----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:44:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.135586460496050 0.000000000000000 0.000000000000000 b 0.000000000000000 5.812456260000000 0.000000000000000 c -1.945576635642978 0.000000000000000 6.559031130445547 Atomic positions (fractional): *1 Li 0.19598367062952 0.25000000000000 0.81009585687800 6.941 2 Li 0.80401632937048 0.75000000000000 0.18990414312200 6.941 *3 N 0.02872682086220 0.49702471019970 0.24796000636205 14.007 4 N 0.97127317913780 0.99702471019970 0.75203999363795 14.007 5 N 0.97127317913780 0.50297528980030 0.75203999363795 14.007 6 N 0.02872682086220 0.00297528980030 0.24796000636205 14.007 *7 N 0.40274610653533 0.25000000000000 0.12707309755851 14.007 8 N 0.59725389346467 0.75000000000000 0.87292690244149 14.007 *9 N 0.38519429996210 0.25000000000000 0.56673575556513 14.007 10 N 0.61480570003790 0.75000000000000 0.43326424443487 14.007 *11 Sr 0.23735057883620 0.75000000000000 0.55679607562796 87.620 12 Sr 0.76264942116380 0.25000000000000 0.44320392437204 87.620 *13 Sr 0.71938441096116 0.25000000000000 0.93153321780026 87.620 14 Sr 0.28061558903884 0.75000000000000 0.06846678219974 87.620 *15 Re 0.78158493886865 0.75000000000000 0.70140205656536 186.207 16 Re 0.21841506113135 0.25000000000000 0.29859794343464 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.135586460496050 0.000000000000000 0.000000000000000 b 0.000000000000000 5.812456260000000 0.000000000000000 c -1.945576635642978 0.000000000000000 6.559031130445547 Atomic positions (fractional): *1 Li 0.19598367062952 0.25000000000000 0.81009585687800 6.941 > 1 2 Li 0.80401632937048 0.75000000000000 0.18990414312200 6.941 > 2 *3 N 0.02872682086220 0.49702471019970 0.24796000636205 14.007 > 3 4 N 0.97127317913780 0.99702471019970 0.75203999363795 14.007 > 4 5 N 0.97127317913780 0.50297528980030 0.75203999363795 14.007 > 5 6 N 0.02872682086220 0.00297528980030 0.24796000636205 14.007 > 6 *7 N 0.40274610653533 0.25000000000000 0.12707309755851 14.007 > 7 8 N 0.59725389346467 0.75000000000000 0.87292690244149 14.007 > 8 *9 N 0.38519429996210 0.25000000000000 0.56673575556513 14.007 > 9 10 N 0.61480570003790 0.75000000000000 0.43326424443487 14.007 > 10 *11 Sr 0.23735057883620 0.75000000000000 0.55679607562796 87.620 > 11 12 Sr 0.76264942116380 0.25000000000000 0.44320392437204 87.620 > 12 *13 Sr 0.71938441096116 0.25000000000000 0.93153321780026 87.620 > 13 14 Sr 0.28061558903884 0.75000000000000 0.06846678219974 87.620 > 14 *15 Re 0.78158493886865 0.75000000000000 0.70140205656536 186.207 > 15 16 Re 0.21841506113135 0.25000000000000 0.29859794343464 186.207 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.271172920992100 0.000000000000000 0.000000000000000 b 0.000000000000000 11.624912520000001 0.000000000000000 c -3.891153271285956 0.000000000000000 13.118062260891094 Atomic positions (fractional): *1 Li 0.09799183531476 0.12500000000000 0.40504792843900 6.941 > 1 2 Li 0.59799183531476 0.12500000000000 0.40504792843900 6.941 > 1 3 Li 0.09799183531476 0.62500000000000 0.40504792843900 6.941 > 1 4 Li 0.59799183531476 0.62500000000000 0.40504792843900 6.941 > 1 5 Li 0.09799183531476 0.12500000000000 0.90504792843900 6.941 > 1 6 Li 0.59799183531476 0.12500000000000 0.90504792843900 6.941 > 1 7 Li 0.09799183531476 0.62500000000000 0.90504792843900 6.941 > 1 8 Li 0.59799183531476 0.62500000000000 0.90504792843900 6.941 > 1 9 Li 0.40200816468524 0.37500000000000 0.09495207156100 6.941 > 2 10 Li 0.90200816468524 0.37500000000000 0.09495207156100 6.941 > 2 11 Li 0.40200816468524 0.87500000000000 0.09495207156100 6.941 > 2 12 Li 0.90200816468524 0.87500000000000 0.09495207156100 6.941 > 2 13 Li 0.40200816468524 0.37500000000000 0.59495207156100 6.941 > 2 14 Li 0.90200816468524 0.37500000000000 0.59495207156100 6.941 > 2 15 Li 0.40200816468524 0.87500000000000 0.59495207156100 6.941 > 2 16 Li 0.90200816468524 0.87500000000000 0.59495207156100 6.941 > 2 *17 N 0.01436341043110 0.24851235509985 0.12398000318103 14.007 > 3 18 N 0.51436341043110 0.24851235509985 0.12398000318103 14.007 > 3 19 N 0.01436341043110 0.74851235509985 0.12398000318103 14.007 > 3 20 N 0.51436341043110 0.74851235509985 0.12398000318103 14.007 > 3 21 N 0.01436341043110 0.24851235509985 0.62398000318102 14.007 > 3 22 N 0.51436341043110 0.24851235509985 0.62398000318102 14.007 > 3 23 N 0.01436341043110 0.74851235509985 0.62398000318102 14.007 > 3 24 N 0.51436341043110 0.74851235509985 0.62398000318102 14.007 > 3 25 N 0.48563658956890 0.49851235509985 0.37601999681898 14.007 > 4 26 N 0.98563658956890 0.49851235509985 0.37601999681898 14.007 > 4 27 N 0.48563658956890 0.99851235509985 0.37601999681898 14.007 > 4 28 N 0.98563658956890 0.99851235509985 0.37601999681898 14.007 > 4 29 N 0.48563658956890 0.49851235509985 0.87601999681898 14.007 > 4 30 N 0.98563658956890 0.49851235509985 0.87601999681898 14.007 > 4 31 N 0.48563658956890 0.99851235509985 0.87601999681898 14.007 > 4 32 N 0.98563658956890 0.99851235509985 0.87601999681898 14.007 > 4 33 N 0.48563658956890 0.25148764490015 0.37601999681898 14.007 > 5 34 N 0.98563658956890 0.25148764490015 0.37601999681898 14.007 > 5 35 N 0.48563658956890 0.75148764490015 0.37601999681898 14.007 > 5 36 N 0.98563658956890 0.75148764490015 0.37601999681898 14.007 > 5 37 N 0.48563658956890 0.25148764490015 0.87601999681898 14.007 > 5 38 N 0.98563658956890 0.25148764490015 0.87601999681898 14.007 > 5 39 N 0.48563658956890 0.75148764490015 0.87601999681898 14.007 > 5 40 N 0.98563658956890 0.75148764490015 0.87601999681898 14.007 > 5 41 N 0.01436341043110 0.00148764490015 0.12398000318103 14.007 > 6 42 N 0.51436341043110 0.00148764490015 0.12398000318103 14.007 > 6 43 N 0.01436341043110 0.50148764490015 0.12398000318103 14.007 > 6 44 N 0.51436341043110 0.50148764490015 0.12398000318103 14.007 > 6 45 N 0.01436341043110 0.00148764490015 0.62398000318102 14.007 > 6 46 N 0.51436341043110 0.00148764490015 0.62398000318102 14.007 > 6 47 N 0.01436341043110 0.50148764490015 0.62398000318102 14.007 > 6 48 N 0.51436341043110 0.50148764490015 0.62398000318102 14.007 > 6 *49 N 0.20137305326767 0.12500000000000 0.06353654877926 14.007 > 7 50 N 0.70137305326767 0.12500000000000 0.06353654877926 14.007 > 7 51 N 0.20137305326767 0.62500000000000 0.06353654877926 14.007 > 7 52 N 0.70137305326767 0.62500000000000 0.06353654877926 14.007 > 7 53 N 0.20137305326767 0.12500000000000 0.56353654877925 14.007 > 7 54 N 0.70137305326767 0.12500000000000 0.56353654877925 14.007 > 7 55 N 0.20137305326767 0.62500000000000 0.56353654877925 14.007 > 7 56 N 0.70137305326767 0.62500000000000 0.56353654877925 14.007 > 7 57 N 0.29862694673233 0.37500000000000 0.43646345122074 14.007 > 8 58 N 0.79862694673233 0.37500000000000 0.43646345122074 14.007 > 8 59 N 0.29862694673233 0.87500000000000 0.43646345122074 14.007 > 8 60 N 0.79862694673233 0.87500000000000 0.43646345122074 14.007 > 8 61 N 0.29862694673233 0.37500000000000 0.93646345122075 14.007 > 8 62 N 0.79862694673233 0.37500000000000 0.93646345122075 14.007 > 8 63 N 0.29862694673233 0.87500000000000 0.93646345122075 14.007 > 8 64 N 0.79862694673233 0.87500000000000 0.93646345122075 14.007 > 8 *65 N 0.19259714998105 0.12500000000000 0.28336787778257 14.007 > 9 66 N 0.69259714998105 0.12500000000000 0.28336787778257 14.007 > 9 67 N 0.19259714998105 0.62500000000000 0.28336787778257 14.007 > 9 68 N 0.69259714998105 0.62500000000000 0.28336787778257 14.007 > 9 69 N 0.19259714998105 0.12500000000000 0.78336787778257 14.007 > 9 70 N 0.69259714998105 0.12500000000000 0.78336787778257 14.007 > 9 71 N 0.19259714998105 0.62500000000000 0.78336787778257 14.007 > 9 72 N 0.69259714998105 0.62500000000000 0.78336787778257 14.007 > 9 73 N 0.30740285001895 0.37500000000000 0.21663212221743 14.007 > 10 74 N 0.80740285001895 0.37500000000000 0.21663212221743 14.007 > 10 75 N 0.30740285001895 0.87500000000000 0.21663212221743 14.007 > 10 76 N 0.80740285001895 0.87500000000000 0.21663212221743 14.007 > 10 77 N 0.30740285001895 0.37500000000000 0.71663212221743 14.007 > 10 78 N 0.80740285001895 0.37500000000000 0.71663212221743 14.007 > 10 79 N 0.30740285001895 0.87500000000000 0.71663212221743 14.007 > 10 80 N 0.80740285001895 0.87500000000000 0.71663212221743 14.007 > 10 *81 Sr 0.11867528941810 0.37500000000000 0.27839803781398 87.620 > 11 82 Sr 0.61867528941810 0.37500000000000 0.27839803781398 87.620 > 11 83 Sr 0.11867528941810 0.87500000000000 0.27839803781398 87.620 > 11 84 Sr 0.61867528941810 0.87500000000000 0.27839803781398 87.620 > 11 85 Sr 0.11867528941810 0.37500000000000 0.77839803781398 87.620 > 11 86 Sr 0.61867528941810 0.37500000000000 0.77839803781398 87.620 > 11 87 Sr 0.11867528941810 0.87500000000000 0.77839803781398 87.620 > 11 88 Sr 0.61867528941810 0.87500000000000 0.77839803781398 87.620 > 11 89 Sr 0.38132471058190 0.12500000000000 0.22160196218602 87.620 > 12 90 Sr 0.88132471058190 0.12500000000000 0.22160196218602 87.620 > 12 91 Sr 0.38132471058190 0.62500000000000 0.22160196218602 87.620 > 12 92 Sr 0.88132471058190 0.62500000000000 0.22160196218602 87.620 > 12 93 Sr 0.38132471058190 0.12500000000000 0.72160196218602 87.620 > 12 94 Sr 0.88132471058190 0.12500000000000 0.72160196218602 87.620 > 12 95 Sr 0.38132471058190 0.62500000000000 0.72160196218602 87.620 > 12 96 Sr 0.88132471058190 0.62500000000000 0.72160196218602 87.620 > 12 *97 Sr 0.35969220548058 0.12500000000000 0.46576660890013 87.620 > 13 98 Sr 0.85969220548058 0.12500000000000 0.46576660890013 87.620 > 13 99 Sr 0.35969220548058 0.62500000000000 0.46576660890013 87.620 > 13 100 Sr 0.85969220548058 0.62500000000000 0.46576660890013 87.620 > 13 101 Sr 0.35969220548058 0.12500000000000 0.96576660890013 87.620 > 13 102 Sr 0.85969220548058 0.12500000000000 0.96576660890013 87.620 > 13 103 Sr 0.35969220548058 0.62500000000000 0.96576660890013 87.620 > 13 104 Sr 0.85969220548058 0.62500000000000 0.96576660890013 87.620 > 13 105 Sr 0.14030779451942 0.37500000000000 0.03423339109987 87.620 > 14 106 Sr 0.64030779451942 0.37500000000000 0.03423339109987 87.620 > 14 107 Sr 0.14030779451942 0.87500000000000 0.03423339109987 87.620 > 14 108 Sr 0.64030779451942 0.87500000000000 0.03423339109987 87.620 > 14 109 Sr 0.14030779451942 0.37500000000000 0.53423339109987 87.620 > 14 110 Sr 0.64030779451942 0.37500000000000 0.53423339109987 87.620 > 14 111 Sr 0.14030779451942 0.87500000000000 0.53423339109987 87.620 > 14 112 Sr 0.64030779451942 0.87500000000000 0.53423339109987 87.620 > 14 *113 Re 0.39079246943433 0.37500000000000 0.35070102828268 186.207 > 15 114 Re 0.89079246943433 0.37500000000000 0.35070102828268 186.207 > 15 115 Re 0.39079246943433 0.87500000000000 0.35070102828268 186.207 > 15 116 Re 0.89079246943433 0.87500000000000 0.35070102828268 186.207 > 15 117 Re 0.39079246943433 0.37500000000000 0.85070102828268 186.207 > 15 118 Re 0.89079246943433 0.37500000000000 0.85070102828268 186.207 > 15 119 Re 0.39079246943433 0.87500000000000 0.85070102828268 186.207 > 15 120 Re 0.89079246943433 0.87500000000000 0.85070102828268 186.207 > 15 121 Re 0.10920753056567 0.12500000000000 0.14929897171732 186.207 > 16 122 Re 0.60920753056567 0.12500000000000 0.14929897171732 186.207 > 16 123 Re 0.10920753056567 0.62500000000000 0.14929897171732 186.207 > 16 124 Re 0.60920753056567 0.62500000000000 0.14929897171732 186.207 > 16 125 Re 0.10920753056567 0.12500000000000 0.64929897171732 186.207 > 16 126 Re 0.60920753056567 0.12500000000000 0.64929897171732 186.207 > 16 127 Re 0.10920753056567 0.62500000000000 0.64929897171732 186.207 > 16 128 Re 0.60920753056567 0.62500000000000 0.64929897171732 186.207 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3159124 0.0000000 0.0010162 0.0000000 5.3777606 0.0000000 0.0049169 0.0000000 5.2436017 -------------------------- Born effective charges -------------------------- 1 Li 0.9177743 0.0000000 -0.0725443 0.0000000 1.1350905 0.0000000 -0.1371908 0.0000000 1.1613496 2 Li 0.9177743 0.0000000 -0.0725443 0.0000000 1.1350905 0.0000000 -0.1371908 0.0000000 1.1613496 3 N -2.1793165 0.8084682 -0.2308358 0.7966131 -2.9974119 0.3142107 -0.2741211 0.2523394 -1.4697844 4 N -2.1793165 -0.8084682 -0.2308358 -0.7966131 -2.9974119 -0.3142107 -0.2741211 -0.2523394 -1.4697844 5 N -2.1793165 0.8084682 -0.2308358 0.7966131 -2.9974119 0.3142107 -0.2741211 0.2523394 -1.4697844 6 N -2.1793165 -0.8084682 -0.2308358 -0.7966131 -2.9974119 -0.3142107 -0.2741211 -0.2523394 -1.4697844 7 N -3.0358734 0.0000000 1.0359739 0.0000000 -1.3473205 0.0000000 1.3315489 0.0000000 -2.5031018 8 N -3.0358734 0.0000000 1.0359739 0.0000000 -1.3473205 0.0000000 1.3315489 0.0000000 -2.5031018 9 N -1.7165391 0.0000000 -0.4815062 0.0000000 -1.4829037 0.0000000 -0.9296975 0.0000000 -3.4033347 10 N -1.7165391 0.0000000 -0.4815062 0.0000000 -1.4829037 0.0000000 -0.9296975 0.0000000 -3.4033347 11 Sr 2.9552572 0.0000000 -0.4744922 0.0000000 2.5020095 0.0000000 0.0443153 0.0000000 1.9564655 12 Sr 2.9552572 0.0000000 -0.4744922 0.0000000 2.5020095 0.0000000 0.0443153 0.0000000 1.9564655 13 Sr 2.5388305 0.0000000 0.4304666 0.0000000 2.5726752 0.0000000 0.0507673 0.0000000 3.3282218 14 Sr 2.5388305 0.0000000 0.4304666 0.0000000 2.5726752 0.0000000 0.0507673 0.0000000 3.3282218 15 Re 2.6991835 0.0000000 0.0237738 0.0000000 2.6152729 0.0000000 0.1884989 0.0000000 2.3999685 16 Re 2.6991835 0.0000000 0.0237738 0.0000000 2.6152729 0.0000000 0.1884989 0.0000000 2.3999685 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2520 Number of blocks in projector: 2520 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: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 656 / 656 (1) 145 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 368 Use standard eigh solver. Tree of FC basis block matrices: - (2520, 2482), data: False |-- (368, 366), data: True |-- (368, 366), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (656, 643), data: False |-- (656, 11), data: (656, 24) @ (24, 11) |-- (156, 145), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 480 - Time: 0.900 Solver_block: 200 / 480 - Time: 0.787 Solver_block: 300 / 480 - Time: 1.366 Solver_block: 400 / 480 - Time: 0.757 Solver_block: 480 / 480 - Time: 1.208 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.389 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2520 Number of blocks in projector: 2520 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: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 656 / 656 (1) 145 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 368 Use standard eigh solver. Tree of FC basis block matrices: - (2520, 2482), data: False |-- (368, 366), data: True |-- (368, 366), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (656, 643), data: False |-- (656, 11), data: (656, 24) @ (24, 11) |-- (156, 145), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), 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 23:44:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:44:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.135586460496050 0.000000000000000 0.000000000000000 b 0.000000000000000 5.812456260000000 0.000000000000000 c -1.945576635642978 0.000000000000000 6.559031130445547 Atomic positions (fractional): 1 Li 0.19598367062952 0.25000000000000 0.81009585687800 6.941 2 Li 0.80401632937048 0.75000000000000 0.18990414312200 6.941 3 N 0.02872682086220 0.49702471019970 0.24796000636205 14.007 4 N 0.97127317913780 0.99702471019970 0.75203999363795 14.007 5 N 0.97127317913780 0.50297528980030 0.75203999363795 14.007 6 N 0.02872682086220 0.00297528980030 0.24796000636205 14.007 7 N 0.40274610653533 0.25000000000000 0.12707309755851 14.007 8 N 0.59725389346467 0.75000000000000 0.87292690244149 14.007 9 N 0.38519429996210 0.25000000000000 0.56673575556513 14.007 10 N 0.61480570003790 0.75000000000000 0.43326424443487 14.007 11 Sr 0.23735057883620 0.75000000000000 0.55679607562796 87.620 12 Sr 0.76264942116380 0.25000000000000 0.44320392437204 87.620 13 Sr 0.71938441096116 0.25000000000000 0.93153321780026 87.620 14 Sr 0.28061558903884 0.75000000000000 0.06846678219974 87.620 15 Re 0.78158493886865 0.75000000000000 0.70140205656536 186.207 16 Re 0.21841506113135 0.25000000000000 0.29859794343464 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.271172920992100 0.000000000000000 0.000000000000000 b 0.000000000000000 11.624912520000001 0.000000000000000 c -3.891153271285956 0.000000000000000 13.118062260891094 Atomic positions (fractional): 1 Li 0.09799183531476 0.12500000000000 0.40504792843900 6.941 > 1 2 Li 0.59799183531476 0.12500000000000 0.40504792843900 6.941 > 1 3 Li 0.09799183531476 0.62500000000000 0.40504792843900 6.941 > 1 4 Li 0.59799183531476 0.62500000000000 0.40504792843900 6.941 > 1 5 Li 0.09799183531476 0.12500000000000 0.90504792843900 6.941 > 1 6 Li 0.59799183531476 0.12500000000000 0.90504792843900 6.941 > 1 7 Li 0.09799183531476 0.62500000000000 0.90504792843900 6.941 > 1 8 Li 0.59799183531476 0.62500000000000 0.90504792843900 6.941 > 1 9 Li 0.40200816468524 0.37500000000000 0.09495207156100 6.941 > 9 10 Li 0.90200816468524 0.37500000000000 0.09495207156100 6.941 > 9 11 Li 0.40200816468524 0.87500000000000 0.09495207156100 6.941 > 9 12 Li 0.90200816468524 0.87500000000000 0.09495207156100 6.941 > 9 13 Li 0.40200816468524 0.37500000000000 0.59495207156100 6.941 > 9 14 Li 0.90200816468524 0.37500000000000 0.59495207156100 6.941 > 9 15 Li 0.40200816468524 0.87500000000000 0.59495207156100 6.941 > 9 16 Li 0.90200816468524 0.87500000000000 0.59495207156100 6.941 > 9 17 N 0.01436341043110 0.24851235509985 0.12398000318103 14.007 > 17 18 N 0.51436341043110 0.24851235509985 0.12398000318103 14.007 > 17 19 N 0.01436341043110 0.74851235509985 0.12398000318103 14.007 > 17 20 N 0.51436341043110 0.74851235509985 0.12398000318103 14.007 > 17 21 N 0.01436341043110 0.24851235509985 0.62398000318102 14.007 > 17 22 N 0.51436341043110 0.24851235509985 0.62398000318102 14.007 > 17 23 N 0.01436341043110 0.74851235509985 0.62398000318102 14.007 > 17 24 N 0.51436341043110 0.74851235509985 0.62398000318102 14.007 > 17 25 N 0.48563658956890 0.49851235509985 0.37601999681898 14.007 > 25 26 N 0.98563658956890 0.49851235509985 0.37601999681898 14.007 > 25 27 N 0.48563658956890 0.99851235509985 0.37601999681898 14.007 > 25 28 N 0.98563658956890 0.99851235509985 0.37601999681898 14.007 > 25 29 N 0.48563658956890 0.49851235509985 0.87601999681898 14.007 > 25 30 N 0.98563658956890 0.49851235509985 0.87601999681898 14.007 > 25 31 N 0.48563658956890 0.99851235509985 0.87601999681898 14.007 > 25 32 N 0.98563658956890 0.99851235509985 0.87601999681898 14.007 > 25 33 N 0.48563658956890 0.25148764490015 0.37601999681898 14.007 > 33 34 N 0.98563658956890 0.25148764490015 0.37601999681898 14.007 > 33 35 N 0.48563658956890 0.75148764490015 0.37601999681898 14.007 > 33 36 N 0.98563658956890 0.75148764490015 0.37601999681898 14.007 > 33 37 N 0.48563658956890 0.25148764490015 0.87601999681898 14.007 > 33 38 N 0.98563658956890 0.25148764490015 0.87601999681898 14.007 > 33 39 N 0.48563658956890 0.75148764490015 0.87601999681898 14.007 > 33 40 N 0.98563658956890 0.75148764490015 0.87601999681898 14.007 > 33 41 N 0.01436341043110 0.00148764490015 0.12398000318103 14.007 > 41 42 N 0.51436341043110 0.00148764490015 0.12398000318103 14.007 > 41 43 N 0.01436341043110 0.50148764490015 0.12398000318103 14.007 > 41 44 N 0.51436341043110 0.50148764490015 0.12398000318103 14.007 > 41 45 N 0.01436341043110 0.00148764490015 0.62398000318102 14.007 > 41 46 N 0.51436341043110 0.00148764490015 0.62398000318102 14.007 > 41 47 N 0.01436341043110 0.50148764490015 0.62398000318102 14.007 > 41 48 N 0.51436341043110 0.50148764490015 0.62398000318102 14.007 > 41 49 N 0.20137305326767 0.12500000000000 0.06353654877926 14.007 > 49 50 N 0.70137305326767 0.12500000000000 0.06353654877926 14.007 > 49 51 N 0.20137305326767 0.62500000000000 0.06353654877926 14.007 > 49 52 N 0.70137305326767 0.62500000000000 0.06353654877926 14.007 > 49 53 N 0.20137305326767 0.12500000000000 0.56353654877925 14.007 > 49 54 N 0.70137305326767 0.12500000000000 0.56353654877925 14.007 > 49 55 N 0.20137305326767 0.62500000000000 0.56353654877925 14.007 > 49 56 N 0.70137305326767 0.62500000000000 0.56353654877925 14.007 > 49 57 N 0.29862694673233 0.37500000000000 0.43646345122074 14.007 > 57 58 N 0.79862694673233 0.37500000000000 0.43646345122074 14.007 > 57 59 N 0.29862694673233 0.87500000000000 0.43646345122074 14.007 > 57 60 N 0.79862694673233 0.87500000000000 0.43646345122074 14.007 > 57 61 N 0.29862694673233 0.37500000000000 0.93646345122075 14.007 > 57 62 N 0.79862694673233 0.37500000000000 0.93646345122075 14.007 > 57 63 N 0.29862694673233 0.87500000000000 0.93646345122075 14.007 > 57 64 N 0.79862694673233 0.87500000000000 0.93646345122075 14.007 > 57 65 N 0.19259714998105 0.12500000000000 0.28336787778257 14.007 > 65 66 N 0.69259714998105 0.12500000000000 0.28336787778257 14.007 > 65 67 N 0.19259714998105 0.62500000000000 0.28336787778257 14.007 > 65 68 N 0.69259714998105 0.62500000000000 0.28336787778257 14.007 > 65 69 N 0.19259714998105 0.12500000000000 0.78336787778257 14.007 > 65 70 N 0.69259714998105 0.12500000000000 0.78336787778257 14.007 > 65 71 N 0.19259714998105 0.62500000000000 0.78336787778257 14.007 > 65 72 N 0.69259714998105 0.62500000000000 0.78336787778257 14.007 > 65 73 N 0.30740285001895 0.37500000000000 0.21663212221743 14.007 > 73 74 N 0.80740285001895 0.37500000000000 0.21663212221743 14.007 > 73 75 N 0.30740285001895 0.87500000000000 0.21663212221743 14.007 > 73 76 N 0.80740285001895 0.87500000000000 0.21663212221743 14.007 > 73 77 N 0.30740285001895 0.37500000000000 0.71663212221743 14.007 > 73 78 N 0.80740285001895 0.37500000000000 0.71663212221743 14.007 > 73 79 N 0.30740285001895 0.87500000000000 0.71663212221743 14.007 > 73 80 N 0.80740285001895 0.87500000000000 0.71663212221743 14.007 > 73 81 Sr 0.11867528941810 0.37500000000000 0.27839803781398 87.620 > 81 82 Sr 0.61867528941810 0.37500000000000 0.27839803781398 87.620 > 81 83 Sr 0.11867528941810 0.87500000000000 0.27839803781398 87.620 > 81 84 Sr 0.61867528941810 0.87500000000000 0.27839803781398 87.620 > 81 85 Sr 0.11867528941810 0.37500000000000 0.77839803781398 87.620 > 81 86 Sr 0.61867528941810 0.37500000000000 0.77839803781398 87.620 > 81 87 Sr 0.11867528941810 0.87500000000000 0.77839803781398 87.620 > 81 88 Sr 0.61867528941810 0.87500000000000 0.77839803781398 87.620 > 81 89 Sr 0.38132471058190 0.12500000000000 0.22160196218602 87.620 > 89 90 Sr 0.88132471058190 0.12500000000000 0.22160196218602 87.620 > 89 91 Sr 0.38132471058190 0.62500000000000 0.22160196218602 87.620 > 89 92 Sr 0.88132471058190 0.62500000000000 0.22160196218602 87.620 > 89 93 Sr 0.38132471058190 0.12500000000000 0.72160196218602 87.620 > 89 94 Sr 0.88132471058190 0.12500000000000 0.72160196218602 87.620 > 89 95 Sr 0.38132471058190 0.62500000000000 0.72160196218602 87.620 > 89 96 Sr 0.88132471058190 0.62500000000000 0.72160196218602 87.620 > 89 97 Sr 0.35969220548058 0.12500000000000 0.46576660890013 87.620 > 97 98 Sr 0.85969220548058 0.12500000000000 0.46576660890013 87.620 > 97 99 Sr 0.35969220548058 0.62500000000000 0.46576660890013 87.620 > 97 100 Sr 0.85969220548058 0.62500000000000 0.46576660890013 87.620 > 97 101 Sr 0.35969220548058 0.12500000000000 0.96576660890013 87.620 > 97 102 Sr 0.85969220548058 0.12500000000000 0.96576660890013 87.620 > 97 103 Sr 0.35969220548058 0.62500000000000 0.96576660890013 87.620 > 97 104 Sr 0.85969220548058 0.62500000000000 0.96576660890013 87.620 > 97 105 Sr 0.14030779451942 0.37500000000000 0.03423339109987 87.620 > 105 106 Sr 0.64030779451942 0.37500000000000 0.03423339109987 87.620 > 105 107 Sr 0.14030779451942 0.87500000000000 0.03423339109987 87.620 > 105 108 Sr 0.64030779451942 0.87500000000000 0.03423339109987 87.620 > 105 109 Sr 0.14030779451942 0.37500000000000 0.53423339109987 87.620 > 105 110 Sr 0.64030779451942 0.37500000000000 0.53423339109987 87.620 > 105 111 Sr 0.14030779451942 0.87500000000000 0.53423339109987 87.620 > 105 112 Sr 0.64030779451942 0.87500000000000 0.53423339109987 87.620 > 105 113 Re 0.39079246943433 0.37500000000000 0.35070102828268 186.207 > 113 114 Re 0.89079246943433 0.37500000000000 0.35070102828268 186.207 > 113 115 Re 0.39079246943433 0.87500000000000 0.35070102828268 186.207 > 113 116 Re 0.89079246943433 0.87500000000000 0.35070102828268 186.207 > 113 117 Re 0.39079246943433 0.37500000000000 0.85070102828268 186.207 > 113 118 Re 0.89079246943433 0.37500000000000 0.85070102828268 186.207 > 113 119 Re 0.39079246943433 0.87500000000000 0.85070102828268 186.207 > 113 120 Re 0.89079246943433 0.87500000000000 0.85070102828268 186.207 > 113 121 Re 0.10920753056567 0.12500000000000 0.14929897171732 186.207 > 121 122 Re 0.60920753056567 0.12500000000000 0.14929897171732 186.207 > 121 123 Re 0.10920753056567 0.62500000000000 0.14929897171732 186.207 > 121 124 Re 0.60920753056567 0.62500000000000 0.14929897171732 186.207 > 121 125 Re 0.10920753056567 0.12500000000000 0.64929897171732 186.207 > 121 126 Re 0.60920753056567 0.12500000000000 0.64929897171732 186.207 > 121 127 Re 0.10920753056567 0.62500000000000 0.64929897171732 186.207 > 121 128 Re 0.60920753056567 0.62500000000000 0.64929897171732 186.207 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3159124 0.0000000 0.0010162 0.0000000 5.3777606 0.0000000 0.0049169 0.0000000 5.2436017 -------------------------- Born effective charges -------------------------- 1 Li 0.9177743 0.0000000 -0.0725443 0.0000000 1.1350905 0.0000000 -0.1371908 0.0000000 1.1613496 2 Li 0.9177743 0.0000000 -0.0725443 0.0000000 1.1350905 0.0000000 -0.1371908 0.0000000 1.1613496 3 N -2.1793165 0.8084682 -0.2308358 0.7966131 -2.9974119 0.3142107 -0.2741211 0.2523394 -1.4697844 4 N -2.1793165 -0.8084682 -0.2308358 -0.7966131 -2.9974119 -0.3142107 -0.2741211 -0.2523394 -1.4697844 5 N -2.1793165 0.8084682 -0.2308358 0.7966131 -2.9974119 0.3142107 -0.2741211 0.2523394 -1.4697844 6 N -2.1793165 -0.8084682 -0.2308358 -0.7966131 -2.9974119 -0.3142107 -0.2741211 -0.2523394 -1.4697844 7 N -3.0358734 0.0000000 1.0359739 0.0000000 -1.3473205 0.0000000 1.3315489 0.0000000 -2.5031018 8 N -3.0358734 0.0000000 1.0359739 0.0000000 -1.3473205 0.0000000 1.3315489 0.0000000 -2.5031018 9 N -1.7165391 0.0000000 -0.4815062 0.0000000 -1.4829037 0.0000000 -0.9296975 0.0000000 -3.4033347 10 N -1.7165391 0.0000000 -0.4815062 0.0000000 -1.4829037 0.0000000 -0.9296975 0.0000000 -3.4033347 11 Sr 2.9552572 0.0000000 -0.4744922 0.0000000 2.5020095 0.0000000 0.0443153 0.0000000 1.9564655 12 Sr 2.9552572 0.0000000 -0.4744922 0.0000000 2.5020095 0.0000000 0.0443153 0.0000000 1.9564655 13 Sr 2.5388305 0.0000000 0.4304666 0.0000000 2.5726752 0.0000000 0.0507673 0.0000000 3.3282218 14 Sr 2.5388305 0.0000000 0.4304666 0.0000000 2.5726752 0.0000000 0.0507673 0.0000000 3.3282218 15 Re 2.6991835 0.0000000 0.0237738 0.0000000 2.6152729 0.0000000 0.1884989 0.0000000 2.3999685 16 Re 2.6991835 0.0000000 0.0237738 0.0000000 2.6152729 0.0000000 0.1884989 0.0000000 2.3999685 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 17, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 81, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 113, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000034 (xzx) 0.00000034 (xzx) 0.00000034 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000015 (zx) 0.00000015 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:45:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:45:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.135586460496050 0.000000000000000 0.000000000000000 b 0.000000000000000 