.623 17.128 ( -4.872 7.107 21.133) 22.822 17.272 ( -11.618 0.185 24.972) 27.543 17.839 ( -10.869 3.273 -16.011) 19.626 18.081 ( -6.999 -3.871 -12.792) 15.087 19.040 ( -12.767 8.120 3.605) 15.553 19.442 ( -14.636 -9.126 -12.849) 21.508 21.182 ( 8.919 -4.491 8.368) 13.028 21.670 ( 9.165 -21.918 15.475) 28.353 22.407 ( -10.923 3.550 -4.547) 12.352 22.863 ( -7.917 -16.321 -8.189) 19.902 ======================= Grid point 614 (305/312) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.889 ( 1.441 3.049 -5.457) 6.415 4.127 ( -8.265 -6.045 -0.994) 10.288 4.845 ( 0.723 -1.986 4.660) 5.117 4.917 ( -1.196 -2.852 -3.104) 4.381 5.131 ( -4.619 -2.470 -6.166) 8.091 5.425 ( -14.680 -20.860 0.787) 25.519 5.786 ( 1.423 -1.149 -1.192) 2.183 5.960 ( -7.433 -9.631 3.653) 12.702 7.672 ( 3.485 16.201 1.643) 16.653 7.836 ( -3.372 11.907 -3.550) 12.874 8.423 ( 11.175 -0.963 -10.597) 15.430 8.595 ( -1.277 -10.772 10.588) 15.158 9.394 ( 6.022 5.103 -0.396) 7.903 9.470 ( 3.245 2.923 2.613) 5.090 9.926 ( 4.027 6.444 1.400) 7.726 10.019 ( 1.969 3.359 1.786) 4.284 12.485 ( 10.415 5.826 -2.466) 12.186 12.622 ( 11.597 -0.257 5.453) 12.818 12.825 ( -7.061 7.039 6.732) 12.030 13.102 ( -9.434 -4.896 2.102) 10.834 14.115 ( 8.144 10.501 3.281) 13.688 14.336 ( 0.534 1.523 -3.261) 3.639 15.370 ( 24.789 17.434 -5.347) 30.774 15.697 ( 27.881 6.192 -5.944) 29.172 16.171 ( -8.386 15.535 1.512) 17.719 16.547 ( -3.198 4.564 -6.969) 8.923 17.033 ( -11.102 2.072 17.375) 20.723 17.091 ( -11.820 -1.746 10.635) 15.996 17.654 ( -2.438 9.292 -3.194) 10.123 17.895 ( -7.297 1.337 -13.211) 15.151 18.866 ( -5.165 4.604 6.493) 9.488 19.117 ( -12.185 -5.558 -13.121) 18.749 21.413 ( 10.700 -2.679 9.591) 14.617 21.820 ( -1.065 -12.883 4.255) 13.609 22.256 ( -0.465 -7.899 3.033) 8.474 22.647 ( -10.010 -19.413 -10.472) 24.223 ======================= Grid point 615 (306/312) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.969 ( -6.004 -4.803 0.622) 7.714 3.969 ( 6.004 -4.803 -0.622) 7.714 4.873 ( 0.567 -2.294 -1.218) 2.658 4.873 ( -0.567 -2.294 1.218) 2.658 5.175 ( -5.244 -12.050 -5.754) 14.346 5.175 ( 5.244 -12.050 5.754) 14.346 5.849 ( 1.560 -4.630 -6.672) 8.269 5.849 ( -1.560 -4.630 6.672) 8.269 7.751 ( 0.082 14.529 -10.643) 18.010 7.751 ( -0.082 14.529 10.643) 18.010 8.561 ( 6.065 -7.110 -11.139) 14.540 8.561 ( -6.065 -7.110 11.139) 14.540 9.477 ( 2.308 4.403 -3.668) 6.178 9.477 ( -2.308 4.403 3.668) 6.178 10.010 ( 0.009 5.848 -4.764) 7.543 10.010 ( -0.009 5.848 4.764) 7.543 12.660 ( 4.550 7.868 -15.891) 18.307 12.660 ( -4.550 7.868 15.891) 18.307 12.897 ( -2.830 -3.470 -10.075) 11.026 12.897 ( 2.830 -3.470 10.075) 11.026 14.272 ( -4.947 7.163 -5.282) 10.183 14.272 ( 4.947 7.163 5.282) 10.183 15.787 ( -16.556 25.711 2.201) 30.659 15.787 ( 16.556 25.711 -2.201) 30.659 16.320 ( -7.502 -7.140 -4.910) 11.461 16.320 ( 7.502 -7.140 4.910) 11.461 16.943 ( 3.657 0.482 -20.328) 20.660 16.943 ( -3.657 0.482 20.328) 20.660 17.714 ( -5.486 8.159 -10.145) 14.127 17.714 ( 5.486 8.159 10.145) 14.127 18.897 ( -4.151 -1.212 -11.999) 12.754 18.897 ( 4.151 -1.212 11.999) 12.754 21.663 ( -4.250 -2.548 -16.983) 17.691 21.663 ( 4.250 -2.548 16.983) 17.691 22.406 ( -8.701 -19.489 -12.394) 24.681 22.406 ( 8.701 -19.489 12.394) 24.681 ======================= Grid point 621 (307/312) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.602 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 -0.000 0.000) 0.000 5.330 ( -0.000 0.000 0.000) 0.000 5.502 ( -0.000 -0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 6.785 ( -0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 7.744 ( -0.000 -0.000 -0.000) 0.000 7.744 ( 0.000 0.000 0.000) 0.000 7.852 ( -0.000 0.000 -0.000) 0.000 7.852 ( 0.000 0.000 0.000) 0.000 8.565 ( -0.000 0.000 0.000) 0.000 8.565 ( -0.000 0.000 0.000) 0.000 9.851 ( -0.000 0.000 0.000) 0.000 9.851 ( -0.000 0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 13.449 ( -0.000 -0.000 -0.000) 0.000 13.449 ( -0.000 0.000 0.000) 0.000 13.601 ( 0.000 0.000 -0.000) 0.000 13.601 ( 0.000 0.000 0.000) 0.000 14.142 ( -0.000 0.000 0.000) 0.000 14.142 ( -0.000 0.000 0.000) 0.000 16.924 ( 0.000 0.000 -0.000) 0.000 16.924 ( 0.000 0.000 0.000) 0.000 17.228 ( -0.000 0.000 0.000) 0.000 17.228 ( -0.000 0.000 0.000) 0.000 18.524 ( -0.000 0.000 -0.000) 0.000 18.524 ( -0.000 0.000 0.000) 0.000 19.606 ( 0.000 0.000 0.000) 0.000 19.606 ( 0.000 0.000 0.000) 0.000 20.941 ( -0.000 0.000 0.000) 0.000 20.941 ( -0.000 0.000 0.000) 0.000 22.995 ( -0.000 0.000 0.000) 0.000 22.995 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 625 (308/312) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.552 ( -4.741 -6.802 -1.229) 8.382 4.552 ( -4.741 6.802 -1.229) 8.382 5.274 ( -5.630 -19.932 -3.189) 20.956 5.274 ( -5.630 19.932 -3.189) 20.956 5.471 ( -2.295 -20.546 2.641) 20.842 5.471 ( -2.295 20.546 2.641) 20.842 6.585 ( -16.566 -8.959 -5.531) 19.628 6.585 ( -16.566 8.959 -5.531) 19.628 7.680 ( 3.354 -10.083 -12.621) 16.498 7.680 ( 3.354 10.083 -12.621) 16.498 8.066 ( 9.371 -7.498 9.824) 15.509 8.066 ( 9.371 7.498 9.824) 15.509 8.696 ( 11.300 -6.790 8.779) 15.839 8.696 ( 11.300 6.790 8.779) 15.839 9.855 ( 0.348 -2.290 0.064) 2.317 9.855 ( 0.348 2.290 0.064) 2.317 12.023 ( 1.415 -1.150 1.734) 2.516 12.023 ( 1.415 1.150 1.734) 2.516 13.378 ( -6.731 -8.394 8.722) 13.851 13.378 ( -6.731 8.394 8.722) 13.851 13.759 ( 12.426 -11.620 -0.969) 17.040 13.759 ( 12.426 11.620 -0.969) 17.040 14.220 ( 9.930 -3.076 -8.004) 13.119 14.220 ( 9.930 3.076 -8.004) 13.119 16.880 ( -1.290 -4.559 -14.600) 15.349 16.880 ( -1.290 4.559 -14.600) 15.349 17.260 ( -1.184 -6.329 20.966) 21.932 17.260 ( -1.184 6.329 20.966) 21.932 18.422 ( -7.732 -1.905 -9.595) 12.469 18.422 ( -7.732 1.905 -9.595) 12.469 19.588 ( -2.790 -9.038 0.809) 9.493 19.588 ( -2.790 9.038 0.809) 9.493 20.972 ( 2.406 -7.389 5.510) 9.526 20.972 ( 2.406 7.389 5.510) 9.526 22.943 ( -4.759 -5.228 -2.331) 7.444 22.943 ( -4.759 5.228 -2.331) 7.444 ======================= Grid point 627 (309/312) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( -9.407 -10.491 -2.196) 14.261 4.403 ( -9.407 10.491 -2.196) 14.261 5.106 ( -8.023 -14.219 -6.105) 17.430 5.106 ( -8.023 14.219 -6.105) 17.430 5.438 ( -3.176 -14.718 4.246) 15.644 5.438 ( -3.176 14.718 4.246) 15.644 6.199 ( -17.669 -9.037 -5.259) 20.531 6.199 ( -17.669 9.037 -5.259) 20.531 7.770 ( 7.738 -10.223 -8.844) 15.576 7.770 ( 7.738 10.223 -8.844) 15.576 8.229 ( 5.007 -9.192 5.562) 11.854 8.229 ( 5.007 9.192 5.562) 11.854 9.018 ( 15.380 -7.874 9.649) 19.790 9.018 ( 15.380 7.874 9.649) 19.790 9.870 ( 1.367 -2.903 0.345) 3.227 9.870 ( 1.367 2.903 0.345) 3.227 12.116 ( 7.256 -1.721 3.669) 8.311 12.116 ( 7.256 1.721 3.669) 8.311 13.260 ( -8.188 -8.304 10.157) 15.465 13.260 ( -8.188 8.304 10.157) 15.465 13.988 ( 9.729 -10.484 -1.673) 14.400 13.988 ( 9.729 10.484 -1.673) 14.400 14.523 ( 23.346 -2.172 -8.940) 25.093 14.523 ( 23.346 2.172 -8.940) 25.093 16.787 ( -2.163 -5.680 -17.369) 18.402 16.787 ( -2.163 5.680 -17.369) 18.402 17.297 ( -4.836 -7.106 29.983) 31.191 17.297 ( -4.836 7.106 29.983) 31.191 18.190 ( -10.082 -4.659 -14.272) 18.084 18.190 ( -10.082 4.659 -14.272) 18.084 19.467 ( -9.105 -12.269 -3.103) 15.591 19.467 ( -9.105 12.269 -3.103) 15.591 21.088 ( 6.337 -12.293 10.750) 17.517 21.088 ( 6.337 12.293 10.750) 17.517 22.793 ( -8.723 -9.585 -4.805) 13.822 22.793 ( -8.723 9.585 -4.805) 13.822 ======================= Grid point 629 (310/312) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( -10.474 -10.435 -3.716) 15.245 4.184 ( -10.474 10.435 -3.716) 15.245 4.950 ( -5.725 -8.490 -2.409) 10.520 4.950 ( -5.725 8.490 -2.409) 10.520 5.334 ( -8.001 -10.387 -1.365) 13.182 5.334 ( -8.001 10.387 -1.365) 13.182 5.914 ( -8.961 -7.651 0.135) 11.783 5.914 ( -8.961 7.651 0.135) 11.783 7.880 ( 4.924 -9.952 -4.811) 12.101 7.880 ( 4.924 9.952 -4.811) 12.101 8.332 ( 4.066 -8.669 2.861) 9.993 8.332 ( 4.066 8.669 2.861) 9.993 9.314 ( 10.922 -3.706 4.161) 12.261 9.314 ( 10.922 3.706 4.161) 12.261 9.927 ( 3.956 -2.493 2.119) 5.134 9.927 ( 3.956 2.493 2.119) 5.134 12.326 ( 11.666 -2.202 3.975) 12.520 12.326 ( 11.666 2.202 3.975) 12.520 13.125 ( -8.419 -8.163 8.014) 14.203 13.125 ( -8.419 8.163 8.014) 14.203 14.150 ( 7.460 -9.188 -0.766) 11.860 14.150 ( 7.460 9.188 -0.766) 11.860 15.041 ( 29.929 -5.510 -8.067) 31.483 15.041 ( 29.929 5.510 -8.067) 31.483 16.671 ( -4.120 -7.007 -14.058) 16.238 16.671 ( -4.120 7.007 -14.058) 16.238 17.245 ( -11.495 -3.641 29.387) 31.764 17.245 ( -11.495 3.641 29.387) 31.764 17.964 ( -6.632 -7.938 -12.679) 16.363 17.964 ( -6.632 7.938 -12.679) 16.363 19.221 ( -12.677 -11.170 -6.763) 18.199 19.221 ( -12.677 11.170 -6.763) 18.199 21.291 ( 9.279 -14.387 13.134) 21.578 21.291 ( 9.279 14.387 13.134) 21.578 22.570 ( -11.082 -12.364 -7.150) 18.078 22.570 ( -11.082 12.364 -7.150) 18.078 ======================= Grid point 631 (311/312) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.995 ( -6.379 -6.885 -3.443) 9.998 3.995 ( -6.379 6.885 -3.443) 9.998 4.860 ( -3.507 -4.165 3.253) 6.342 4.860 ( -3.507 4.165 3.253) 6.342 5.155 ( -6.694 -6.281 -6.223) 11.090 5.155 ( -6.694 6.281 -6.223) 11.090 5.817 ( -2.476 -4.513 2.537) 5.739 5.817 ( -2.476 4.513 2.537) 5.739 7.927 ( 1.253 -6.057 -1.644) 6.400 7.927 ( 1.253 6.057 -1.644) 6.400 8.411 ( 2.927 -4.736 0.690) 5.610 8.411 ( 2.927 4.736 0.690) 5.610 9.480 ( 5.160 -2.437 0.295) 5.715 9.480 ( 5.160 2.437 0.295) 5.715 10.022 ( 3.839 -2.718 2.521) 5.337 10.022 ( 3.839 2.718 2.521) 5.337 12.579 ( 11.818 -3.591 2.027) 12.517 12.579 ( 11.818 3.591 2.027) 12.517 12.978 ( -8.677 -7.485 4.551) 12.330 12.978 ( -8.677 7.485 4.551) 12.330 14.282 ( 5.218 -6.166 0.849) 8.122 14.282 ( 5.218 6.167 0.849) 8.122 15.623 ( 30.207 -8.801 -8.297) 32.539 15.623 ( 30.207 8.801 -8.297) 32.539 16.499 ( -10.996 -10.837 -4.177) 15.994 16.499 ( -10.996 10.837 -4.177) 15.994 17.059 ( -12.876 -1.541 15.348) 20.093 17.059 ( -12.876 1.541 15.348) 20.093 17.852 ( -1.989 -7.550 -4.503) 9.013 17.852 ( -1.989 7.550 -4.503) 9.013 18.966 ( -9.171 -7.304 -5.997) 13.168 18.966 ( -9.171 7.304 -5.997) 13.168 21.529 ( 9.325 -13.107 11.450) 19.745 21.529 ( 9.325 13.107 11.450) 19.745 22.320 ( -10.429 -12.064 -7.931) 17.810 22.320 ( -10.429 12.064 -7.931) 17.810 ======================= Grid point 633 (312/312) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( -0.000 0.000 -0.000) 0.000 3.923 ( -0.000 0.000 0.000) 0.000 4.830 ( -0.000 -0.000 0.000) 0.000 4.830 ( -0.000 0.000 0.000) 0.000 5.071 ( -0.000 0.000 0.000) 0.000 5.071 ( -0.000 0.000 0.000) 0.000 5.800 ( -0.000 0.000 0.000) 0.000 5.800 ( -0.000 0.000 0.000) 0.000 7.934 ( -0.000 -0.000 -0.000) 0.000 7.934 ( -0.000 0.000 -0.000) 0.000 8.443 ( -0.000 -0.000 0.000) 0.000 8.443 ( -0.000 0.000 0.000) 0.000 9.532 ( -0.000 0.000 0.000) 0.000 9.532 ( -0.000 0.000 0.000) 0.000 10.069 ( -0.000 0.000 0.000) 0.000 10.069 ( -0.000 0.000 0.000) 0.000 12.784 ( 0.000 -0.000 -0.000) 0.000 12.784 ( 0.000 -0.000 0.000) 0.000 12.818 ( -0.000 0.000 -0.000) 0.000 12.818 ( -0.000 0.000 0.000) 0.000 14.340 ( -0.000 0.000 0.000) 0.000 14.340 ( -0.000 0.000 0.000) 0.000 16.136 ( 0.000 -0.000 -0.000) 0.000 16.136 ( 0.000 0.000 -0.000) 0.000 16.169 ( -0.000 -0.000 0.000) 0.000 16.169 ( -0.000 0.000 0.000) 0.000 16.941 ( -0.000 0.000 -0.000) 0.000 16.941 ( -0.000 0.000 0.000) 0.000 17.828 ( -0.000 0.000 -0.000) 0.000 17.828 ( -0.000 -0.000 