5.812456260000000 0.000000000000000 c -1.945576635642978 0.000000000000000 6.559031130445547 Atomic positions (fractional): 1 Li 0.19598367062952 0.25000000000000 0.81009585687800 6.941 2 Li 0.80401632937048 0.75000000000000 0.18990414312200 6.941 3 N 0.02872682086220 0.49702471019970 0.24796000636205 14.007 4 N 0.97127317913780 0.99702471019970 0.75203999363795 14.007 5 N 0.97127317913780 0.50297528980030 0.75203999363795 14.007 6 N 0.02872682086220 0.00297528980030 0.24796000636205 14.007 7 N 0.40274610653533 0.25000000000000 0.12707309755851 14.007 8 N 0.59725389346467 0.75000000000000 0.87292690244149 14.007 9 N 0.38519429996210 0.25000000000000 0.56673575556513 14.007 10 N 0.61480570003790 0.75000000000000 0.43326424443487 14.007 11 Sr 0.23735057883620 0.75000000000000 0.55679607562796 87.620 12 Sr 0.76264942116380 0.25000000000000 0.44320392437204 87.620 13 Sr 0.71938441096116 0.25000000000000 0.93153321780026 87.620 14 Sr 0.28061558903884 0.75000000000000 0.06846678219974 87.620 15 Re 0.78158493886865 0.75000000000000 0.70140205656536 186.207 16 Re 0.21841506113135 0.25000000000000 0.29859794343464 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.271172920992100 0.000000000000000 0.000000000000000 b 0.000000000000000 11.624912520000001 0.000000000000000 c -3.891153271285956 0.000000000000000 13.118062260891094 Atomic positions (fractional): 1 Li 0.09799183531476 0.12500000000000 0.40504792843900 6.941 > 1 2 Li 0.59799183531476 0.12500000000000 0.40504792843900 6.941 > 1 3 Li 0.09799183531476 0.62500000000000 0.40504792843900 6.941 > 1 4 Li 0.59799183531476 0.62500000000000 0.40504792843900 6.941 > 1 5 Li 0.09799183531476 0.12500000000000 0.90504792843900 6.941 > 1 6 Li 0.59799183531476 0.12500000000000 0.90504792843900 6.941 > 1 7 Li 0.09799183531476 0.62500000000000 0.90504792843900 6.941 > 1 8 Li 0.59799183531476 0.62500000000000 0.90504792843900 6.941 > 1 9 Li 0.40200816468524 0.37500000000000 0.09495207156100 6.941 > 9 10 Li 0.90200816468524 0.37500000000000 0.09495207156100 6.941 > 9 11 Li 0.40200816468524 0.87500000000000 0.09495207156100 6.941 > 9 12 Li 0.90200816468524 0.87500000000000 0.09495207156100 6.941 > 9 13 Li 0.40200816468524 0.37500000000000 0.59495207156100 6.941 > 9 14 Li 0.90200816468524 0.37500000000000 0.59495207156100 6.941 > 9 15 Li 0.40200816468524 0.87500000000000 0.59495207156100 6.941 > 9 16 Li 0.90200816468524 0.87500000000000 0.59495207156100 6.941 > 9 17 N 0.01436341043110 0.24851235509985 0.12398000318103 14.007 > 17 18 N 0.51436341043110 0.24851235509985 0.12398000318103 14.007 > 17 19 N 0.01436341043110 0.74851235509985 0.12398000318103 14.007 > 17 20 N 0.51436341043110 0.74851235509985 0.12398000318103 14.007 > 17 21 N 0.01436341043110 0.24851235509985 0.62398000318102 14.007 > 17 22 N 0.51436341043110 0.24851235509985 0.62398000318102 14.007 > 17 23 N 0.01436341043110 0.74851235509985 0.62398000318102 14.007 > 17 24 N 0.51436341043110 0.74851235509985 0.62398000318102 14.007 > 17 25 N 0.48563658956890 0.49851235509985 0.37601999681898 14.007 > 25 26 N 0.98563658956890 0.49851235509985 0.37601999681898 14.007 > 25 27 N 0.48563658956890 0.99851235509985 0.37601999681898 14.007 > 25 28 N 0.98563658956890 0.99851235509985 0.37601999681898 14.007 > 25 29 N 0.48563658956890 0.49851235509985 0.87601999681898 14.007 > 25 30 N 0.98563658956890 0.49851235509985 0.87601999681898 14.007 > 25 31 N 0.48563658956890 0.99851235509985 0.87601999681898 14.007 > 25 32 N 0.98563658956890 0.99851235509985 0.87601999681898 14.007 > 25 33 N 0.48563658956890 0.25148764490015 0.37601999681898 14.007 > 33 34 N 0.98563658956890 0.25148764490015 0.37601999681898 14.007 > 33 35 N 0.48563658956890 0.75148764490015 0.37601999681898 14.007 > 33 36 N 0.98563658956890 0.75148764490015 0.37601999681898 14.007 > 33 37 N 0.48563658956890 0.25148764490015 0.87601999681898 14.007 > 33 38 N 0.98563658956890 0.25148764490015 0.87601999681898 14.007 > 33 39 N 0.48563658956890 0.75148764490015 0.87601999681898 14.007 > 33 40 N 0.98563658956890 0.75148764490015 0.87601999681898 14.007 > 33 41 N 0.01436341043110 0.00148764490015 0.12398000318103 14.007 > 41 42 N 0.51436341043110 0.00148764490015 0.12398000318103 14.007 > 41 43 N 0.01436341043110 0.50148764490015 0.12398000318103 14.007 > 41 44 N 0.51436341043110 0.50148764490015 0.12398000318103 14.007 > 41 45 N 0.01436341043110 0.00148764490015 0.62398000318102 14.007 > 41 46 N 0.51436341043110 0.00148764490015 0.62398000318102 14.007 > 41 47 N 0.01436341043110 0.50148764490015 0.62398000318102 14.007 > 41 48 N 0.51436341043110 0.50148764490015 0.62398000318102 14.007 > 41 49 N 0.20137305326767 0.12500000000000 0.06353654877926 14.007 > 49 50 N 0.70137305326767 0.12500000000000 0.06353654877926 14.007 > 49 51 N 0.20137305326767 0.62500000000000 0.06353654877926 14.007 > 49 52 N 0.70137305326767 0.62500000000000 0.06353654877926 14.007 > 49 53 N 0.20137305326767 0.12500000000000 0.56353654877925 14.007 > 49 54 N 0.70137305326767 0.12500000000000 0.56353654877925 14.007 > 49 55 N 0.20137305326767 0.62500000000000 0.56353654877925 14.007 > 49 56 N 0.70137305326767 0.62500000000000 0.56353654877925 14.007 > 49 57 N 0.29862694673233 0.37500000000000 0.43646345122074 14.007 > 57 58 N 0.79862694673233 0.37500000000000 0.43646345122074 14.007 > 57 59 N 0.29862694673233 0.87500000000000 0.43646345122074 14.007 > 57 60 N 0.79862694673233 0.87500000000000 0.43646345122074 14.007 > 57 61 N 0.29862694673233 0.37500000000000 0.93646345122075 14.007 > 57 62 N 0.79862694673233 0.37500000000000 0.93646345122075 14.007 > 57 63 N 0.29862694673233 0.87500000000000 0.93646345122075 14.007 > 57 64 N 0.79862694673233 0.87500000000000 0.93646345122075 14.007 > 57 65 N 0.19259714998105 0.12500000000000 0.28336787778257 14.007 > 65 66 N 0.69259714998105 0.12500000000000 0.28336787778257 14.007 > 65 67 N 0.19259714998105 0.62500000000000 0.28336787778257 14.007 > 65 68 N 0.69259714998105 0.62500000000000 0.28336787778257 14.007 > 65 69 N 0.19259714998105 0.12500000000000 0.78336787778257 14.007 > 65 70 N 0.69259714998105 0.12500000000000 0.78336787778257 14.007 > 65 71 N 0.19259714998105 0.62500000000000 0.78336787778257 14.007 > 65 72 N 0.69259714998105 0.62500000000000 0.78336787778257 14.007 > 65 73 N 0.30740285001895 0.37500000000000 0.21663212221743 14.007 > 73 74 N 0.80740285001895 0.37500000000000 0.21663212221743 14.007 > 73 75 N 0.30740285001895 0.87500000000000 0.21663212221743 14.007 > 73 76 N 0.80740285001895 0.87500000000000 0.21663212221743 14.007 > 73 77 N 0.30740285001895 0.37500000000000 0.71663212221743 14.007 > 73 78 N 0.80740285001895 0.37500000000000 0.71663212221743 14.007 > 73 79 N 0.30740285001895 0.87500000000000 0.71663212221743 14.007 > 73 80 N 0.80740285001895 0.87500000000000 0.71663212221743 14.007 > 73 81 Sr 0.11867528941810 0.37500000000000 0.27839803781398 87.620 > 81 82 Sr 0.61867528941810 0.37500000000000 0.27839803781398 87.620 > 81 83 Sr 0.11867528941810 0.87500000000000 0.27839803781398 87.620 > 81 84 Sr 0.61867528941810 0.87500000000000 0.27839803781398 87.620 > 81 85 Sr 0.11867528941810 0.37500000000000 0.77839803781398 87.620 > 81 86 Sr 0.61867528941810 0.37500000000000 0.77839803781398 87.620 > 81 87 Sr 0.11867528941810 0.87500000000000 0.77839803781398 87.620 > 81 88 Sr 0.61867528941810 0.87500000000000 0.77839803781398 87.620 > 81 89 Sr 0.38132471058190 0.12500000000000 0.22160196218602 87.620 > 89 90 Sr 0.88132471058190 0.12500000000000 0.22160196218602 87.620 > 89 91 Sr 0.38132471058190 0.62500000000000 0.22160196218602 87.620 > 89 92 Sr 0.88132471058190 0.62500000000000 0.22160196218602 87.620 > 89 93 Sr 0.38132471058190 0.12500000000000 0.72160196218602 87.620 > 89 94 Sr 0.88132471058190 0.12500000000000 0.72160196218602 87.620 > 89 95 Sr 0.38132471058190 0.62500000000000 0.72160196218602 87.620 > 89 96 Sr 0.88132471058190 0.62500000000000 0.72160196218602 87.620 > 89 97 Sr 0.35969220548058 0.12500000000000 0.46576660890013 87.620 > 97 98 Sr 0.85969220548058 0.12500000000000 0.46576660890013 87.620 > 97 99 Sr 0.35969220548058 0.62500000000000 0.46576660890013 87.620 > 97 100 Sr 0.85969220548058 0.62500000000000 0.46576660890013 87.620 > 97 101 Sr 0.35969220548058 0.12500000000000 0.96576660890013 87.620 > 97 102 Sr 0.85969220548058 0.12500000000000 0.96576660890013 87.620 > 97 103 Sr 0.35969220548058 0.62500000000000 0.96576660890013 87.620 > 97 104 Sr 0.85969220548058 0.62500000000000 0.96576660890013 87.620 > 97 105 Sr 0.14030779451942 0.37500000000000 0.03423339109987 87.620 > 105 106 Sr 0.64030779451942 0.37500000000000 0.03423339109987 87.620 > 105 107 Sr 0.14030779451942 0.87500000000000 0.03423339109987 87.620 > 105 108 Sr 0.64030779451942 0.87500000000000 0.03423339109987 87.620 > 105 109 Sr 0.14030779451942 0.37500000000000 0.53423339109987 87.620 > 105 110 Sr 0.64030779451942 0.37500000000000 0.53423339109987 87.620 > 105 111 Sr 0.14030779451942 0.87500000000000 0.53423339109987 87.620 > 105 112 Sr 0.64030779451942 0.87500000000000 0.53423339109987 87.620 > 105 113 Re 0.39079246943433 0.37500000000000 0.35070102828268 186.207 > 113 114 Re 0.89079246943433 0.37500000000000 0.35070102828268 186.207 > 113 115 Re 0.39079246943433 0.87500000000000 0.35070102828268 186.207 > 113 116 Re 0.89079246943433 0.87500000000000 0.35070102828268 186.207 > 113 117 Re 0.39079246943433 0.37500000000000 0.85070102828268 186.207 > 113 118 Re 0.89079246943433 0.37500000000000 0.85070102828268 186.207 > 113 119 Re 0.39079246943433 0.87500000000000 0.85070102828268 186.207 > 113 120 Re 0.89079246943433 0.87500000000000 0.85070102828268 186.207 > 113 121 Re 0.10920753056567 0.12500000000000 0.14929897171732 186.207 > 121 122 Re 0.60920753056567 0.12500000000000 0.14929897171732 186.207 > 121 123 Re 0.10920753056567 0.62500000000000 0.14929897171732 186.207 > 121 124 Re 0.60920753056567 0.62500000000000 0.14929897171732 186.207 > 121 125 Re 0.10920753056567 0.12500000000000 0.64929897171732 186.207 > 121 126 Re 0.60920753056567 0.12500000000000 0.64929897171732 186.207 > 121 127 Re 0.10920753056567 0.62500000000000 0.64929897171732 186.207 > 121 128 Re 0.60920753056567 0.62500000000000 0.64929897171732 186.207 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3159124 0.0000000 0.0010162 0.0000000 5.3777606 0.0000000 0.0049169 0.0000000 5.2436017 -------------------------- Born effective charges -------------------------- 1 Li 0.9177743 0.0000000 -0.0725443 0.0000000 1.1350905 0.0000000 -0.1371908 0.0000000 1.1613496 2 Li 0.9177743 0.0000000 -0.0725443 0.0000000 1.1350905 0.0000000 -0.1371908 0.0000000 1.1613496 3 N -2.1793165 0.8084682 -0.2308358 0.7966131 -2.9974119 0.3142107 -0.2741211 0.2523394 -1.4697844 4 N -2.1793165 -0.8084682 -0.2308358 -0.7966131 -2.9974119 -0.3142107 -0.2741211 -0.2523394 -1.4697844 5 N -2.1793165 0.8084682 -0.2308358 0.7966131 -2.9974119 0.3142107 -0.2741211 0.2523394 -1.4697844 6 N -2.1793165 -0.8084682 -0.2308358 -0.7966131 -2.9974119 -0.3142107 -0.2741211 -0.2523394 -1.4697844 7 N -3.0358734 0.0000000 1.0359739 0.0000000 -1.3473205 0.0000000 1.3315489 0.0000000 -2.5031018 8 N -3.0358734 0.0000000 1.0359739 0.0000000 -1.3473205 0.0000000 1.3315489 0.0000000 -2.5031018 9 N -1.7165391 0.0000000 -0.4815062 0.0000000 -1.4829037 0.0000000 -0.9296975 0.0000000 -3.4033347 10 N -1.7165391 0.0000000 -0.4815062 0.0000000 -1.4829037 0.0000000 -0.9296975 0.0000000 -3.4033347 11 Sr 2.9552572 0.0000000 -0.4744922 0.0000000 2.5020095 0.0000000 0.0443153 0.0000000 1.9564655 12 Sr 2.9552572 0.0000000 -0.4744922 0.0000000 2.5020095 0.0000000 0.0443153 0.0000000 1.9564655 13 Sr 2.5388305 0.0000000 0.4304666 0.0000000 2.5726752 0.0000000 0.0507673 0.0000000 3.3282218 14 Sr 2.5388305 0.0000000 0.4304666 0.0000000 2.5726752 0.0000000 0.0507673 0.0000000 3.3282218 15 Re 2.6991835 0.0000000 0.0237738 0.0000000 2.6152729 0.0000000 0.1884989 0.0000000 2.3999685 16 Re 2.6991835 0.0000000 0.0237738 0.0000000 2.6152729 0.0000000 0.1884989 0.0000000 2.3999685 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000034 (xzx) 0.00000034 (xzx) 0.00000034 (xxz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 287, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/185) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.394 ( 0.000 0.000 0.000) 0.000 7.731 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 10.592 ( 0.000 0.000 0.000) 0.000 10.667 ( 0.000 0.000 0.000) 0.000 11.134 ( 0.000 0.000 0.000) 0.000 11.766 ( 0.000 0.000 0.000) 0.000 11.848 ( 0.000 0.000 0.000) 0.000 11.873 ( 0.000 0.000 0.000) 0.000 12.716 ( 0.000 0.000 0.000) 0.000 13.030 ( 0.000 0.000 0.000) 0.000 13.533 ( 0.000 0.000 0.000) 0.000 13.631 ( 0.000 0.000 0.000) 0.000 13.772 ( 0.000 0.000 0.000) 0.000 14.008 ( 0.000 0.000 0.000) 0.000 14.188 ( 0.000 0.000 0.000) 0.000 22.891 ( 0.000 0.000 0.000) 0.000 23.165 ( 0.000 0.000 0.000) 0.000 24.541 ( 0.000 0.000 0.000) 0.000 24.932 ( 0.000 0.000 0.000) 0.000 25.010 ( 0.000 0.000 0.000) 0.000 25.098 ( 0.000 0.000 0.000) 0.000 28.762 ( 0.000 0.000 0.000) 0.000 28.782 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/185) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 17.930 0.000 4.722) 18.541 0.560 ( 28.229 0.000 7.114) 29.111 1.028 ( 53.612 0.000 7.204) 54.094 2.102 ( -1.425 0.000 4.445) 4.668 2.546 ( -0.779 0.000 -0.650) 1.015 2.627 ( -3.648 0.000 -2.837) 4.621 3.057 ( -2.218 0.000 -1.434) 2.641 3.158 ( 3.120 0.000 -0.881) 3.242 3.224 ( 4.627 0.000 1.369) 4.825 3.423 ( 0.538 0.000 0.215) 0.579 3.721 ( -1.619 0.000 14.020) 14.114 3.957 ( -1.895 0.000 -0.999) 2.142 4.161 ( 1.593 0.000 5.327) 5.560 4.490 ( 2.221 0.000 -6.010) 6.407 5.257 ( -0.933 0.000 2.907) 3.053 5.704 ( 0.317 0.000 1.377) 1.413 5.797 ( -4.199 0.000 -0.011) 4.199 5.993 ( 2.977 0.000 -2.910) 4.163 6.525 ( 0.254 0.000 -0.832) 0.870 6.584 ( -3.474 0.000 6.385) 7.269 6.772 ( -9.523 0.000 1.506) 9.641 7.334 ( -6.026 0.000 -0.507) 6.047 7.365 ( 0.996 0.000 -8.649) 8.706 7.704 ( -3.413 0.000 2.044) 3.979 8.488 ( -1.555 0.000 2.331) 2.802 8.672 ( 3.953 0.000 -11.372) 12.039 9.741 ( -1.055 0.000 -3.732) 3.878 10.509 ( -2.596 0.000 -2.880) 3.877 10.824 ( 9.748 0.000 5.389) 11.139 11.251 ( 6.337 0.000 -16.757) 17.916 11.756 ( -0.884 0.000 -0.660) 1.103 11.868 ( 1.540 0.000 2.087) 2.594 12.520 ( -10.249 0.000 17.196) 20.019 12.745 ( 0.280 0.000 6.312) 6.318 13.011 ( -0.511 0.000 -5.044) 5.070 13.503 ( -5.072 0.000 0.013) 5.072 13.638 ( 0.603 0.000 0.535) 0.806 13.783 ( 0.182 0.000 2.873) 2.879 13.993 ( -1.487 0.000 -0.585) 1.598 14.670 ( -1.603 0.000 9.059) 9.200 22.985 ( 9.440 0.000 -30.546) 31.972 23.159 ( -0.293 0.000 -1.150) 1.187 24.608 ( 7.016 0.000 1.197) 7.118 25.008 ( -0.107 0.000 -0.425) 0.438 25.097 ( -0.168 0.000 0.270) 0.318 26.410 ( -7.502 0.000 15.953) 17.629 28.731 ( -2.738 0.000 0.159) 2.742 29.054 ( 1.652 0.000 -0.601) 1.758 ======================= Grid point 2 (3/185) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 14.586 0.000 2.532) 14.804 1.089 ( 26.238 0.000 5.295) 26.767 1.996 ( 47.980 0.000 7.261) 48.527 2.105 ( -1.887 0.000 8.659) 8.862 2.490 ( -3.967 0.000 -3.689) 5.417 2.570 ( -0.683 0.000 -2.196) 2.300 2.962 ( -7.501 0.000 -0.297) 7.507 3.233 ( 5.089 0.000 0.188) 5.093 3.331 ( 5.937 0.000 1.795) 6.203 3.463 ( 4.842 0.000 -3.789) 6.148 3.812 ( 5.229 0.000 9.242) 10.619 3.899 ( -3.530 0.000 -1.908) 4.012 4.196 ( -2.273 0.000 7.436) 7.776 4.523 ( 5.395 0.000 -7.019) 8.853 5.243 ( -3.131 0.000 4.283) 5.306 5.683 ( -8.129 0.000 0.500) 8.144 5.725 ( 0.954 0.000 0.927) 1.330 6.045 ( 4.964 0.000 -5.389) 7.327 6.519 ( -1.978 0.000 -0.711) 2.102 6.541 ( -4.639 0.000 10.392) 11.380 6.547 ( -13.886 0.000 -3.668) 14.362 7.194 ( -8.178 0.000 -1.281) 8.278 7.329 ( -0.946 0.000 -3.903) 4.016 7.640 ( -4.740 0.000 2.758) 5.484 8.466 ( -2.288 0.000 2.753) 3.580 8.677 ( 1.960 0.000 -7.123) 7.388 9.692 ( -1.428 0.000 -4.881) 5.086 10.488 ( 1.216 0.000 -1.836) 2.202 11.033 ( 9.576 0.000 5.288) 10.939 11.288 ( 4.627 0.000 -7.079) 8.457 11.728 ( -1.513 0.000 -1.188) 1.924 11.924 ( 2.921 0.000 3.469) 4.535 12.416 ( -7.222 0.000 3.743) 8.134 12.774 ( -0.400 0.000 4.503) 4.521 12.967 ( -0.284 0.000 -7.695) 7.700 13.379 ( -7.789 0.000 -1.686) 7.969 13.659 ( 1.243 0.000 0.977) 1.581 13.802 ( 0.010 0.000 3.217) 3.217 13.950 ( -2.653 0.000 -1.074) 2.862 14.700 ( 0.686 0.000 4.656) 4.706 22.996 ( 3.433 0.000 -8.854) 9.496 23.145 ( 0.033 0.000 -2.906) 2.906 24.801 ( 13.051 0.000 2.069) 13.214 25.003 ( -0.070 0.000 -0.571) 0.576 25.094 ( -0.350 0.000 0.336) 0.485 26.318 ( -10.051 0.000 7.581) 12.589 28.691 ( -1.530 0.000 0.671) 1.670 29.070 ( 0.389 0.000 -0.835) 0.921 ======================= Grid point 3 (4/185) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 8.969 0.000 0.263) 8.973 1.557 ( 22.563 0.000 3.052) 22.768 2.135 ( -0.651 0.000 11.494) 11.513 2.398 ( -2.841 0.000 -6.607) 7.192 2.554 ( -0.372 0.000 -1.179) 1.236 2.682 ( 3.237 0.000 5.674) 6.533 2.917 ( 21.832 0.000 0.695) 21.843 3.332 ( 5.201 0.000 0.262) 5.208 3.451 ( 6.123 0.000 1.973) 6.433 3.546 ( 6.576 0.000 -3.085) 7.264 3.810 ( -4.902 0.000 -2.525) 5.514 4.013 ( 11.221 0.000 7.606) 13.556 4.164 ( -3.960 0.000 4.679) 6.130 4.586 ( 4.220 0.000 -5.885) 7.242 5.176 ( -6.698 0.000 3.215) 7.429 5.506 ( -11.054 0.000 -0.165) 11.055 5.752 ( 1.119 0.000 1.613) 1.963 6.108 ( 5.520 0.000 -6.923) 8.854 6.273 ( -12.526 0.000 -4.391) 13.274 6.433 ( -7.768 0.000 7.187) 10.583 6.548 ( -0.158 0.000 4.236) 4.239 7.047 ( -6.566 0.000 -2.120) 6.899 7.298 ( -0.655 0.000 -1.618) 1.745 7.569 ( -4.310 0.000 2.087) 4.789 8.437 ( -2.124 0.000 1.772) 2.766 8.667 ( 0.555 0.000 -4.626) 4.659 9.649 ( -0.644 0.000 -3.501) 3.560 10.513 ( 2.011 0.000 -1.264) 2.375 11.213 ( 7.211 0.000 4.151) 8.321 11.336 ( 3.459 0.000 -2.896) 4.511 11.691 ( -1.674 0.000 -1.402) 2.183 12.007 ( 3.969 0.000 3.663) 5.401 12.306 ( -5.841 0.000 -0.048) 5.842 12.781 ( -0.818 0.000 2.624) 2.749 12.928 ( 0.532 0.000 -6.836) 6.856 13.222 ( -7.888 0.000 -1.790) 8.088 13.693 ( 1.895 0.000 1.257) 2.273 13.817 ( -0.074 0.000 2.285) 2.286 13.889 ( -3.196 0.000 -1.364) 3.475 14.739 ( 1.255 0.000 2.686) 2.965 23.015 ( 1.260 0.000 -0.007) 1.260 23.130 ( 0.417 0.000 -4.475) 4.494 25.000 ( 0.039 0.000 -0.443) 0.444 25.088 ( -0.407 0.000 0.237) 0.471 25.090 ( 17.028 0.000 2.316) 17.185 26.122 ( -14.603 0.000 3.268) 14.964 28.687 ( 0.412 0.000 0.933) 1.019 29.059 ( -0.920 0.000 -0.848) 1.252 ======================= Grid point 4 (5/185) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 2.829 0.000 -0.303) 2.845 1.908 ( 12.945 0.000 0.943) 12.980 2.198 ( 0.708 0.000 9.410) 9.437 2.318 ( -1.500 0.000 -7.236) 7.390 2.532 ( -9.284 0.000 1.028) 9.341 2.544 ( -0.203 0.000 -0.361) 0.415 3.321 ( 9.868 0.000 1.709) 10.015 3.405 ( 2.598 0.000 -1.424) 2.962 3.573 ( 6.083 0.000 2.255) 6.487 3.698 ( -5.774 0.000 -2.585) 6.326 3.704 ( 10.007 0.000 0.811) 10.040 4.108 ( -2.150 0.000 1.840) 2.830 4.268 ( 9.481 0.000 4.792) 10.623 4.576 ( -2.112 0.000 -4.640) 5.098 5.061 ( -5.330 0.000 0.784) 5.388 5.323 ( -6.906 0.000 -0.024) 6.906 5.776 ( 0.508 0.000 0.911) 1.043 6.094 ( -4.606 0.000 -1.973) 5.010 6.161 ( 3.397 0.000 -4.703) 5.802 6.346 ( -4.592 0.000 4.802) 6.644 6.569 ( 0.202 0.000 2.166) 2.175 6.950 ( -2.647 0.000 -1.393) 2.991 7.289 ( 0.035 0.000 -0.377) 0.379 7.517 ( -1.960 0.000 0.759) 2.102 8.415 ( -0.889 0.000 0.536) 1.038 8.654 ( 0.035 0.000 -1.641) 1.641 9.631 ( -0.071 0.000 -1.198) 1.200 10.536 ( 0.846 0.000 -0.490) 0.977 11.324 ( 2.870 0.000 1.746) 3.360 11.372 ( 1.322 0.000 -0.695) 1.493 11.660 ( -0.898 0.000 -0.777) 1.187 12.100 ( 4.160 0.000 2.606) 4.909 12.206 ( -4.584 0.000 -1.412) 4.797 12.778 ( -0.406 0.000 0.909) 0.995 12.916 ( 0.891 0.000 -2.831) 2.968 13.100 ( -3.912 0.000 -0.724) 3.979 13.737 ( 1.913 0.000 1.080) 2.197 13.824 ( -0.036 0.000 0.819) 0.820 13.828 ( -2.444 0.000 -1.129) 2.692 14.767 ( 0.577 0.000 0.905) 1.073 23.036 ( 0.311 0.000 1.944) 1.969 23.114 ( 0.246 0.000 -3.052) 3.062 24.999 ( 0.046 0.000 -0.162) 0.169 25.083 ( -0.191 0.000 0.082) 0.208 25.415 ( 15.962 0.000 1.518) 16.034 25.847 ( -15.139 0.000 0.325) 15.142 28.703 ( 0.566 0.000 0.451) 0.724 29.039 ( -0.666 0.000 -0.375) 0.764 ======================= Grid point 9 (6/185) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 0.000 19.969 0.000) 19.969 0.529 ( 0.000 27.255 0.000) 27.255 0.972 ( 0.000 48.439 0.000) 48.439 2.129 ( 0.000 -0.759 0.000) 0.759 2.582 ( 0.000 2.195 0.000) 2.195 2.791 ( 0.000 12.021 0.000) 12.021 3.068 ( 0.000 -2.594 0.000) 2.594 3.092 ( 0.000 -2.851 0.000) 2.851 3.460 ( 0.000 0.446 0.000) 0.446 3.463 ( 0.000 4.400 0.000) 4.400 3.972 ( 0.000 -0.888 0.000) 0.888 4.097 ( 0.000 -2.625 0.000) 2.625 4.396 ( 0.000 12.073 0.000) 12.073 4.479 ( 0.000 -1.006 0.000) 1.006 5.228 ( 0.000 -2.987 0.000) 2.987 5.633 ( 0.000 -0.483 0.000) 0.483 5.816 ( 0.000 -1.707 0.000) 1.707 5.890 ( 0.000 -0.582 0.000) 0.582 6.360 ( 0.000 -2.889 0.000) 2.889 6.577 ( 0.000 -2.054 0.000) 2.054 6.651 ( 0.000 6.056 0.000) 6.056 7.365 ( 0.000 1.478 0.000) 1.478 7.463 ( 0.000 6.971 0.000) 6.971 7.755 ( 0.000 2.129 0.000) 2.129 8.475 ( 0.000 -1.967 0.000) 1.967 8.649 ( 0.000 -0.447 0.000) 0.447 10.429 ( 0.000 1.192 0.000) 1.192 10.571 ( 0.000 -2.208 0.000) 2.208 10.802 ( 0.000 -0.660 0.000) 0.660 11.162 ( 0.000 2.798 0.000) 2.798 11.657 ( 0.000 -6.749 0.000) 6.749 11.911 ( 0.000 6.084 0.000) 6.084 11.999 ( 0.000 8.727 0.000) 8.727 12.653 ( 0.000 -6.445 0.000) 6.445 13.006 ( 0.000 -2.437 0.000) 2.437 13.481 ( 0.000 -5.836 0.000) 5.836 13.749 ( 0.000 -1.701 0.000) 1.701 13.946 ( 0.000 -4.404 0.000) 4.404 14.108 ( 0.000 4.153 0.000) 4.153 14.234 ( 0.000 3.248 0.000) 3.248 22.888 ( 0.000 -0.230 0.000) 0.230 23.151 ( 0.000 -1.448 0.000) 1.448 24.497 ( 0.000 -4.392 0.000) 4.392 24.657 ( 0.000 -15.649 0.000) 15.649 25.443 ( 0.000 22.893 0.000) 22.893 26.981 ( 0.000 2.504 0.000) 2.504 28.745 ( 0.000 -1.782 0.000) 1.782 28.768 ( 0.000 -1.502 0.000) 1.502 ======================= Grid point 10 (7/185) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 19.691 17.977 6.828) 27.523 0.885 ( 22.373 23.035 4.501) 32.426 1.228 ( 35.134 28.640 3.622) 45.473 2.111 ( -2.047 -0.112 2.860) 3.519 2.585 ( 0.214 2.362 -0.127) 2.375 2.734 ( -4.959 11.675 -2.111) 12.859 3.039 ( -0.418 -0.857 -4.920) 5.012 3.114 ( 2.874 -2.207 -1.157) 3.804 3.424 ( -2.552 6.109 -1.186) 6.726 3.525 ( 2.377 3.290 8.345) 9.280 3.935 ( -12.370 15.907 0.618) 20.160 3.962 ( -8.035 6.421 -2.056) 10.489 4.142 ( 1.823 -1.524 3.860) 4.532 4.479 ( 1.625 -1.173 -4.668) 5.080 5.192 ( -1.080 -3.771 3.045) 4.966 5.689 ( 0.819 -1.413 1.019) 1.925 5.773 ( -4.456 -1.490 0.393) 4.715 6.064 ( 7.411 1.089 -2.341) 7.848 6.472 ( 3.304 -9.370 6.535) 11.892 6.563 ( -1.091 1.011 -0.733) 1.659 6.634 ( -3.117 -0.456 -0.158) 3.155 7.359 ( -0.222 1.047 -3.290) 3.460 7.431 ( -3.760 7.813 -0.933) 8.721 7.730 ( -3.319 2.328 2.235) 4.629 8.469 ( -0.986 -1.758 1.278) 2.387 8.656 ( 1.701 -1.066 -4.109) 4.573 10.099 ( -16.420 20.532 -9.095) 27.819 10.538 ( -1.952 2.505 -2.832) 4.255 10.791 ( 6.617 -2.578 4.709) 8.521 11.255 ( 6.380 0.270 -11.111) 12.815 11.722 ( 0.357 -5.265 3.352) 6.252 11.916 ( 1.665 5.918 1.726) 6.386 12.252 ( 6.548 -12.396 15.005) 20.535 12.653 ( 0.561 -6.851 0.306) 6.881 12.987 ( -0.475 -2.413 -5.116) 5.676 13.442 ( -4.157 -6.022 -0.862) 7.368 13.740 ( -1.948 -0.215 2.054) 2.839 13.851 ( -4.142 7.381 -1.299) 8.563 13.996 ( -2.761 1.620 0.607) 3.258 14.489 ( 8.521 -9.781 6.551) 14.532 22.934 ( 6.336 -2.581 -11.853) 13.686 23.146 ( -0.160 -1.371 -1.346) 1.928 24.483 ( 3.282 -7.858 0.666) 8.542 24.834 ( 9.251 -14.257 4.648) 17.619 25.386 ( -4.011 23.607 -0.731) 23.956 26.708 ( -16.989 16.554 1.461) 23.765 28.700 ( -2.326 -2.734 0.391) 3.610 28.922 ( 7.027 -7.756 0.832) 10.498 ======================= Grid point 11 (8/185) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 12.720 31.968 5.959) 34.918 1.199 ( 22.448 14.244 2.411) 26.695 2.012 ( 28.222 3.208 4.986) 28.838 2.137 ( 13.841 3.296 7.761) 16.207 2.588 ( 0.365 2.685 -0.240) 2.720 2.624 ( -4.537 12.418 -3.305) 13.628 2.987 ( -4.244 2.288 -1.716) 5.117 3.184 ( 5.808 -3.546 -2.509) 7.253 3.391 ( -0.440 5.163 2.387) 5.705 3.608 ( 3.791 8.484 0.589) 9.311 3.796 ( -2.471 3.219 1.317) 4.266 3.952 ( 2.357 3.780 2.677) 5.198 4.177 ( -1.596 -1.888 5.389) 5.929 4.506 ( 4.831 -1.692 -6.136) 7.991 5.196 ( -1.395 -2.822 4.484) 5.479 5.656 ( -8.141 -2.078 -0.629) 8.425 5.703 ( -0.044 -1.999 1.692) 2.620 6.143 ( 4.869 3.548 -5.565) 8.202 6.432 ( -9.789 -5.275 2.363) 11.368 6.538 ( -6.031 -2.265 1.403) 6.593 6.568 ( 0.798 5.799 2.013) 6.190 7.297 ( -6.428 8.044 -1.304) 10.379 7.348 ( -2.021 3.589 -2.737) 4.945 7.667 ( -5.020 2.413 3.113) 6.381 8.453 ( -1.514 -1.193 1.525) 2.458 8.660 ( 1.211 -1.577 -4.640) 5.048 9.866 ( -6.450 15.268 -6.634) 17.853 10.519 ( 0.635 3.038 -1.229) 3.338 10.965 ( 8.683 -6.002 4.780) 11.588 11.303 ( 4.085 0.878 -5.268) 6.724 11.727 ( -0.265 -0.667 0.081) 0.723 11.973 ( 2.869 5.309 3.195) 6.828 12.307 ( -3.393 -9.244 4.519) 10.835 12.679 ( 0.928 -8.169 2.290) 8.535 12.943 ( -0.335 -2.494 -7.736) 8.136 13.326 ( -7.472 -5.605 -1.689) 9.493 13.715 ( -1.216 2.448 1.440) 3.090 13.826 ( -0.259 3.648 1.571) 3.981 13.946 ( -3.026 -0.085 -0.570) 3.081 14.607 ( 2.850 -8.065 4.313) 9.580 22.972 ( 3.279 -1.884 -5.440) 6.625 23.133 ( 0.101 -1.206 -2.837) 3.084 24.610 ( 8.545 -11.038 2.344) 14.155 24.982 ( 5.695 -7.103 1.727) 9.266 25.337 ( -0.668 21.342 0.049) 21.352 26.464 ( -13.228 12.625 2.883) 18.512 28.670 ( -1.094 -2.077 0.731) 2.459 28.996 ( 1.746 -6.575 -0.517) 6.823 ======================= Grid point 12 (9/185) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 8.457 37.269 1.125) 38.233 1.618 ( 20.606 6.315 2.616) 21.710 2.115 ( 0.322 -1.946 10.297) 10.484 2.473 ( -2.877 8.004 -4.125) 9.453 2.577 ( 0.637 2.390 -1.514) 2.899 2.755 ( 2.540 7.026 4.788) 8.873 2.979 ( 19.872 6.057 0.137) 20.775 3.282 ( 6.008 -4.483 -2.955) 8.058 3.435 ( 3.153 1.733 3.858) 5.275 3.676 ( 4.227 7.870 -1.476) 9.055 3.760 ( -1.370 -1.918 -1.457) 2.771 4.093 ( 8.085 5.460 7.051) 12.038 4.150 ( -1.892 -0.829 2.667) 3.374 4.566 ( 4.030 -1.919 -5.210) 6.860 5.170 ( -4.260 0.268 3.610) 5.590 5.476 ( -10.743 -2.259 -0.669) 10.999 5.712 ( 0.020 -3.820 1.531) 4.115 6.176 ( -1.669 -3.750 -4.585) 6.154 6.241 ( -4.540 4.863 -5.767) 8.804 6.440 ( -7.193 -0.461 6.464) 9.682 6.598 ( 0.825 6.955 3.238) 7.716 7.159 ( -6.727 11.196 -1.691) 13.170 7.319 ( -0.337 2.260 -1.268) 2.613 7.589 ( -4.927 1.833 2.272) 5.727 8.433 ( -1.383 -0.395 0.908) 1.701 8.650 ( 0.281 -1.656 -3.458) 3.844 9.758 ( -2.711 10.649 -4.029) 11.704 10.533 ( 1.207 1.975 -0.850) 2.466 11.138 ( 7.439 -6.591 4.178) 10.781 11.343 ( 2.174 -0.206 -2.070) 3.009 11.719 ( -0.239 2.576 -1.284) 2.889 12.046 ( 3.071 4.067 3.387) 6.118 12.244 ( -4.119 -5.897 0.512) 7.211 12.701 ( 0.178 -7.739 2.049) 8.007 12.903 ( 0.518 -2.640 -6.839) 7.349 13.172 ( -7.873 -5.200 -1.802) 9.606 13.716 ( 0.467 1.335 1.296) 1.918 13.834 ( -0.081 2.087 1.592) 2.626 13.881 ( -3.448 -0.609 -1.206) 3.703 14.665 ( 1.682 -7.232 2.584) 7.861 23.000 ( 1.393 -1.248 0.516) 1.940 23.119 ( 0.389 -1.056 -4.140) 4.290 24.772 ( 6.854 -11.654 1.917) 13.656 25.071 ( 3.329 -1.877 0.556) 3.862 25.388 ( 7.018 18.342 0.956) 19.662 26.218 ( -15.545 9.585 1.277) 18.307 28.671 ( 0.613 -1.579 0.905) 1.920 28.999 ( -0.514 -5.706 -0.775) 5.782 ======================= Grid point 13 (10/185) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 2.732 37.978 -0.113) 38.077 1.930 ( 10.824 2.482 0.385) 11.112 2.204 ( 3.439 -0.545 9.977) 10.567 2.362 ( -5.256 6.921 -6.747) 11.002 2.581 ( 0.675 4.423 0.151) 4.476 2.643 ( -6.790 8.966 0.162) 11.248 3.320 ( 6.711 -1.642 3.790) 7.880 3.351 ( 3.668 -3.592 -4.736) 6.985 3.533 ( 3.820 -1.407 2.351) 4.701 3.689 ( -1.266 2.073 -1.050) 2.646 3.839 ( 8.841 8.698 0.235) 12.404 4.097 ( -2.036 -1.319 1.600) 2.906 4.322 ( 8.931 4.655 4.935) 11.215 4.554 ( -2.793 -2.099 -4.636) 5.805 5.091 ( -4.147 3.480 0.932) 5.494 5.306 ( -5.997 -1.348 -0.120) 6.148 5.718 ( -0.089 -5.169 0.787) 5.229 6.046 ( -4.334 -4.566 -1.684) 6.517 6.251 ( 3.474 6.215 -5.809) 9.189 6.358 ( -4.780 0.154 5.494) 7.284 6.627 ( 0.578 7.648 1.767) 7.871 7.060 ( -2.829 11.675 -1.070) 12.061 7.318 ( 0.371 2.887 -0.278) 2.924 7.526 ( -2.420 0.888 0.794) 2.698 8.417 ( -0.563 0.271 0.247) 0.672 8.638 ( -0.037 -1.598 -1.266) 2.039 9.714 ( -0.715 8.454 -1.331) 8.587 10.546 ( 0.516 1.083 -0.337) 1.246 11.268 ( 4.398 -5.250 2.726) 7.371 11.348 ( -0.757 -2.650 -1.405) 3.093 11.708 ( -0.167 4.471 -0.846) 4.553 12.115 ( 2.819 1.497 2.279) 3.922 12.177 ( -3.114 -2.664 -0.932) 4.203 12.710 ( -0.002 -6.985 0.828) 7.034 12.894 ( 1.202 -2.241 -2.818) 3.796 13.047 ( -4.260 -5.574 -0.749) 7.056 13.741 ( 1.377 0.187 0.949) 1.683 13.816 ( -2.523 -0.944 -0.692) 2.781 13.840 ( -0.016 1.651 0.314) 1.681 14.696 ( 0.633 -7.129 0.875) 7.211 23.025 ( 0.390 -1.061 1.799) 2.125 23.105 ( 0.210 -0.928 -2.745) 2.905 24.859 ( 2.090 -9.663 0.607) 9.905 25.106 ( 0.659 1.277 0.105) 1.441 25.606 ( 15.200 13.667 1.502) 20.496 25.918 ( -17.272 8.956 -0.594) 19.465 28.690 ( 0.626 -1.387 0.430) 1.581 28.983 ( -0.577 -5.415 -0.362) 5.458 ======================= Grid point 18 (11/185) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 23.449 0.000) 23.449 1.032 ( 0.000 25.106 0.000) 25.106 1.819 ( 0.000 39.457 0.000) 39.457 2.110 ( 0.000 -0.971 0.000) 0.971 2.630 ( 0.000 3.014 0.000) 3.014 2.907 ( 0.000 -12.241 0.000) 12.241 3.079 ( 0.000 -0.584 0.000) 0.584 3.082 ( 0.000 16.074 0.000) 16.074 3.493 ( 0.000 4.037 0.000) 4.037 3.574 ( 0.000 5.878 0.000) 5.878 3.923 ( 0.000 -4.607 0.000) 4.607 4.040 ( 0.000 -2.496 0.000) 2.496 4.449 ( 0.000 -2.230 0.000) 2.230 4.643 ( 0.000 10.074 0.000) 10.074 5.163 ( 0.000 -1.952 0.000) 1.952 5.615 ( 0.000 -1.510 0.000) 1.510 5.783 ( 0.000 -1.445 0.000) 1.445 5.876 ( 0.000 -0.878 0.000) 0.878 6.287 ( 0.000 -4.111 0.000) 4.111 6.517 ( 0.000 -4.294 0.000) 4.294 6.859 ( 0.000 16.038 0.000) 16.038 7.408 ( 0.000 2.939 0.000) 2.939 7.643 ( 0.000 11.090 0.000) 11.090 7.788 ( 0.000 0.551 0.000) 0.551 8.440 ( 0.000 -1.100 0.000) 1.100 8.637 ( 0.000 -0.862 0.000) 0.862 10.443 ( 0.000 0.045 0.000) 0.045 10.514 ( 0.000 -3.470 0.000) 3.470 10.814 ( 0.000 2.405 0.000) 2.405 11.221 ( 0.000 2.461 0.000) 2.461 11.553 ( 0.000 -3.443 0.000) 3.443 12.050 ( 0.000 7.297 0.000) 7.297 12.168 ( 0.000 8.648 0.000) 8.648 12.482 ( 0.000 -10.675 0.000) 10.675 12.941 ( 0.000 -4.233 0.000) 4.233 13.302 ( 0.000 -12.417 0.000) 12.417 13.731 ( 0.000 0.101 0.000) 0.101 13.886 ( 0.000 -1.761 0.000) 1.761 14.192 ( 0.000 4.181 0.000) 4.181 14.284 ( 0.000 1.871 0.000) 1.871 22.886 ( 0.000 0.134 0.000) 0.134 23.112 ( 0.000 -2.620 0.000) 2.620 24.386 ( 0.000 -6.728 0.000) 6.728 24.398 ( 0.000 -11.341 0.000) 11.341 25.898 ( 0.000 24.207 0.000) 24.207 27.035 ( 0.000 2.603 0.000) 2.603 28.698 ( 0.000 -2.991 0.000) 2.991 28.727 ( 0.000 -2.653 0.000) 2.653 ======================= Grid point 19 (12/185) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 16.604 18.621 8.306) 26.295 1.199 ( 26.724 17.743 1.184) 32.100 1.944 ( 13.939 37.629 1.999) 40.178 2.097 ( -1.631 -0.952 1.733) 2.563 2.634 ( 0.394 3.086 0.038) 3.111 2.896 ( 1.424 -5.045 -5.422) 7.542 3.079 ( -0.649 5.237 -0.182) 5.280 3.105 ( 1.263 8.680 1.231) 8.858 3.515 ( 1.897 1.579 -0.580) 2.536 3.571 ( -1.731 5.823 6.895) 9.189 3.909 ( -0.835 -4.177 2.193) 4.792 4.083 ( 3.682 -2.557 -1.460) 4.714 4.356 ( -20.807 14.984 -1.912) 25.712 4.446 ( 1.357 -2.021 -5.802) 6.292 5.162 ( 0.067 1.050 2.866) 3.054 5.646 ( 0.081 -3.237 0.786) 3.332 5.747 ( -4.131 -1.113 0.838) 4.360 5.996 ( 7.811 -5.450 0.222) 9.527 6.324 ( 2.756 -5.876 1.038) 6.573 6.510 ( -1.020 -4.712 0.007) 4.821 6.845 ( -1.187 18.153 0.410) 18.196 7.396 ( -0.644 2.853 -1.813) 3.441 7.623 ( -2.136 11.491 -0.948) 11.727 7.768 ( -2.980 0.929 2.707) 4.131 8.437 ( -0.120 -1.013 -0.424) 1.105 8.635 ( -0.087 -1.186 -0.656) 1.358 10.345 ( -8.083 6.706 -4.371) 11.376 10.556 ( 3.096 -1.731 -0.029) 3.547 10.782 ( -0.977 2.823 1.898) 3.539 11.260 ( 3.902 -0.026 -3.652) 5.344 11.605 ( 3.177 -4.530 5.577) 7.856 12.066 ( 1.477 7.245 1.149) 7.483 12.181 ( -0.092 2.832 1.588) 3.248 12.484 ( 0.477 -10.221 -0.279) 10.236 12.920 ( -0.784 -4.534 -4.815) 6.660 13.267 ( -3.583 -11.893 -0.934) 12.456 13.730 ( -0.392 0.113 1.171) 1.240 13.892 ( 0.281 -0.617 0.292) 0.739 14.088 ( -6.590 5.763 -0.696) 8.782 14.375 ( 4.350 -3.369 3.253) 6.392 22.906 ( 2.755 -0.499 -2.971) 4.083 23.108 ( 0.058 -2.456 -1.306) 2.782 24.338 ( 1.772 -7.010 0.440) 7.244 24.587 ( 10.877 -11.551 5.472) 16.783 25.852 ( -4.183 24.522 -0.704) 24.886 26.924 ( -10.013 7.092 -1.835) 12.407 28.646 ( -2.473 -2.728 0.287) 3.694 28.805 ( 4.495 -5.168 0.155) 6.851 ======================= Grid point 20 (13/185) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 16.186 14.297 5.479) 22.280 1.709 ( 21.159 18.061 4.642) 28.204 2.072 ( -1.784 0.947 2.636) 3.321 2.369 ( 28.047 22.743 3.101) 36.242 2.649 ( 1.620 4.272 0.575) 4.605 2.908 ( 1.289 10.544 -1.379) 10.712 3.039 ( -2.104 5.263 -2.313) 6.122 3.140 ( 2.825 1.530 -0.964) 3.354 3.514 ( -1.318 6.666 1.478) 6.954 3.610 ( 1.052 -2.903 5.142) 5.997 3.930 ( -0.257 1.304 0.519) 1.427 4.080 ( -2.819 11.189 -0.489) 11.549 4.131 ( -0.614 -2.256 0.862) 2.492 4.461 ( 3.578 -2.956 -4.407) 6.401 5.190 ( 0.576 2.544 4.265) 5.000 5.605 ( -5.611 -3.585 -1.697) 6.872 5.665 ( -4.189 -1.362 2.628) 5.130 6.075 ( 1.712 -7.108 -1.537) 7.471 6.340 ( -1.488 -5.002 -1.793) 5.518 6.468 ( -3.924 -4.652 1.583) 6.288 6.844 ( 0.830 20.712 1.138) 20.759 7.371 ( -0.800 3.061 -2.076) 3.784 7.554 ( -4.597 13.473 -1.149) 14.282 7.710 ( -5.184 1.482 3.635) 6.502 8.432 ( -0.051 -0.650 -0.807) 1.037 8.626 ( -0.361 -1.843 -1.159) 2.207 10.160 ( -8.093 13.606 -5.917) 16.901 10.587 ( 0.167 3.140 0.299) 3.158 10.849 ( 5.685 -4.712 4.447) 8.620 11.302 ( 2.346 -1.178 -2.090) 3.356 11.700 ( 4.186 -1.410 3.411) 5.580 12.109 ( 1.939 4.001 1.945) 4.853 12.161 ( -2.452 -0.928 0.803) 2.742 12.497 ( 0.888 -10.342 0.099) 10.381 12.869 ( -1.042 -5.414 -7.175) 9.048 13.167 ( -6.321 -10.513 -1.829) 12.403 13.729 ( -0.540 0.314 1.357) 1.494 13.890 ( -0.746 1.126 0.506) 1.443 13.978 ( -5.213 3.801 -0.581) 6.477 14.448 ( 2.045 -7.858 3.150) 8.709 22.943 ( 2.507 -0.907 -1.618) 3.119 23.101 ( 0.282 -2.119 -2.544) 3.323 24.439 ( 7.423 -6.790 2.869) 10.461 24.808 ( 9.997 -10.325 4.240) 14.984 25.775 ( -3.028 23.658 -0.670) 23.861 26.702 ( -12.936 10.758 -1.557) 16.896 28.621 ( -0.536 -2.675 0.665) 2.808 28.862 ( 1.755 -6.880 -0.513) 7.119 ======================= Grid point 21 (14/185) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 14.582 8.355 3.644) 17.197 2.021 ( 7.608 20.982 -0.414) 22.323 2.088 ( 6.169 2.718 8.178) 10.598 2.639 ( 2.931 5.828 -0.853) 6.579 2.731 ( -1.439 17.309 -0.561) 17.378 2.913 ( -3.084 8.450 1.774) 9.169 3.120 ( 13.514 7.564 -0.211) 15.488 3.214 ( 8.274 -0.490 -3.111) 8.853 3.515 ( -0.542 5.298 4.307) 6.849 3.658 ( 4.481 -2.494 1.352) 5.303 3.894 ( 0.898 8.226 -2.639) 8.685 4.096 ( -2.988 -2.010 3.670) 5.142 4.206 ( 9.483 3.090 2.014) 10.175 4.519 ( 4.113 -2.790 -2.953) 5.781 5.214 ( -0.734 4.347 3.769) 5.800 5.441 ( -10.050 -1.184 -1.319) 10.206 5.626 ( -2.046 -4.636 1.549) 5.298 6.040 ( -4.834 -7.843 -1.581) 9.347 6.288 ( 0.495 -1.461 -7.743) 7.895 6.402 ( -5.433 -3.219 6.171) 8.829 6.876 ( 1.603 20.692 1.241) 20.791 7.352 ( -0.155 4.461 -1.675) 4.767 7.461 ( -4.519 15.341 -0.456) 15.999 7.625 ( -5.718 1.529 2.493) 6.423 8.428 ( 0.057 0.015 -0.862) 0.864 8.611 ( -0.592 -2.325 -1.033) 2.612 10.011 ( -5.162 14.554 -4.078) 15.972 10.582 ( -0.497 2.914 0.163) 2.961 10.997 ( 7.264 -7.345 4.839) 11.408 11.316 ( -0.211 -2.622 -1.074) 2.842 11.777 ( 2.873 3.322 0.053) 4.392 12.110 ( -1.789 -7.010 0.828) 7.282 12.162 ( 1.277 7.390 2.220) 7.821 12.515 ( 0.859 -10.939 0.268) 10.975 12.820 ( -0.048 -6.526 -5.920) 8.811 13.030 ( -7.150 -8.989 -2.311) 11.716 13.729 ( 0.024 0.461 0.981) 1.084 13.867 ( -2.886 0.396 0.430) 2.945 13.897 ( -2.452 2.679 -0.720) 3.702 14.490 ( 1.136 -10.326 2.172) 10.613 22.978 ( 1.455 -0.912 1.051) 2.013 23.091 ( 0.390 -1.802 -3.382) 3.851 24.599 ( 7.445 -6.394 2.895) 10.232 24.983 ( 7.127 -7.209 2.394) 10.416 25.761 ( 2.266 20.528 0.160) 20.653 26.444 ( -14.425 12.449 -1.587) 19.121 28.630 ( 0.934 -2.507 0.752) 2.779 28.869 ( -0.352 -7.335 -0.730) 7.379 ======================= Grid point 22 (15/185) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 7.310 5.151 0.302) 8.948 2.036 ( -1.489 5.831 1.804) 6.282 2.343 ( 13.176 18.078 4.255) 22.771 2.580 ( -10.511 18.498 -1.938) 21.364 2.699 ( 2.844 8.219 -0.356) 8.704 2.835 ( -4.337 10.350 0.091) 11.222 3.215 ( 1.400 -5.495 -0.872) 5.737 3.364 ( 4.000 2.429 -0.816) 4.750 3.518 ( -0.473 -0.699 1.092) 1.380 3.775 ( 2.983 6.195 0.388) 6.887 4.009 ( 10.577 8.580 0.372) 13.625 4.063 ( -1.422 -1.532 1.130) 2.376 4.380 ( 7.492 -0.665 3.501) 8.296 4.523 ( -3.461 0.102 -2.922) 4.531 5.198 ( -1.944 7.413 1.284) 7.770 5.288 ( -4.553 -0.249 -0.420) 4.579 5.605 ( -0.824 -6.170 0.619) 6.256 5.932 ( -4.039 -7.022 -1.261) 8.198 6.292 ( 3.929 -1.912 -7.749) 8.896 6.341 ( -5.148 -1.571 7.287) 9.059 6.905 ( 0.786 20.186 0.584) 20.210 7.338 ( -0.581 11.243 -0.993) 11.302 7.413 ( -0.562 11.089 0.215) 11.106 7.546 ( -3.233 1.099 0.816) 3.511 8.425 ( 0.055 0.572 -0.386) 0.693 8.598 ( -0.314 -2.524 -0.386) 2.572 9.933 ( -1.738 13.788 -1.403) 13.968 10.576 ( -0.214 1.909 0.040) 1.921 11.145 ( 5.879 -7.068 3.773) 9.938 11.274 ( -3.243 -4.854 -2.070) 6.194 11.804 ( 0.639 4.945 -0.697) 5.035 12.099 ( -0.134 -3.428 0.653) 3.492 12.187 ( 0.383 4.608 1.042) 4.739 12.528 ( 0.388 -11.381 0.079) 11.387 12.820 ( 2.704 -6.810 -1.833) 7.553 12.900 ( -5.699 -8.366 -1.467) 10.229 13.745 ( 1.234 0.450 0.606) 1.447 13.802 ( -2.984 -0.165 -0.505) 3.031 13.878 ( -0.349 1.802 0.072) 1.837 14.512 ( 0.412 -11.450 0.762) 11.483 23.003 ( 0.481 -0.997 1.398) 1.783 23.080 ( 0.170 -1.543 -2.093) 2.606 24.709 ( 2.951 -5.592 1.164) 6.429 25.080 ( 2.512 -4.557 0.722) 5.253 25.861 ( 7.149 14.322 1.040) 16.041 26.186 ( -11.554 16.336 -1.498) 20.065 28.652 ( 0.738 -2.451 0.350) 2.584 28.854 ( -0.553 -7.444 -0.348) 7.472 ======================= Grid point 27 (16/185) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 25.571 0.000) 25.571 1.474 ( 0.000 20.677 0.000) 20.677 2.061 ( 0.000 -2.881 0.000) 2.881 2.502 ( 0.000 30.306 0.000) 30.306 2.617 ( 0.000 -17.656 0.000) 17.656 2.705 ( 0.000 4.946 0.000) 4.946 3.050 ( 0.000 -2.835 0.000) 2.835 3.298 ( 0.000 5.163 0.000) 5.163 3.626 ( 0.000 -1.219 0.000) 1.219 3.673 ( 0.000 13.875 0.000) 13.875 3.796 ( 0.000 -7.296 0.000) 7.296 4.052 ( 0.000 4.433 0.000) 4.433 4.392 ( 0.000 -3.805 0.000) 3.805 4.644 ( 0.000 -9.486 0.000) 9.486 5.238 ( 0.000 8.663 0.000) 8.663 5.573 ( 0.000 -2.847 0.000) 2.847 5.768 ( 0.000 -0.027 0.000) 0.027 5.855 ( 0.000 -1.431 0.000) 1.431 6.225 ( 0.000 -1.889 0.000) 1.889 6.417 ( 0.000 -5.926 0.000) 5.926 7.247 ( 0.000 23.119 0.000) 23.119 7.477 ( 0.000 4.292 0.000) 4.292 7.761 ( 0.000 -3.294 0.000) 3.294 7.841 ( 0.000 8.017 0.000) 8.017 8.447 ( 0.000 1.824 0.000) 1.824 8.613 ( 0.000 -1.803 0.000) 1.803 10.431 ( 0.000 -1.056 0.000) 1.056 10.451 ( 0.000 -2.833 0.000) 2.833 10.893 ( 0.000 5.438 0.000) 5.438 11.218 ( 0.000 -3.053 0.000) 3.053 11.553 ( 0.000 3.550 0.000) 3.550 12.091 ( 0.000 -7.045 0.000) 7.045 12.324 ( 0.000 7.574 0.000) 7.574 12.346 ( 0.000 0.832 0.000) 0.832 12.851 ( 0.000 -5.052 0.000) 5.052 13.042 ( 0.000 -13.742 0.000) 13.742 13.753 ( 0.000 2.020 0.000) 2.020 13.865 ( 0.000 -0.837 0.000) 0.837 14.258 ( 0.000 2.709 0.000) 2.709 14.307 ( 0.000 0.555 0.000) 0.555 22.898 ( 0.000 1.204 0.000) 1.204 23.054 ( 0.000 -3.299 0.000) 3.299 24.227 ( 0.000 -6.489 0.000) 6.489 24.258 ( 0.000 -6.162 0.000) 6.162 26.347 ( 0.000 22.166 0.000) 22.166 27.055 ( 0.000 -1.189 0.000) 1.189 28.640 ( 0.000 -2.697 0.000) 2.697 28.672 ( 0.000 -2.988 0.000) 2.988 ======================= Grid point 28 (17/185) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 16.137 18.604 4.573) 25.048 1.573 ( 14.098 19.466 1.906) 24.110 2.061 ( -0.496 -2.595 1.640) 3.110 2.583 ( 8.052 23.057 -0.149) 24.423 2.673 ( 4.596 -4.681 1.293) 6.686 2.734 ( 5.815 1.782 -1.378) 6.237 3.062 ( 1.198 -2.676 0.188) 2.937 3.352 ( 3.748 7.381 3.126) 8.849 3.586 ( -2.909 4.122 -0.285) 5.053 3.684 ( -1.109 7.424 3.694) 8.366 3.797 ( 0.880 -6.362 0.889) 6.484 4.068 ( 2.129 2.333 -2.438) 3.990 4.381 ( -1.339 -3.947 0.230) 4.174 4.482 ( -12.152 -2.810 -5.989) 13.836 5.246 ( 0.634 7.200 1.571) 7.396 5.571 ( -1.277 -4.292 0.369) 4.493 5.740 ( -3.245 0.664 1.285) 3.553 5.909 ( 3.551 -3.713 1.722) 5.418 6.240 ( 1.681 -2.758 -1.232) 3.457 6.405 ( -1.208 -5.935 -0.371) 6.068 7.255 ( 0.691 23.258 0.640) 23.277 7.466 ( -0.654 4.470 -1.409) 4.732 7.747 ( -1.949 -2.907 1.052) 3.655 7.828 ( -1.340 8.240 -0.106) 8.349 8.444 ( 0.046 1.746 -0.995) 2.010 8.606 ( -0.779 -1.918 0.231) 2.083 10.413 ( -1.995 1.415 -0.209) 2.455 10.495 ( 3.706 -3.506 2.573) 5.713 10.881 ( -1.770 6.526 1.306) 6.887 11.231 ( 1.234 -3.331 0.278) 3.563 11.587 ( 3.297 2.595 2.366) 4.817 12.071 ( -1.634 -7.185 -1.837) 7.594 12.326 ( -0.586 8.269 0.436) 8.301 12.338 ( 0.292 -1.104 -1.364) 1.779 12.814 ( -2.506 -6.438 -4.278) 8.126 13.022 ( -1.942 -12.571 -1.045) 12.763 13.751 ( -0.302 1.957 0.538) 2.052 13.876 ( 0.769 -1.060 0.550) 1.420 14.179 ( -6.131 3.839 -0.962) 7.297 14.327 ( -0.208 -2.095 1.786) 2.761 22.911 ( 1.586 0.988 -0.924) 2.085 23.055 ( 0.387 -3.065 -1.120) 3.286 24.231 ( 3.149 -3.877 1.386) 5.184 24.391 ( 9.448 -8.903 4.587) 13.768 26.305 ( -3.989 22.326 -0.848) 22.696 26.996 ( -5.716 0.281 -1.963) 6.050 28.602 ( -2.104 -1.607 0.062) 2.649 28.712 ( 2.409 -4.644 -0.269) 5.238 ======================= Grid point 29 (18/185) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 10.103 12.291 3.807) 16.360 1.980 ( 18.035 11.571 3.163) 21.660 2.076 ( 3.707 1.284 3.418) 5.203 2.725 ( 3.340 7.944 -3.316) 9.234 2.749 ( 8.929 0.037 1.220) 9.012 2.992 ( 19.268 13.502 3.183) 23.742 3.086 ( 1.306 -0.916 -0.211) 1.609 3.397 ( -1.399 15.729 1.348) 15.848 3.551 ( -0.062 1.703 1.137) 2.048 3.655 ( -3.819 4.442 3.513) 6.831 3.881 ( 6.102 -4.701 4.359) 8.851 4.089 ( 2.056 -0.386 -3.836) 4.369 4.236 ( -8.326 2.447 -2.253) 8.966 4.392 ( 2.039 -4.484 -2.861) 5.697 5.276 ( 1.123 5.469 2.649) 6.180 5.523 ( -3.651 -4.532 -0.912) 5.891 5.666 ( -5.923 1.755 2.321) 6.599 5.949 ( -0.471 -5.847 1.098) 5.968 6.253 ( 1.019 -3.395 -4.118) 5.434 6.371 ( -2.717 -5.310 1.296) 6.104 7.277 ( 1.138 22.870 1.043) 22.922 7.445 ( -0.537 4.869 -1.933) 5.266 7.701 ( -3.790 -1.984 1.534) 4.544 7.792 ( -2.498 9.397 -0.188) 9.725 8.440 ( 0.308 1.501 -1.618) 2.228 8.588 ( -1.368 -2.187 0.450) 2.619 10.356 ( -3.668 7.009 -1.484) 8.048 10.585 ( 3.402 -3.323 3.353) 5.819 10.855 ( -1.270 5.551 2.536) 6.234 11.254 ( 0.556 -3.847 0.768) 3.962 11.700 ( 6.893 1.581 3.973) 8.111 12.019 ( -2.453 -6.727 -2.498) 7.583 12.300 ( -2.147 -0.447 1.479) 2.645 12.353 ( 2.001 4.442 -2.581) 5.513 12.727 ( -3.790 -9.288 -5.735) 11.555 12.959 ( -3.777 -10.317 -2.750) 11.326 13.748 ( -0.303 1.864 0.606) 1.984 13.889 ( 0.097 -0.918 0.527) 1.063 14.054 ( -6.730 3.779 -0.848) 7.765 14.315 ( -1.877 -6.138 1.971) 6.714 22.940 ( 1.887 0.599 -0.466) 2.033 23.055 ( 0.587 -2.571 -2.036) 3.332 24.352 ( 7.981 -2.299 3.597) 9.051 24.609 ( 11.062 -9.926 4.872) 15.641 26.217 ( -4.411 21.931 -1.253) 22.405 26.841 ( -9.594 3.161 -2.742) 10.466 28.580 ( -0.452 -1.313 0.325) 1.426 28.739 ( 0.769 -5.969 -0.642) 6.053 ======================= Grid point 30 (19/185) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 8.854 6.267 2.375) 11.105 2.062 ( 0.015 -0.313 2.960) 2.976 2.355 ( 14.319 11.838 2.941) 18.810 2.777 ( 4.010 8.398 -1.198) 9.383 2.899 ( 6.115 -2.512 1.079) 6.698 3.066 ( -3.320 3.508 0.302) 4.839 3.303 ( 4.036 11.718 -0.530) 12.405 3.361 ( 3.236 15.596 -1.594) 16.008 3.554 ( -3.333 0.694 1.936) 3.917 3.716 ( 12.533 7.307 5.279) 15.438 3.962 ( 1.332 -0.630 1.871) 2.382 4.095 ( 0.308 2.112 -3.153) 3.808 4.214 ( 5.571 -2.007 -0.192) 5.924 4.456 ( 5.676 -4.344 0.421) 7.160 5.306 ( 0.302 4.059 2.480) 4.766 5.433 ( -5.396 -0.201 -1.327) 5.560 5.564 ( -5.860 -0.394 1.906) 6.175 5.897 ( -5.270 -7.044 -0.324) 8.804 6.240 ( 1.343 -2.430 -6.771) 7.318 6.330 ( -3.363 -4.088 4.212) 6.765 7.303 ( 1.024 21.836 1.022) 21.884 7.433 ( 0.436 4.982 -1.580) 5.245 7.630 ( -4.657 -0.816 1.246) 4.889 7.742 ( -2.576 11.515 -0.218) 11.802 8.439 ( 0.518 1.191 -1.604) 2.064 8.565 ( -1.438 -2.459 0.601) 2.912 10.275 ( -3.817 12.305 -1.913) 13.025 10.624 ( -0.481 0.482 1.628) 1.764 10.898 ( 4.008 -1.583 4.464) 6.205 11.243 ( -2.319 -5.056 -0.313) 5.571 11.844 ( 5.401 3.492 2.070) 6.756 11.983 ( 0.469 -5.702 0.263) 5.728 12.275 ( -1.618 -3.498 2.360) 4.519 12.368 ( 0.942 4.104 -3.430) 5.431 12.634 ( -2.857 -12.477 -3.885) 13.376 12.864 ( -4.428 -8.040 -3.885) 9.967 13.750 ( 0.299 1.916 0.330) 1.967 13.878 ( -1.948 0.443 0.491) 2.057 13.941 ( -4.518 2.187 -0.973) 5.113 14.292 ( -1.432 -9.951 1.574) 10.176 22.970 ( 1.318 0.201 0.689) 1.501 23.053 ( 0.509 -2.076 -2.437) 3.241 24.525 ( 8.050 -1.349 3.567) 8.907 24.818 ( 8.900 -9.283 3.502) 13.329 26.154 ( -1.377 19.844 -0.790) 19.907 26.636 ( -10.803 6.475 -2.630) 12.866 28.587 ( 0.788 -1.714 0.405) 1.929 28.735 ( -0.614 -6.420 -0.677) 6.485 ======================= Grid point 31 (20/185) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 4.210 1.644 0.030) 4.520 2.070 ( -0.709 0.742 2.043) 2.286 2.563 ( 6.705 7.792 1.064) 10.334 2.855 ( 4.408 9.312 0.186) 10.304 2.961 ( -2.354 2.991 0.494) 3.838 2.985 ( -1.600 7.000 0.033) 7.180 3.258 ( -2.496 15.029 -1.085) 15.273 3.424 ( 1.642 3.556 -0.793) 3.997 3.520 ( -0.909 2.218 0.970) 2.586 3.871 ( 0.787 2.331 0.718) 2.563 4.036 ( 1.543 0.300 -0.113) 1.576 4.186 ( 10.771 8.893 0.949) 14.000 4.299 ( 3.534 -6.173 0.117) 7.114 4.540 ( 0.756 0.040 0.843) 1.133 5.294 ( -2.121 1.503 0.523) 2.652 5.357 ( -1.467 7.625 0.129) 7.766 5.497 ( -2.045 -4.585 0.504) 5.046 5.791 ( -4.263 -7.404 -0.812) 8.582 6.240 ( 1.679 -2.470 -4.262) 5.205 6.296 ( -2.308 -2.904 3.386) 5.023 7.321 ( 0.464 21.331 0.425) 21.340 7.443 ( 0.982 4.050 -0.613) 4.212 7.561 ( -2.788 0.544 0.448) 2.875 7.706 ( -1.132 13.218 -0.073) 13.266 8.440 ( 0.287 1.001 -0.721) 1.267 8.547 ( -0.660 -2.637 0.335) 2.738 10.215 ( -1.628 14.912 -0.854) 15.025 10.613 ( -0.702 1.713 0.467) 1.909 11.018 ( 5.679 -5.614 4.040) 8.950 11.166 ( -4.815 -6.371 -2.377) 8.332 11.885 ( 0.339 3.513 -0.478) 3.562 12.045 ( 2.974 -1.608 1.944) 3.900 12.279 ( 0.493 -4.023 4.356) 5.950 12.335 ( -1.823 0.672 -5.380) 5.720 12.599 ( -0.053 -14.054 -0.290) 14.057 12.777 ( -2.504 -5.893 -2.460) 6.859 13.769 ( 1.800 2.133 0.166) 2.795 13.819 ( -3.609 2.111 -0.083) 4.182 13.897 ( -0.721 0.147 -0.239) 0.773 14.281 ( -0.447 -12.164 0.587) 12.186 22.992 ( 0.470 -0.161 0.778) 0.923 23.049 ( 0.190 -1.693 -1.379) 2.192 24.649 ( 3.347 -0.749 1.475) 3.733 24.948 ( 3.490 -8.411 1.269) 9.194 26.161 ( 1.623 16.150 0.088) 16.232 26.454 ( -6.522 10.391 -1.448) 12.354 28.604 ( 0.668 -2.212 0.196) 2.319 28.718 ( -0.623 -6.412 -0.303) 6.449 ======================= Grid point 36 (21/185) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.000 22.020 0.000) 22.020 1.819 ( 0.000 16.928 0.000) 16.928 1.971 ( 0.000 -7.165 0.000) 7.165 2.225 ( 0.000 -22.342 0.000) 22.342 2.821 ( 0.000 7.068 0.000) 7.068 2.947 ( 0.000 -2.063 0.000) 2.063 3.023 ( 0.000 17.479 0.000) 17.479 3.298 ( 0.000 -6.376 0.000) 6.376 3.573 ( 0.000 -2.409 0.000) 2.409 3.603 ( 0.000 -6.982 0.000) 6.982 4.031 ( 0.000 18.586 0.000) 18.586 4.174 ( 0.000 6.944 0.000) 6.944 4.302 ( 0.000 -5.551 0.000) 5.551 4.379 ( 0.000 -16.556 0.000) 16.556 5.399 ( 0.000 7.079 0.000) 7.079 5.506 ( 0.000 -4.349 0.000) 4.349 5.784 ( 0.000 1.604 0.000) 1.604 5.821 ( 0.000 -2.021 0.000) 2.021 6.227 ( 0.000 2.209 0.000) 2.209 6.304 ( 0.000 -5.453 0.000) 5.453 7.570 ( 0.000 5.322 0.000) 5.322 7.665 ( 0.000 16.969 0.000) 16.969 7.675 ( 0.000 -3.832 0.000) 3.832 7.889 ( 0.000 -4.174 0.000) 4.174 8.500 ( 0.000 3.395 0.000) 3.395 8.565 ( 0.000 -3.163 0.000) 3.163 10.413 ( 0.000 -0.653 0.000) 0.653 10.414 ( 0.000 -0.920 0.000) 0.920 11.008 ( 0.000 6.358 0.000) 6.358 11.127 ( 0.000 -5.849 0.000) 5.849 11.671 ( 0.000 8.490 0.000) 8.490 11.873 ( 0.000 -12.286 0.000) 12.286 12.433 ( 0.000 4.661 0.000) 4.661 12.443 ( 0.000 3.955 0.000) 3.955 12.768 ( 0.000 -2.498 0.000) 2.498 12.819 ( 0.000 -8.309 0.000) 8.309 13.799 ( 0.000 2.574 0.000) 2.574 13.842 ( 0.000 -1.762 0.000) 1.762 14.295 ( 0.000 1.233 0.000) 1.233 14.309 ( 0.000 -0.269 0.000) 0.269 22.934 ( 0.000 2.486 0.000) 2.486 22.990 ( 0.000 -3.289 0.000) 3.289 24.151 ( 0.000 -1.498 0.000) 1.498 24.167 ( 0.000 -3.065 0.000) 3.065 26.723 ( 0.000 16.613 0.000) 16.613 26.966 ( 0.000 -8.580 0.000) 8.580 28.607 ( 0.000 -0.518 0.000) 0.518 28.622 ( 0.000 -1.931 0.000) 1.931 ======================= Grid point 37 (22/185) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 4.685 13.159 1.203) 14.020 1.942 ( 12.557 17.168 2.294) 21.394 1.986 ( 3.050 -3.004 1.465) 4.524 2.335 ( 10.598 -19.403 1.644) 22.170 2.835 ( 1.803 7.267 -1.034) 7.558 2.968 ( 1.708 -5.513 0.655) 5.809 3.110 ( 9.172 20.753 2.485) 22.825 3.389 ( 8.137 -4.834 4.528) 10.492 3.556 ( -1.565 -2.776 1.761) 3.641 3.608 ( 0.536 -7.419 -1.757) 7.643 3.997 ( -3.350 17.298 -0.278) 17.622 4.162 ( -0.931 5.931 -1.205) 6.124 4.289 ( -1.508 -6.001 -1.476) 6.361 4.313 ( -4.873 -12.544 -2.552) 13.697 5.384 ( -1.104 6.375 -0.031) 6.470 5.487 ( -1.883 -4.612 -0.291) 4.990 5.776 ( -1.635 2.967 2.062) 3.966 5.842 ( 0.679 -3.537 2.471) 4.368 6.228 ( 0.558 1.625 -1.596) 2.345 6.296 ( -0.541 -5.089 -0.957) 5.207 7.557 ( -1.484 5.668 0.707) 5.902 7.662 ( -1.470 -3.548 1.250) 4.039 7.673 ( 0.982 15.894 -1.684) 16.013 7.884 ( -0.327 -3.692 -0.878) 3.809 8.495 ( -0.323 3.263 -0.600) 3.334 8.558 ( -0.739 -3.098 -0.012) 3.185 10.426 ( 0.654 0.439 2.047) 2.193 10.444 ( 2.198 -1.718 3.007) 4.102 11.013 ( -0.455 7.043 2.260) 7.411 11.140 ( 0.513 -5.958 2.146) 6.353 11.686 ( 2.004 7.463 -0.198) 7.729 11.869 ( 0.131 -11.322 -1.570) 11.431 12.383 ( -3.331 5.140 -2.211) 6.512 12.452 ( 0.056 1.104 -1.275) 1.688 12.719 ( -3.584 -0.564 -2.962) 4.684 12.817 ( -0.479 -8.656 -1.458) 8.791 13.798 ( -0.138 2.726 0.215) 2.738 13.846 ( 0.338 -2.103 0.274) 2.148 14.240 ( -5.063 2.708 -0.319) 5.750 14.287 ( -3.176 -2.205 0.745) 3.937 22.943 ( 1.151 2.299 -0.667) 2.657 22.995 ( 0.783 -3.049 -0.869) 3.266 24.198 ( 5.193 0.583 2.497) 5.792 24.254 ( 7.363 -5.184 3.552) 9.680 26.683 ( -3.842 16.626 -1.190) 17.106 26.923 ( -4.145 -8.191 -1.627) 9.323 28.593 ( -0.859 0.787 -0.173) 1.178 28.633 ( 0.735 -3.314 -0.347) 3.412 ======================= Grid point 38 (23/185) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 5.008 7.969 1.675) 9.560 2.006 ( 1.653 -3.665 1.199) 4.195 2.288 ( 17.499 15.091 3.828) 23.422 2.568 ( 12.380 -13.486 2.384) 18.461 2.875 ( 3.252 7.767 -1.085) 8.490 3.010 ( 2.495 -5.815 0.488) 6.346 3.354 ( 13.520 17.957 1.060) 22.502 3.523 ( 1.008 2.952 2.523) 4.012 3.594 ( 1.378 -2.282 3.295) 4.238 3.647 ( 9.747 -9.635 3.122) 14.057 3.933 ( -2.328 13.430 0.746) 13.650 4.122 ( -2.430 0.171 -1.670) 2.954 4.198 ( -2.702 -2.863 -3.875) 5.524 4.280 ( 0.487 -6.797 -1.692) 7.021 5.370 ( -0.657 4.152 0.556) 4.240 5.443 ( -2.486 -3.823 -0.390) 4.577 5.734 ( -4.602 5.083 2.450) 7.281 5.841 ( -2.637 -5.695 2.284) 6.679 6.227 ( 0.635 0.778 -3.087) 3.246 6.277 ( -0.999 -4.125 -0.498) 4.274 7.530 ( -1.680 5.624 0.553) 5.895 7.631 ( -2.654 -4.577 1.321) 5.453 7.683 ( 0.989 16.023 -1.549) 16.128 7.869 ( -0.690 -2.510 -1.022) 2.796 8.483 ( -0.444 2.823 -0.914) 3.000 8.540 ( -1.271 -2.880 0.139) 3.152 10.450 ( 0.420 3.502 2.543) 4.348 10.513 ( 2.869 -3.507 4.199) 6.178 11.001 ( -2.425 8.561 2.430) 9.224 11.153 ( -0.937 -6.804 2.431) 7.286 11.755 ( 5.435 4.215 1.497) 7.039 11.871 ( 1.329 -7.756 -1.695) 8.049 12.301 ( -4.057 4.473 -2.296) 6.461 12.429 ( -1.472 -5.286 -2.386) 5.983 12.627 ( -4.056 4.506 -3.978) 7.251 12.779 ( -2.133 -8.894 -3.444) 9.773 13.797 ( -0.014 3.063 0.128) 3.066 13.855 ( 0.399 -2.617 0.163) 2.653 14.127 ( -6.891 3.990 -0.166) 7.964 14.210 ( -5.278 -4.842 0.926) 7.222 22.964 ( 1.454 1.823 -0.727) 2.442 23.006 ( 1.008 -2.492 -1.388) 3.025 24.353 ( 9.199 2.479 4.280) 10.445 24.445 ( 10.441 -6.938 4.740) 13.402 26.586 ( -5.379 16.048 -1.901) 17.032 26.808 ( -6.886 -6.761 -2.540) 9.979 28.581 ( -0.358 1.537 -0.146) 1.585 28.638 ( 0.045 -4.335 -0.532) 4.368 ======================= Grid point 39 (24/185) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 4.268 3.821 1.150) 5.843 2.044 ( 1.636 -1.767 1.323) 2.748 2.569 ( 11.029 11.016 2.645) 15.811 2.769 ( 7.828 -9.383 1.844) 12.358 2.939 ( 4.086 7.814 -0.268) 8.822 3.055 ( 1.797 -3.811 0.436) 4.236 3.454 ( 0.723 5.237 -1.264) 5.436 3.512 ( -2.538 -0.322 -0.000) 2.558 3.696 ( 1.019 9.829 2.506) 10.194 3.819 ( 5.939 -1.268 3.785) 7.156 3.988 ( 7.304 7.163 1.131) 10.292 4.127 ( 4.791 -4.262 -2.900) 7.038 4.180 ( 3.231 4.877 -0.974) 5.930 4.334 ( 6.961 -8.401 1.904) 11.075 5.359 ( -1.231 2.165 0.632) 2.569 5.403 ( -1.379 -2.406 -0.197) 2.780 5.636 ( -7.113 6.391 1.491) 9.678 5.766 ( -6.249 -6.867 0.652) 9.308 6.220 ( 0.667 0.526 -3.519) 3.620 6.257 ( -1.187 -3.158 0.641) 3.435 7.507 ( -0.917 4.629 0.177) 4.722 7.584 ( -3.058 -3.037 1.033) 4.432 7.691 ( 0.654 14.648 -1.034) 14.700 7.851 ( -0.753 -1.168 -0.604) 1.515 8.471 ( -0.306 2.138 -0.855) 2.323 8.517 ( -1.297 -2.523 0.349) 2.858 10.466 ( 0.094 7.683 1.726) 7.875 10.580 ( 1.982 -4.481 3.328) 5.923 10.963 ( -2.343 7.264 1.787) 7.839 11.119 ( -3.680 -7.901 0.396) 8.725 11.887 ( 6.743 0.641 2.918) 7.375 11.905 ( 3.090 -2.228 0.266) 3.818 12.222 ( -3.306 2.882 -1.401) 4.604 12.378 ( -2.795 -11.554 -1.861) 12.032 12.543 ( -2.670 8.946 -3.874) 10.108 12.711 ( -2.803 -8.310 -4.170) 9.711 13.802 ( 0.593 3.308 -0.147) 3.364 13.861 ( 0.207 -2.353 -0.067) 2.363 14.004 ( -6.170 4.693 -0.107) 7.752 14.122 ( -4.590 -7.635 0.898) 8.954 22.985 ( 1.063 1.229 -0.278) 1.649 23.015 ( 0.757 -1.873 -1.384) 2.449 24.546 ( 8.716 3.471 3.916) 10.166 24.653 ( 9.158 -7.483 3.913) 12.457 26.487 ( -4.082 14.029 -1.678) 14.707 26.663 ( -7.063 -3.990 -2.418) 8.465 28.578 ( 0.109 1.090 -0.055) 1.097 28.631 ( -0.507 -4.286 -0.460) 4.340 ======================= Grid point 40 (25/185) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 1.693 1.343 0.272) 2.178 2.072 ( 0.671 -0.669 0.664) 1.157 2.712 ( 3.745 8.045 0.798) 8.910 2.864 ( 2.196 -7.511 0.554) 7.845 3.009 ( 2.990 6.145 0.240) 6.838 3.070 ( -0.345 0.270 0.122) 0.454 3.447 ( -0.552 3.425 -0.352) 3.487 3.474 ( -1.041 0.653 0.188) 1.243 3.691 ( -0.724 12.350 0.802) 12.397 3.851 ( -0.683 -4.301 0.934) 4.454 4.071 ( 1.499 3.248 -1.582) 3.911 4.166 ( 1.155 -6.371 -1.905) 6.749 4.363 ( 10.268 8.498 2.281) 13.522 4.496 ( 5.492 -4.817 1.963) 7.564 5.334 ( -1.196 2.657 0.196) 2.920 5.392 ( -0.270 -3.183 0.114) 3.196 5.526 ( -4.118 6.619 0.324) 7.802 5.655 ( -4.505 -6.861 -0.311) 8.213 6.216 ( 0.498 0.159 -1.779) 1.855 6.243 ( -0.723 -2.386 0.695) 2.589 7.502 ( 0.294 2.839 -0.108) 2.856 7.540 ( -1.963 -0.764 0.507) 2.166 7.696 ( 0.251 13.693 -0.367) 13.700 7.838 ( -0.334 -0.247 -0.162) 0.446 8.464 ( -0.079 1.565 -0.387) 1.614 8.500 ( -0.587 -2.197 0.233) 2.286 10.473 ( 0.040 11.217 0.538) 11.230 10.613 ( 0.358 -3.004 1.135) 3.231 10.961 ( 1.249 0.588 1.894) 2.343 11.039 ( -4.005 -6.387 -1.399) 7.668 11.946 ( 1.527 3.326 0.222) 3.666 12.020 ( 4.155 -3.181 2.473) 5.788 12.173 ( -1.353 1.224 -0.420) 1.873 12.317 ( -2.326 -11.233 -1.127) 11.526 12.497 ( -0.664 7.716 -1.519) 7.892 12.650 ( -1.507 -7.467 -2.198) 7.928 13.819 ( 1.312 2.798 -0.243) 3.100 13.860 ( -0.374 -0.529 0.070) 0.652 13.916 ( -3.001 4.783 -0.096) 5.647 14.066 ( -1.794 -9.993 0.407) 10.161 22.998 ( 0.382 0.745 0.054) 0.839 23.019 ( 0.271 -1.399 -0.668) 1.574 24.679 ( 3.601 3.862 1.586) 5.514 24.790 ( 3.702 -7.471 1.520) 8.476 26.433 ( -1.113 11.107 -0.589) 11.179 26.551 ( -3.488 -0.670 -1.105) 3.720 28.582 ( 0.198 0.221 -0.003) 0.297 28.619 ( -0.386 -3.710 -0.186) 3.734 ======================= Grid point 81 (26/185) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -4.195 0.000 25.720) 26.059 0.516 ( -5.709 0.000 27.235) 27.827 0.876 ( -0.847 0.000 45.379) 45.386 2.098 ( 4.621 0.000 -0.731) 4.678 2.574 ( -1.087 0.000 2.153) 2.412 2.665 ( -2.816 0.000 -0.999) 2.988 3.042 ( -1.193 0.000 -9.210) 9.287 3.156 ( -1.560 0.000 6.936) 7.109 3.195 ( 0.858 0.000 2.311) 2.465 3.360 ( 4.616 0.000 -1.682) 4.913 3.656 ( 7.294 0.000 6.778) 9.957 3.954 ( -0.321 0.000 -2.398) 2.419 4.147 ( 0.176 0.000 2.572) 2.578 5.210 ( -1.249 0.000 -4.406) 4.579 5.407 ( -31.119 0.000 3.130) 31.276 5.640 ( 7.617 0.000 -6.681) 10.132 5.843 ( -1.154 0.000 0.448) 1.238 5.927 ( -1.308 0.000 -4.640) 4.820 5.953 ( 32.365 0.000 -1.340) 32.393 6.424 ( 3.800 0.000 -4.018) 5.530 6.765 ( -0.357 0.000 10.766) 10.772 7.373 ( 0.150 0.000 -2.082) 2.088 7.403 ( -4.944 0.000 -1.653) 5.213 7.786 ( 1.333 0.000 5.174) 5.343 8.568 ( -1.598 0.000 6.796) 6.982 9.238 ( -24.342 0.000 1.980) 24.422 9.753 ( -3.744 0.000 -0.843) 3.838 10.547 ( -5.159 0.000 -2.687) 5.817 10.750 ( 6.736 0.000 6.650) 9.466 11.273 ( -22.083 0.000 0.229) 22.084 11.727 ( 0.406 0.000 -3.949) 3.969 11.837 ( 2.217 0.000 -1.103) 2.476 12.634 ( 20.915 0.000 -4.864) 21.473 12.725 ( 2.962 0.000 -0.092) 2.963 12.955 ( -0.467 0.000 -6.126) 6.143 13.570 ( -0.716 0.000 -1.819) 1.955 13.647 ( 0.077 0.000 1.626) 1.628 13.851 ( 1.303 0.000 6.518) 6.647 13.997 ( -0.275 0.000 -1.119) 1.153 14.245 ( 19.701 0.000 0.468) 19.706 23.221 ( 0.007 0.000 5.730) 5.730 24.080 ( -94.066 0.000 -0.667) 94.068 24.516 ( 1.997 0.000 -2.551) 3.240 25.001 ( -0.168 0.000 -0.827) 0.844 25.102 ( 0.134 0.000 0.402) 0.424 25.948 ( 58.009 0.000 -1.464) 58.028 28.766 ( -1.919 0.000 0.140) 1.924 28.797 ( 9.099 0.000 0.014) 9.099 ======================= Grid point 82 (27/185) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 4.308 0.000 18.963) 19.446 0.837 ( 19.532 0.000 20.875) 28.588 1.443 ( 33.011 0.000 30.709) 45.087 2.179 ( 3.590 0.000 2.970) 4.660 2.544 ( -4.683 0.000 -0.461) 4.705 2.587 ( -2.879 0.000 0.101) 2.881 2.995 ( 1.637 0.000 -9.258) 9.401 3.174 ( -0.626 0.000 5.154) 5.192 3.260 ( 4.389 0.000 2.329) 4.969 3.407 ( 1.602 0.000 0.893) 1.834 3.813 ( 5.762 0.000 1.828) 6.045 3.916 ( -2.140 0.000 -3.204) 3.853 4.203 ( 5.060 0.000 2.418) 5.608 4.788 ( -24.612 0.000 17.074) 29.955 5.307 ( 0.540 0.000 1.794) 1.873 5.664 ( 2.119 0.000 -5.653) 6.037 5.798 ( -4.185 0.000 0.396) 4.204 5.901 ( 1.552 0.000 -6.222) 6.412 6.378 ( 12.791 0.000 -22.271) 25.683 6.476 ( 3.319 0.000 -1.110) 3.500 6.786 ( -3.885 0.000 10.759) 11.439 7.307 ( -5.838 0.000 -2.279) 6.267 7.323 ( -2.658 0.000 0.149) 2.662 7.808 ( -3.075 0.000 6.457) 7.152 8.527 ( -5.667 0.000 5.344) 7.789 8.882 ( -13.634 0.000 14.941) 20.227 9.680 ( -2.948 0.000 -2.371) 3.783 10.472 ( -1.614 0.000 -1.036) 1.917 10.938 ( 9.154 0.000 6.377) 11.156 11.170 ( 1.965 0.000 1.966) 2.780 11.704 ( -0.358 0.000 -4.722) 4.736 11.889 ( 3.603 0.000 0.132) 3.605 12.572 ( -7.587 0.000 -2.913) 8.127 12.771 ( 0.738 0.000 -8.120) 8.153 12.922 ( -1.530 0.000 -0.774) 1.715 13.480 ( -6.251 0.000 -2.835) 6.864 13.663 ( 0.595 0.000 2.032) 2.117 13.883 ( -0.935 0.000 6.261) 6.331 13.972 ( -1.674 0.000 -1.553) 2.283 14.588 ( 12.812 0.000 -8.031) 15.121 23.135 ( -23.920 0.000 21.405) 32.099 23.245 ( -2.734 0.000 8.168) 8.614 24.600 ( 8.532 0.000 -2.130) 8.794 24.994 ( -0.089 0.000 -0.917) 0.922 25.104 ( -0.162 0.000 0.425) 0.455 26.362 ( 6.380 0.000 -10.892) 12.623 28.731 ( -1.922 0.000 -0.109) 1.925 28.972 ( 7.299 0.000 -4.044) 8.345 ======================= Grid point 83 (28/185) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 6.084 0.000 10.377) 12.029 1.301 ( 19.471 0.000 16.840) 25.742 2.250 ( 39.267 0.000 17.528) 43.001 2.261 ( 2.850 0.000 5.742) 6.411 2.415 ( -7.045 0.000 -2.457) 7.461 2.567 ( -1.070 0.000 1.752) 2.053 2.965 ( -3.698 0.000 -2.506) 4.467 3.189 ( 2.652 0.000 -2.325) 3.527 3.365 ( 5.732 0.000 1.657) 5.966 3.464 ( 3.903 0.000 3.814) 5.457 3.844 ( -3.622 0.000 -3.733) 5.201 3.927 ( 6.728 0.000 3.625) 7.642 4.318 ( 3.885 0.000 2.811) 4.795 4.555 ( -10.396 0.000 9.862) 14.330 5.299 ( -2.759 0.000 0.827) 2.880 5.629 ( -4.775 0.000 -5.926) 7.611 5.729 ( -1.078 0.000 -0.694) 1.282 5.911 ( 3.601 0.000 -7.762) 8.557 6.310 ( -5.100 0.000 -16.195) 16.979 6.529 ( 2.285 0.000 1.514) 2.741 6.737 ( -7.297 0.000 9.091) 11.658 7.160 ( -8.315 0.000 -2.133) 8.584 7.298 ( -0.748 0.000 0.530) 0.917 7.750 ( -6.697 0.000 6.989) 9.679 8.457 ( -3.674 0.000 0.833) 3.767 8.810 ( -5.331 0.000 13.945) 14.930 9.632 ( -1.129 0.000 -1.200) 1.648 10.472 ( 1.493 0.000 0.216) 1.508 11.130 ( 8.364 0.000 4.954) 9.721 11.249 ( 4.722 0.000 1.816) 5.059 11.667 ( -0.707 0.000 -5.281) 5.329 11.962 ( 4.168 0.000 0.320) 4.181 12.419 ( -7.407 0.000 -1.818) 7.626 12.741 ( 1.754 0.000 -9.417) 9.579 12.894 ( -2.036 0.000 2.405) 3.151 13.330 ( -7.916 0.000 -3.734) 8.752 13.690 ( 1.123 0.000 2.238) 2.503 13.890 ( -1.704 0.000 5.333) 5.599 13.923 ( -2.711 0.000 -1.758) 3.231 14.694 ( 4.372 0.000 -3.987) 5.917 23.001 ( -4.556 0.000 8.419) 9.573 23.252 ( -2.291 0.000 10.421) 10.670 24.795 ( 14.179 0.000 -2.812) 14.455 24.989 ( 0.133 0.000 -0.765) 0.776 25.101 ( -0.449 0.000 0.318) 0.551 26.299 ( -6.368 0.000 -7.437) 9.791 28.705 ( -0.865 0.000 0.782) 1.166 29.029 ( 1.895 0.000 -2.905) 3.469 ======================= Grid point 84 (29/185) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 4.599 0.000 4.833) 6.671 1.710 ( 16.548 0.000 13.051) 21.075 2.262 ( -5.032 0.000 -7.518) 9.047 2.358 ( 0.782 0.000 11.400) 11.426 2.558 ( -0.863 0.000 1.573) 1.795 2.793 ( -11.600 0.000 3.644) 12.159 2.987 ( 29.094 0.000 6.418) 29.793 3.264 ( 7.616 0.000 -5.418) 9.346 3.482 ( 6.392 0.000 1.315) 6.525 3.588 ( 6.736 0.000 6.173) 9.137 3.748 ( -4.667 0.000 -3.866) 6.061 4.115 ( 11.313 0.000 3.236) 11.767 4.296 ( -7.928 0.000 7.824) 11.139 4.521 ( 1.483 0.000 -0.318) 1.516 5.204 ( -7.787 0.000 -0.495) 7.803 5.451 ( -9.812 0.000 -5.673) 11.334 5.730 ( 1.332 0.000 -4.182) 4.389 5.943 ( 4.857 0.000 -9.256) 10.453 6.119 ( -6.296 0.000 -9.522) 11.416 6.559 ( -1.748 0.000 4.550) 4.874 6.642 ( -6.425 0.000 5.365) 8.370 7.010 ( -6.317 0.000 -1.442) 6.479 7.294 ( -0.274 0.000 1.392) 1.419 7.658 ( -6.919 0.000 6.036) 9.182 8.403 ( -2.097 0.000 -1.078) 2.358 8.805 ( -3.804 0.000 13.919) 14.429 9.627 ( 0.482 0.000 1.334) 1.418 10.512 ( 2.144 0.000 1.173) 2.444 11.278 ( 5.240 0.000 2.604) 5.852 11.341 ( 3.609 0.000 2.805) 4.571 11.628 ( -0.180 0.000 -5.147) 5.150 12.037 ( 4.133 0.000 -0.940) 4.238 12.290 ( -6.026 0.000 -0.671) 6.063 12.743 ( 3.274 0.000 -7.284) 7.986 12.875 ( -1.314 0.000 2.696) 2.999 13.175 ( -6.443 0.000 -3.168) 7.180 13.727 ( 1.621 0.000 2.241) 2.765 13.860 ( -3.055 0.000 -1.707) 3.499 13.880 ( -2.115 0.000 4.101) 4.614 14.731 ( 2.094 0.000 -3.348) 3.949 22.980 ( -1.342 0.000 1.237) 1.825 23.279 ( -1.954 0.000 13.873) 14.010 24.990 ( 0.341 0.000 -0.493) 0.599 25.068 ( 17.609 0.000 -4.646) 18.212 25.093 ( -0.540 0.000 0.184) 0.571 26.078 ( -13.094 0.000 -7.102) 14.896 28.707 ( 0.227 0.000 1.142) 1.164 29.029 ( 0.039 0.000 -2.233) 2.233 ======================= Grid point 85 (30/185) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 1.865 0.000 2.975) 3.511 2.011 ( 7.779 0.000 9.493) 12.273 2.123 ( -4.977 0.000 -9.003) 10.287 2.433 ( 0.197 0.000 10.824) 10.826 2.556 ( -0.096 0.000 1.483) 1.487 2.564 ( -11.450 0.000 1.284) 11.522 3.283 ( 4.985 0.000 -3.246) 5.949 3.443 ( 8.071 0.000 3.436) 8.772 3.609 ( 6.707 0.000 1.144) 6.804 3.637 ( -5.219 0.000 -3.374) 6.214 3.758 ( 5.586 0.000 4.672) 7.282 4.166 ( -5.664 0.000 2.466) 6.177 4.324 ( 1.485 0.000 2.439) 2.855 4.543 ( 4.111 0.000 1.225) 4.289 5.049 ( -6.348 0.000 -1.797) 6.597 5.271 ( -4.780 0.000 -5.345) 7.171 5.719 ( 0.796 0.000 -6.404) 6.453 5.990 ( 6.282 0.000 -10.145) 11.932 6.025 ( 0.386 0.000 -4.708) 4.724 6.502 ( -6.931 0.000 8.325) 10.832 6.574 ( -3.350 0.000 -1.474) 3.660 6.945 ( -0.438 0.000 0.883) 0.986 7.300 ( -0.129 0.000 1.668) 1.673 7.580 ( -4.520 0.000 4.986) 6.730 8.374 ( -0.481 0.000 -0.776) 0.913 8.821 ( -2.806 0.000 14.423) 14.694 9.656 ( 0.967 0.000 3.881) 4.000 10.552 ( 1.075 0.000 2.063) 2.326 11.331 ( -0.153 0.000 -1.277) 1.286 11.401 ( 1.225 0.000 3.248) 3.471 11.617 ( 1.713 0.000 -3.387) 3.795 12.084 ( 1.369 0.000 -4.728) 4.922 12.205 ( -2.739 0.000 2.226) 3.529 12.757 ( 0.962 0.000 -3.879) 3.997 12.896 ( 2.759 0.000 1.469) 3.126 13.088 ( -1.587 0.000 -0.449) 1.649 13.761 ( -0.311 0.000 1.195) 1.235 13.810 ( -0.318 0.000 -0.566) 0.649 13.859 ( -2.236 0.000 2.784) 3.570 14.735 ( 0.505 0.000 -4.171) 4.201 22.960 ( -0.505 0.000 -1.665) 1.740 23.326 ( -2.051 0.000 16.424) 16.552 24.995 ( 0.381 0.000 -0.214) 0.437 25.085 ( -0.337 0.000 0.068) 0.344 25.345 ( 14.473 0.000 -8.852) 16.965 25.789 ( -12.416 0.000 -5.962) 13.773 28.713 ( -0.351 0.000 0.705) 0.788 29.021 ( 0.468 0.000 -1.534) 1.604 ======================= Grid point 86 (31/185) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -2.926 0.000 3.647) 4.676 1.951 ( -17.731 0.000 3.910) 18.157 1.997 ( -2.745 0.000 -10.251) 10.612 2.474 ( -0.705 0.000 7.255) 7.290 2.541 ( 7.254 0.000 2.125) 7.559 2.577 ( 0.809 0.000 3.539) 3.630 3.288 ( -4.950 0.000 0.371) 4.964 3.445 ( -10.539 0.000 1.649) 10.667 3.522 ( -5.423 0.000 -3.183) 6.288 3.722 ( -7.308 0.000 2.236) 7.643 3.735 ( 6.179 0.000 1.332) 6.320 4.082 ( -6.101 0.000 -2.898) 6.755 4.200 ( -9.085 0.000 0.501) 9.099 4.685 ( 4.041 0.000 6.012) 7.244 5.017 ( 4.065 0.000 -3.689) 5.489 5.281 ( 8.662 0.000 -3.944) 9.518 5.699 ( 0.845 0.000 -6.420) 6.475 6.062 ( 7.234 0.000 -9.786) 12.169 6.075 ( 7.599 0.000 -4.168) 8.667 6.421 ( -6.293 0.000 6.253) 8.871 6.511 ( -1.491 0.000 -2.277) 2.721 6.987 ( 3.546 0.000 2.173) 4.158 7.307 ( 0.218 0.000 1.510) 1.526 7.560 ( -0.565 0.000 4.588) 4.622 8.376 ( 0.798 0.000 0.203) 0.823 8.858 ( -1.948 0.000 15.184) 15.308 9.700 ( 0.946 0.000 6.018) 6.092 10.568 ( -0.760 0.000 2.663) 2.769 11.266 ( -4.844 0.000 -4.401) 6.545 11.427 ( -0.372 0.000 4.442) 4.458 11.646 ( 2.692 0.000 -1.966) 3.334 12.019 ( -3.885 0.000 -5.584) 6.803 12.227 ( 2.547 0.000 1.007) 2.738 12.743 ( -0.168 0.000 -2.714) 2.719 12.969 ( 3.337 0.000 2.082) 3.933 13.121 ( 4.783 0.000 1.819) 5.117 13.723 ( -2.538 0.000 -0.385) 2.567 13.831 ( -2.085 0.000 1.700) 2.690 13.849 ( 2.944 0.000 1.084) 3.137 14.704 ( -1.096 0.000 -5.472) 5.581 22.954 ( 1.016 0.000 -1.320) 1.666 23.379 ( -2.465 0.000 18.938) 19.098 25.001 ( 0.275 0.000 0.009) 0.275 25.082 ( 0.027 0.000 -0.041) 0.049 25.294 ( -12.337 0.000 -10.839) 16.422 25.768 ( 12.261 0.000 -7.773) 14.517 28.698 ( -1.422 0.000 0.048) 1.422 29.034 ( 1.602 0.000 -0.933) 1.854 ======================= Grid point 87 (32/185) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -10.213 0.000 5.527) 11.612 1.553 ( -25.722 0.000 1.250) 25.753 1.933 ( 1.815 0.000 -9.548) 9.719 2.502 ( 0.704 0.000 4.103) 4.163 2.612 ( 0.345 0.000 5.008) 5.020 2.647 ( -9.381 0.000 3.306) 9.947 2.952 ( -18.876 0.000 3.619) 19.220 3.309 ( -4.112 0.000 -0.318) 4.124 3.408 ( -5.455 0.000 -2.495) 5.998 3.646 ( -5.546 0.000 5.346) 7.703 3.841 ( 4.797 0.000 0.671) 4.844 3.854 ( -12.424 0.000 -7.402) 14.462 4.134 ( -0.677 0.000 1.063) 1.260 4.717 ( -2.731 0.000 6.701) 7.236 5.100 ( 5.964 0.000 -3.863) 7.106 5.470 ( 12.165 0.000 -3.289) 12.602 5.681 ( 0.787 0.000 -5.480) 5.536 6.118 ( 2.751 0.000 -6.775) 7.312 6.239 ( 12.781 0.000 -7.553) 14.846 6.358 ( -1.636 0.000 -0.743) 1.797 6.514 ( 1.965 0.000 1.922) 2.749 7.083 ( 5.730 0.000 1.442) 5.909 7.335 ( 2.027 0.000 1.978) 2.832 7.600 ( 1.995 0.000 4.429) 4.858 8.401 ( 1.442 0.000 1.368) 1.987 8.912 ( -1.356 0.000 16.506) 16.562 9.754 ( 0.992 0.000 7.313) 7.380 10.555 ( -2.121 0.000 2.861) 3.561 11.121 ( -7.903 0.000 -5.412) 9.578 11.450 ( -0.322 0.000 8.123) 8.129 11.684 ( 2.547 0.000 -1.941) 3.203 11.918 ( -3.596 0.000 -5.163) 6.292 12.269 ( 2.229 0.000 -3.858) 4.456 12.727 ( -0.054 0.000 -2.061) 2.062 13.025 ( 1.558 0.000 2.009) 2.542 13.260 ( 8.268 0.000 2.792) 8.727 13.681 ( -1.911 0.000 -0.046) 1.911 13.804 ( -1.703 0.000 1.188) 2.077 13.910 ( 3.026 0.000 0.735) 3.114 14.636 ( -2.542 0.000 -7.554) 7.971 22.991 ( 3.253 0.000 1.233) 3.479 23.454 ( -1.431 0.000 24.795) 24.836 24.987 ( -14.071 0.000 -8.031) 16.202 25.005 ( 0.183 0.000 0.094) 0.206 25.085 ( 0.273 0.000 -0.113) 0.295 25.939 ( 11.486 0.000 -15.624) 19.392 28.675 ( -0.646 0.000 -0.117) 0.657 29.057 ( 1.111 0.000 -1.214) 1.645 ======================= Grid point 88 (33/185) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -15.416 0.000 10.039) 18.396 1.074 ( -27.645 0.000 3.741) 27.897 1.953 ( 4.979 0.000 -7.158) 8.720 2.027 ( -47.584 0.000 10.422) 48.712 2.544 ( 1.692 0.000 2.307) 2.861 2.643 ( 0.324 0.000 4.837) 4.848 3.004 ( 8.518 0.000 3.453) 9.191 3.234 ( -4.406 0.000 0.880) 4.493 3.300 ( -5.210 0.000 -1.356) 5.383 3.476 ( -12.373 0.000 -4.728) 13.245 3.687 ( -4.446 0.000 0.741) 4.508 3.914 ( 3.191 0.000 -0.331) 3.209 4.137 ( -0.034 0.000 0.688) 0.689 4.722 ( 0.118 0.000 10.341) 10.342 5.175 ( 4.065 0.000 -1.505) 4.334 5.634 ( 5.505 0.000 -3.640) 6.600 5.683 ( 4.248 0.000 -3.690) 5.627 6.079 ( -3.366 0.000 -2.829) 4.397 6.355 ( 3.038 0.000 -6.781) 7.430 6.390 ( 8.632 0.000 -16.346) 18.485 6.593 ( 3.776 0.000 6.069) 7.148 7.206 ( 7.228 0.000 -0.074) 7.228 7.398 ( 3.137 0.000 2.497) 4.009 7.671 ( 3.031 0.000 3.989) 5.010 8.446 ( 2.150 0.000 3.637) 4.226 9.000 ( 1.120 0.000 19.986) 20.017 9.805 ( 0.002 