0.000) 0.000 18.857 ( -0.000 0.000 0.000) 0.000 18.857 ( -0.000 0.000 0.000) 0.000 21.672 ( -0.000 0.000 0.000) 0.000 21.672 ( -0.000 0.000 0.000) 0.000 22.172 ( -0.000 0.000 -0.000) 0.000 22.172 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36000 10.0 18697.546 15624.735 8962.421 0.000 -1144.725 0.000 3/36000 20.0 6486.692 5865.024 5387.047 0.000 -133.545 0.000 3/36000 30.0 2238.642 2214.271 2039.277 0.000 -16.717 0.000 3/36000 40.0 961.682 999.828 897.987 0.000 -5.515 0.000 3/36000 50.0 515.758 549.705 489.666 0.000 -2.850 0.000 3/36000 60.0 322.191 348.999 309.906 0.000 -1.558 0.000 3/36000 70.0 222.564 243.989 216.295 0.000 -0.888 0.000 3/36000 80.0 164.545 182.088 161.262 0.000 -0.546 0.000 3/36000 90.0 127.650 142.333 126.007 0.000 -0.371 0.000 3/36000 100.0 102.642 115.160 101.975 0.000 -0.281 0.000 3/36000 110.0 84.865 95.700 84.814 0.000 -0.235 0.000 3/36000 120.0 71.750 81.250 72.107 0.000 -0.211 0.000 3/36000 130.0 61.782 70.204 62.417 0.000 -0.200 0.000 3/36000 140.0 54.018 61.555 54.847 0.000 -0.195 0.000 3/36000 150.0 47.844 54.645 48.809 0.000 -0.193 0.000 3/36000 160.0 42.846 49.028 43.907 0.000 -0.193 0.000 3/36000 170.0 38.737 44.393 39.866 0.000 -0.194 0.000 3/36000 180.0 35.311 40.517 36.487 0.000 -0.195 0.000 3/36000 190.0 32.422 37.237 33.628 0.000 -0.196 0.000 3/36000 200.0 29.957 34.433 31.182 0.000 -0.197 0.000 3/36000 210.0 27.834 32.013 29.069 0.000 -0.197 0.000 3/36000 220.0 25.989 29.906 27.227 0.000 -0.197 0.000 3/36000 230.0 24.373 28.058 25.609 0.000 -0.196 0.000 3/36000 240.0 22.947 26.425 24.177 0.000 -0.196 0.000 3/36000 250.0 21.681 24.972 22.901 0.000 -0.195 0.000 3/36000 260.0 20.549 23.673 21.757 0.000 -0.193 0.000 3/36000 270.0 19.532 22.504 20.726 0.000 -0.192 0.000 3/36000 280.0 18.613 21.447 19.793 0.000 -0.190 0.000 3/36000 290.0 17.780 20.488 18.943 0.000 -0.188 0.000 3/36000 300.0 17.020 19.613 18.166 0.000 -0.186 0.000 3/36000 310.0 16.324 18.812 17.453 0.000 -0.184 0.000 3/36000 320.0 15.685 18.075 16.796 0.000 -0.182 0.000 3/36000 330.0 15.096 17.396 16.189 0.000 -0.179 0.000 3/36000 340.0 14.551 16.768 15.626 0.000 -0.177 0.000 3/36000 350.0 14.046 16.186 15.103 0.000 -0.175 0.000 3/36000 360.0 13.576 15.644 14.616 0.000 -0.172 0.000 3/36000 370.0 13.138 15.138 14.160 0.000 -0.170 0.000 3/36000 380.0 12.728 14.665 13.733 0.000 -0.168 0.000 3/36000 390.0 12.344 14.222 13.332 0.000 -0.165 0.000 3/36000 400.0 11.984 13.806 12.955 0.000 -0.163 0.000 3/36000 410.0 11.644 13.414 12.599 0.000 -0.160 0.000 3/36000 420.0 11.325 13.045 12.263 0.000 -0.158 0.000 3/36000 430.0 11.022 12.697 11.946 0.000 -0.156 0.000 3/36000 440.0 10.737 12.367 11.644 0.000 -0.154 0.000 3/36000 450.0 10.466 12.055 11.359 0.000 -0.151 0.000 3/36000 460.0 10.209 11.758 11.087 0.000 -0.149 0.000 3/36000 470.0 9.965 11.476 10.829 0.000 -0.147 0.000 3/36000 480.0 9.733 11.208 10.583 0.000 -0.145 0.000 3/36000 490.0 9.511 10.953 10.348 0.000 -0.143 0.000 3/36000 500.0 9.300 10.709 10.124 0.000 -0.141 0.000 3/36000 510.0 9.099 10.477 9.909 0.000 -0.139 0.000 3/36000 520.0 8.906 10.254 9.704 0.000 -0.137 0.000 3/36000 530.0 8.721 10.041 9.507 0.000 -0.135 0.000 3/36000 540.0 8.545 9.838 9.319 0.000 -0.133 0.000 3/36000 550.0 8.375 9.642 9.138 0.000 -0.131 0.000 3/36000 560.0 8.212 9.454 8.963 0.000 -0.130 0.000 3/36000 570.0 8.056 9.274 8.796 0.000 -0.128 0.000 3/36000 580.0 7.906 9.101 8.635 0.000 -0.126 0.000 3/36000 590.0 7.761 8.934 8.480 0.000 -0.124 0.000 3/36000 600.0 7.622 8.773 8.331 0.000 -0.123 0.000 3/36000 610.0 7.487 8.618 8.186 0.000 -0.121 0.000 3/36000 620.0 7.358 8.469 8.047 0.000 -0.120 0.000 3/36000 630.0 7.233 8.325 7.913 0.000 -0.118 0.000 3/36000 640.0 7.112 8.186 7.783 0.000 -0.117 0.000 3/36000 650.0 6.996 8.052 7.657 0.000 -0.115 0.000 3/36000 660.0 6.883 7.922 7.536 0.000 -0.114 0.000 3/36000 670.0 6.774 7.796 7.418 0.000 -0.112 0.000 3/36000 680.0 6.668 7.674 7.304 0.000 -0.111 0.000 3/36000 690.0 6.566 7.556 7.194 0.000 -0.110 0.000 3/36000 700.0 6.467 7.442 7.087 0.000 -0.108 0.000 3/36000 710.0 6.371 7.331 6.983 0.000 -0.107 0.000 3/36000 720.0 6.278 7.224 6.882 0.000 -0.106 0.000 3/36000 730.0 6.187 7.120 6.784 0.000 -0.104 0.000 3/36000 740.0 6.099 7.018 6.689 0.000 -0.103 0.000 3/36000 750.0 6.014 6.920 6.597 0.000 -0.102 0.000 3/36000 760.0 5.931 6.824 6.507 0.000 -0.101 0.000 3/36000 770.0 5.850 6.732 6.419 0.000 -0.100 0.000 3/36000 780.0 5.772 6.641 6.334 0.000 -0.099 0.000 3/36000 790.0 5.696 6.553 6.251 0.000 -0.098 0.000 3/36000 800.0 5.621 6.468 6.171 0.000 -0.096 0.000 3/36000 810.0 5.549 6.384 6.092 0.000 -0.095 0.000 3/36000 820.0 5.479 6.303 6.016 0.000 -0.094 0.000 3/36000 830.0 5.410 6.224 5.941 0.000 -0.093 0.000 3/36000 840.0 5.343 6.147 5.868 0.000 -0.092 0.000 3/36000 850.0 5.278 6.072 5.797 0.000 -0.091 0.000 3/36000 860.0 5.214 5.998 5.728 0.000 -0.091 0.000 3/36000 870.0 5.152 5.927 5.661 0.000 -0.090 0.000 3/36000 880.0 5.091 5.857 5.595 0.000 -0.089 0.000 3/36000 890.0 5.032 5.789 5.530 0.000 -0.088 0.000 3/36000 900.0 4.974 5.722 5.467 0.000 -0.087 0.000 3/36000 910.0 4.918 5.657 5.406 0.000 -0.086 0.000 3/36000 920.0 4.863 5.594 5.345 0.000 -0.085 0.000 3/36000 930.0 4.809 5.531 5.287 0.000 -0.084 0.000 3/36000 940.0 4.756 5.471 5.229 0.000 -0.084 0.000 3/36000 950.0 4.704 5.411 5.173 0.000 -0.083 0.000 3/36000 960.0 4.654 5.353 5.118 0.000 -0.082 0.000 3/36000 970.0 4.604 5.296 5.064 0.000 -0.081 0.000 3/36000 980.0 4.556 5.241 5.011 0.000 -0.080 0.000 3/36000 990.0 4.509 5.186 4.959 0.000 -0.080 0.000 3/36000 1000.0 4.462 5.133 4.909 0.000 -0.079 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:31:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|