0.000 6.519) 6.519 10.538 ( -0.898 0.000 3.272) 3.393 10.933 ( -9.507 0.000 -4.989) 10.737 11.528 ( 3.036 0.000 15.990) 16.276 11.715 ( 2.067 0.000 -2.430) 3.190 11.843 ( -1.707 0.000 -4.530) 4.841 12.232 ( -2.587 0.000 -13.500) 13.746 12.721 ( 0.104 0.000 -0.056) 0.119 13.042 ( -0.167 0.000 -0.867) 0.883 13.422 ( 7.138 0.000 3.260) 7.847 13.654 ( -1.172 0.000 0.491) 1.270 13.786 ( -0.926 0.000 1.745) 1.976 13.962 ( 2.364 0.000 0.131) 2.368 14.524 ( -4.594 0.000 -11.700) 12.569 23.079 ( 4.530 0.000 3.558) 5.761 23.654 ( 7.116 0.000 41.170) 41.781 24.727 ( -10.350 0.000 -5.124) 11.549 25.008 ( 0.094 0.000 -0.076) 0.121 25.090 ( 0.337 0.000 -0.037) 0.339 25.972 ( 3.399 0.000 -27.189) 27.400 28.683 ( 1.537 0.000 -0.060) 1.538 29.043 ( -1.787 0.000 -3.480) 3.912 ======================= Grid point 89 (34/185) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -14.258 0.000 19.592) 24.231 0.656 ( -22.026 0.000 17.654) 28.228 1.224 ( -47.631 0.000 23.536) 53.129 2.020 ( 5.415 0.000 -4.158) 6.827 2.573 ( 0.129 0.000 1.967) 1.971 2.676 ( 0.695 0.000 2.296) 2.399 3.133 ( -1.467 0.000 -0.084) 1.469 3.161 ( -2.522 0.000 3.115) 4.008 3.214 ( -3.542 0.000 0.520) 3.580 3.288 ( -0.201 0.000 -5.675) 5.678 3.616 ( -5.088 0.000 5.037) 7.160 3.953 ( 1.526 0.000 -1.405) 2.075 4.138 ( -0.322 0.000 1.863) 1.891 4.931 ( 18.298 0.000 16.454) 24.608 5.251 ( 4.918 0.000 5.265) 7.204 5.643 ( 0.495 0.000 -4.192) 4.221 5.777 ( 4.815 0.000 -1.802) 5.141 5.995 ( -3.649 0.000 -3.085) 4.778 6.269 ( -12.817 0.000 -26.872) 29.773 6.383 ( 3.885 0.000 -6.545) 7.611 6.692 ( 2.290 0.000 9.039) 9.324 7.325 ( 5.711 0.000 -1.382) 5.876 7.451 ( 0.943 0.000 0.108) 0.949 7.736 ( 1.850 0.000 3.109) 3.618 8.519 ( 2.407 0.000 6.313) 6.756 9.218 ( 11.221 0.000 19.377) 22.391 9.808 ( -2.572 0.000 2.964) 3.924 10.576 ( 2.693 0.000 3.498) 4.414 10.743 ( -8.132 0.000 -2.408) 8.481 11.731 ( 1.304 0.000 -3.140) 3.400 11.794 ( 0.689 0.000 -5.348) 5.392 11.824 ( 12.687 0.000 13.813) 18.755 11.974 ( -10.643 0.000 -6.915) 12.692 12.728 ( -0.059 0.000 1.383) 1.384 13.011 ( -1.481 0.000 -4.749) 4.974 13.530 ( 2.909 0.000 2.565) 3.878 13.643 ( -0.500 0.000 1.080) 1.190 13.797 ( 0.505 0.000 4.048) 4.079 13.993 ( 1.174 0.000 -0.527) 1.287 14.317 ( -10.792 0.000 -14.135) 17.784 23.170 ( 2.704 0.000 4.348) 5.121 24.351 ( 42.954 0.000 54.153) 69.120 24.586 ( 0.561 0.000 7.052) 7.074 25.007 ( -0.063 0.000 -0.475) 0.479 25.096 ( 0.300 0.000 0.201) 0.361 25.636 ( -26.532 0.000 -47.160) 54.111 28.721 ( 2.365 0.000 -0.551) 2.429 28.925 ( -8.810 0.000 -7.317) 11.453 ======================= Grid point 90 (35/185) ======================= q-point: ( 0.00 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -0.520 12.247 21.599) 24.835 0.774 ( 1.927 18.411 20.879) 27.904 1.274 ( -4.791 35.756 28.109) 45.734 2.124 ( 2.921 1.263 0.044) 3.182 2.620 ( -0.954 2.705 3.210) 4.305 2.772 ( -2.398 10.445 -2.103) 10.921 2.941 ( -2.068 -3.137 -9.825) 10.519 3.157 ( -1.849 0.109 7.127) 7.363 3.388 ( 4.127 4.620 0.627) 6.226 3.625 ( -1.875 3.901 5.361) 6.890 3.731 ( 9.140 24.743 -19.033) 32.527 3.942 ( 0.188 -1.407 -2.823) 3.159 4.137 ( -1.012 -0.715 3.285) 3.511 5.075 ( -17.502 -17.440 15.746) 29.299 5.192 ( 3.346 -3.633 -2.260) 5.432 5.603 ( 4.990 -1.420 -4.309) 6.744 5.819 ( 1.740 -1.646 0.504) 2.448 5.884 ( 3.295 -0.852 -0.795) 3.495 6.146 ( 7.542 4.130 -13.198) 15.752 6.551 ( 2.671 11.958 -4.361) 13.005 6.727 ( -0.978 -3.876 9.805) 10.588 7.394 ( -3.798 0.141 0.272) 3.810 7.438 ( 0.357 6.404 -2.422) 6.856 7.810 ( 0.934 2.103 5.179) 5.667 8.516 ( -1.816 -3.939 6.459) 7.780 8.930 ( -9.694 -11.712 15.929) 22.020 10.123 ( -4.354 15.992 -16.525) 23.405 10.562 ( -3.962 1.145 -0.540) 4.159 10.785 ( 3.681 2.609 4.160) 6.137 11.247 ( -12.816 -0.859 1.746) 12.963 11.746 ( -0.634 -2.451 -0.233) 2.542 11.886 ( 0.995 6.257 -2.128) 6.684 12.236 ( 17.323 -17.223 13.425) 27.874 12.662 ( -0.983 -6.045 0.755) 6.171 12.916 ( -1.887 -2.955 -7.788) 8.541 13.476 ( -1.087 -7.188 -1.187) 7.365 13.788 ( 0.479 -3.330 1.610) 3.729 13.908 ( -4.037 7.711 -3.110) 9.243 14.027 ( 3.544 4.090 0.215) 5.416 14.251 ( 10.772 1.394 -0.030) 10.862 23.187 ( -0.173 -4.615 6.609) 8.063 23.403 ( -32.996 -26.774 27.961) 50.866 24.443 ( -1.635 -5.300 -4.348) 7.047 24.708 ( 10.615 -16.263 3.600) 19.751 25.437 ( -1.570 23.487 -0.530) 23.545 26.589 ( 10.913 26.304 -24.832) 37.784 28.748 ( -2.526 -1.804 0.094) 3.105 28.774 ( 5.798 -2.036 0.383) 6.157 ======================= Grid point 91 (36/185) ======================= q-point: ( 0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 16.262 17.455 13.087) 27.211 1.090 ( 14.392 22.639 15.711) 31.088 1.571 ( 22.867 17.080 27.041) 39.317 2.181 ( 2.410 -0.060 4.195) 4.838 2.621 ( -1.143 3.572 3.788) 5.330 2.676 ( -5.206 11.087 -3.780) 12.819 2.914 ( 3.488 -2.734 -8.291) 9.401 3.171 ( -1.274 0.180 6.863) 6.983 3.434 ( 0.393 5.434 2.208) 5.878 3.568 ( -1.037 17.153 -4.512) 17.767 3.814 ( 4.085 3.098 -2.291) 5.615 3.920 ( -0.566 -0.078 -3.286) 3.335 4.181 ( 4.530 -2.308 3.160) 5.986 4.729 ( -20.631 -5.385 15.851) 26.569 5.233 ( 1.650 -4.641 0.879) 5.004 5.638 ( 1.843 -2.205 -5.979) 6.634 5.786 ( -4.208 -0.945 0.615) 4.357 5.975 ( 4.139 3.047 -6.135) 8.003 6.292 ( 10.093 -6.439 -15.654) 19.707 6.565 ( 0.775 9.648 -0.857) 9.716 6.739 ( -3.656 -4.655 9.728) 11.387 7.337 ( -2.218 1.521 0.141) 2.693 7.387 ( -4.166 7.701 -3.056) 9.274 7.829 ( -2.802 1.858 6.369) 7.202 8.488 ( -3.958 -3.015 4.439) 6.668 8.839 ( -7.918 -2.975 14.308) 16.621 9.902 ( -8.243 17.197 -8.567) 20.907 10.517 ( -1.156 4.226 0.192) 4.385 10.898 ( 6.300 -3.362 6.138) 9.416 11.204 ( 2.694 3.005 1.911) 4.465 11.719 ( -0.912 0.393 -3.047) 3.204 11.928 ( 3.768 4.508 -0.589) 5.905 12.407 ( -1.245 -14.752 1.615) 14.892 12.671 ( 1.766 -7.867 -0.945) 8.118 12.846 ( -1.184 -4.318 -6.336) 7.758 13.408 ( -5.013 -6.931 -3.117) 9.103 13.761 ( -2.066 2.445 -0.216) 3.209 13.875 ( -0.826 3.081 3.438) 4.690 14.011 ( -3.179 2.852 1.382) 4.489 14.496 ( 11.387 -6.815 -3.321) 13.679 23.065 ( -14.285 -5.289 17.061) 22.872 23.217 ( -1.592 -2.104 7.371) 7.829 24.474 ( 6.227 -8.399 -1.773) 10.605 24.885 ( 6.940 -11.055 0.920) 13.085 25.377 ( -3.407 23.132 -0.256) 23.383 26.549 ( -1.937 14.326 -13.341) 19.671 28.706 ( -1.854 -2.358 0.177) 3.005 28.907 ( 6.279 -5.367 -1.521) 8.399 ======================= Grid point 92 (37/185) ======================= q-point: ( 0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 10.737 30.088 5.616) 32.436 1.418 ( 14.083 14.141 16.569) 25.939 2.197 ( 15.472 -2.950 12.295) 19.981 2.307 ( 19.138 4.293 9.020) 21.588 2.545 ( -5.478 10.257 -3.490) 12.141 2.645 ( 2.240 8.908 5.337) 10.623 2.946 ( 2.075 -1.361 -5.232) 5.791 3.167 ( -1.274 -0.153 2.853) 3.128 3.458 ( 1.263 5.012 3.806) 6.419 3.575 ( 3.662 12.243 -2.186) 12.965 3.802 ( -3.751 -3.199 -0.945) 5.020 3.973 ( 7.738 3.490 0.305) 8.494 4.290 ( 3.152 -2.885 3.740) 5.678 4.532 ( -8.656 -2.267 8.420) 12.286 5.249 ( -0.634 -3.194 0.466) 3.289 5.594 ( -4.681 -2.981 -5.901) 8.101 5.709 ( -2.485 -1.684 -1.028) 3.173 6.006 ( 3.936 5.268 -7.869) 10.255 6.249 ( -4.194 -5.022 -14.082) 15.528 6.592 ( 1.391 7.857 2.600) 8.392 6.697 ( -6.020 -3.897 8.011) 10.752 7.262 ( -6.910 9.114 -2.482) 11.704 7.319 ( -0.744 2.734 0.298) 2.850 7.774 ( -6.701 1.994 6.463) 9.521 8.439 ( -2.907 -1.463 1.205) 3.470 8.801 ( -4.993 -0.995 13.565) 14.489 9.767 ( -3.603 12.714 -3.222) 13.601 10.516 ( 0.531 4.267 0.854) 4.384 11.061 ( 7.725 -5.782 5.101) 10.914 11.285 ( 4.088 2.482 2.369) 5.337 11.685 ( -0.493 1.610 -4.454) 4.761 12.000 ( 4.165 3.927 -0.650) 5.762 12.334 ( -5.302 -8.227 -0.590) 9.806 12.687 ( 2.032 -6.167 -5.384) 8.435 12.811 ( -0.484 -6.178 -1.443) 6.362 13.272 ( -7.364 -6.113 -4.125) 10.422 13.740 ( -0.666 2.641 1.366) 3.047 13.877 ( -1.014 1.026 2.583) 2.959 13.950 ( -4.153 1.592 1.394) 4.661 14.617 ( 4.722 -7.117 -2.652) 8.943 22.990 ( -3.292 -0.906 7.134) 7.909 23.230 ( -2.001 -2.124 10.050) 10.465 24.618 ( 9.731 -10.434 -1.599) 14.356 24.988 ( 4.952 -4.701 -0.878) 6.884 25.338 ( -0.308 20.686 0.107) 20.688 26.398 ( -8.441 9.339 -8.302) 15.079 28.685 ( -0.622 -2.002 0.844) 2.260 28.969 ( 2.028 -5.599 -2.013) 6.286 ======================= Grid point 93 (38/185) ======================= q-point: ( 0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 5.684 36.400 2.448) 36.922 1.756 ( 13.717 4.743 11.571) 18.562 2.321 ( 1.226 -1.953 8.715) 9.015 2.388 ( -5.845 11.106 -2.370) 12.772 2.588 ( 1.315 2.874 2.300) 3.909 2.849 ( -8.919 5.323 2.764) 10.748 3.036 ( 25.821 4.908 5.466) 26.845 3.210 ( 5.735 -3.773 -3.018) 7.499 3.523 ( 3.226 3.545 3.832) 6.137 3.669 ( 5.915 6.942 1.703) 9.278 3.726 ( -1.942 -1.371 -2.039) 3.132 4.167 ( 12.243 4.210 1.955) 13.093 4.266 ( -7.644 -2.899 7.113) 10.837 4.510 ( 1.321 -1.001 -0.214) 1.671 5.200 ( -5.100 0.247 -0.733) 5.158 5.419 ( -9.522 -2.572 -5.422) 11.255 5.681 ( 0.134 -4.271 -4.880) 6.487 6.036 ( 4.134 5.034 -8.756) 10.913 6.077 ( -5.737 -2.501 -8.942) 10.915 6.593 ( -5.998 0.519 7.778) 9.836 6.649 ( -0.544 4.709 1.806) 5.072 7.126 ( -6.062 11.423 -1.572) 13.027 7.317 ( -0.028 2.400 1.299) 2.729 7.674 ( -7.389 1.329 5.473) 9.291 8.400 ( -1.544 -0.120 -0.238) 1.567 8.794 ( -3.898 -1.073 13.735) 14.318 9.722 ( -0.806 9.442 0.376) 9.483 10.538 ( 1.044 2.565 1.332) 3.073 11.215 ( 6.205 -5.514 3.660) 9.073 11.351 ( 1.191 0.127 2.466) 2.742 11.661 ( 0.846 3.241 -4.696) 5.768 12.063 ( 3.434 2.655 -2.114) 4.829 12.239 ( -4.602 -4.945 -0.051) 6.755 12.700 ( 2.456 -5.139 -4.750) 7.416 12.810 ( 0.807 -5.524 0.332) 5.592 13.120 ( -6.383 -5.735 -3.588) 9.301 13.747 ( 0.397 1.040 1.952) 2.248 13.854 ( -2.539 0.590 -0.542) 2.663 13.892 ( -2.911 0.752 3.197) 4.389 14.662 ( 2.137 -6.885 -2.867) 7.759 22.978 ( -1.088 -0.150 1.305) 1.706 23.258 ( -1.802 -2.043 13.363) 13.638 24.769 ( 7.129 -11.189 -2.210) 13.450 25.061 ( 3.541 -1.278 -1.588) 4.086 25.391 ( 7.069 18.851 -0.664) 20.144 26.153 ( -13.656 7.892 -7.341) 17.397 28.691 ( 0.393 -1.672 1.096) 2.038 28.974 ( 0.125 -5.305 -1.844) 5.618 ======================= Grid point 94 (39/185) ======================= q-point: ( 0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 2.154 36.836 1.107) 36.915 1.989 ( 5.239 -0.131 4.574) 6.956 2.237 ( -7.040 8.620 -4.167) 11.884 2.404 ( 0.355 0.343 9.283) 9.296 2.612 ( 0.493 5.603 2.926) 6.340 2.680 ( -7.868 9.483 3.021) 12.687 3.265 ( 3.947 -1.974 -3.371) 5.553 3.392 ( 7.143 -3.841 3.207) 8.721 3.586 ( 0.003 -1.790 2.849) 3.364 3.666 ( 0.693 4.236 -1.370) 4.506 3.861 ( 7.347 7.992 2.371) 11.112 4.158 ( -5.974 -1.288 3.648) 7.117 4.366 ( 2.076 4.218 0.141) 4.703 4.514 ( 3.367 -2.970 0.901) 4.579 5.077 ( -5.394 3.088 -2.320) 6.635 5.256 ( -3.818 -1.202 -5.082) 6.469 5.653 ( 0.614 -5.545 -6.901) 8.874 5.982 ( 0.018 -4.298 -4.685) 6.358 6.076 ( 5.501 6.335 -9.439) 12.629 6.518 ( -6.007 -0.576 7.661) 9.752 6.637 ( -2.130 8.607 -0.375) 8.875 7.054 ( -1.017 11.550 0.488) 11.605 7.327 ( 0.051 2.613 1.347) 2.940 7.586 ( -4.751 0.498 4.697) 6.699 8.383 ( -0.273 0.903 -0.094) 0.948 8.806 ( -3.101 -1.518 14.279) 14.690 9.733 ( 0.754 7.812 3.280) 8.506 10.562 ( 0.528 1.056 1.894) 2.231 11.290 ( -0.530 -4.052 -1.047) 4.218 11.366 ( 0.582 -3.294 3.255) 4.667 11.671 ( 2.335 4.931 -2.733) 6.102 12.090 ( 1.069 0.848 -5.247) 5.421 12.176 ( -2.297 -2.800 1.886) 4.084 12.706 ( -0.018 -5.626 -2.283) 6.071 12.858 ( 4.358 -3.361 0.058) 5.503 13.030 ( -1.682 -6.115 -0.938) 6.411 13.769 ( -0.294 0.302 1.837) 1.885 13.802 ( -1.234 -0.368 -0.582) 1.413 13.869 ( -1.684 1.106 2.484) 3.198 14.667 ( 0.462 -6.859 -3.864) 7.886 22.962 ( -0.556 0.216 -1.121) 1.270 23.304 ( -2.023 -2.202 15.783) 16.064 24.837 ( 1.986 -10.476 -3.052) 11.091 25.093 ( 1.056 0.554 -1.538) 1.946 25.585 ( 14.265 16.891 -3.681) 22.413 25.846 ( -15.125 7.559 -6.332) 18.055 28.699 ( -0.249 -1.457 0.657) 1.618 28.968 ( 0.433 -5.178 -1.282) 5.352 ======================= Grid point 95 (40/185) ======================= q-point: (-0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -2.878 36.326 1.447) 36.468 1.965 ( -10.502 1.959 2.068) 10.882 2.031 ( -9.679 3.347 -6.792) 12.288 2.472 ( 2.988 2.831 3.904) 5.673 2.626 ( -0.527 5.808 5.196) 7.810 2.681 ( 3.962 10.011 4.084) 11.515 3.274 ( -2.829 -1.386 -0.211) 3.157 3.427 ( -4.438 -2.843 2.769) 5.953 3.504 ( -9.797 0.545 -0.583) 9.829 3.709 ( 2.046 1.058 1.099) 2.552 3.844 ( -6.576 7.805 0.613) 10.224 4.089 ( -4.110 -0.242 -0.830) 4.200 4.232 ( -8.880 3.499 -2.316) 9.821 4.654 ( 4.132 -3.120 5.321) 7.424 5.039 ( 2.718 2.640 -4.432) 5.831 5.270 ( 8.090 -0.834 -3.475) 8.845 5.638 ( 1.712 -5.319 -6.646) 8.683 6.018 ( 6.562 -4.604 -5.018) 9.457 6.138 ( 6.536 4.899 -9.030) 12.176 6.470 ( -3.723 0.781 8.240) 9.076 6.577 ( -2.772 10.546 -2.771) 11.251 7.087 ( 3.514 10.705 1.483) 11.364 7.331 ( -0.048 2.348 1.193) 2.634 7.566 ( -0.209 0.561 4.475) 4.515 8.388 ( 0.576 1.160 0.604) 1.429 8.835 ( -2.429 -2.305 14.838) 15.211 9.781 ( 1.973 8.142 5.584) 10.068 10.573 ( -0.567 0.603 2.388) 2.527 11.205 ( -5.880 -5.669 -3.948) 9.072 11.402 ( 0.511 -2.484 3.784) 4.555 11.702 ( 1.891 4.958 -1.257) 5.453 12.038 ( -2.696 2.131 -5.657) 6.619 12.182 ( 1.375 -4.345 0.225) 4.563 12.685 ( -0.699 -5.902 -1.915) 6.244 12.941 ( 3.507 -2.787 1.643) 4.772 13.062 ( 5.132 -6.170 1.145) 8.107 13.733 ( -2.337 0.633 0.044) 2.421 13.827 ( 1.203 -0.205 0.926) 1.532 13.861 ( 0.254 1.258 2.051) 2.419 14.637 ( -1.137 -6.751 -5.139) 8.560 22.955 ( 0.586 0.159 -0.741) 0.958 23.351 ( -2.687 -2.710 17.916) 18.318 24.811 ( -2.593 -11.745 -4.630) 12.888 25.088 ( -0.641 -0.283 -1.817) 1.948 25.535 ( -12.100 15.981 -5.448) 20.773 25.863 ( 15.879 11.050 -6.095) 20.283 28.684 ( -1.439 -1.386 0.012) 1.998 28.981 ( 1.445 -5.199 -0.679) 5.439 ======================= Grid point 96 (41/185) ======================= q-point: (-0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -11.044 32.547 1.732) 34.413 1.622 ( -22.976 8.450 1.767) 24.544 1.953 ( 1.692 1.974 -6.507) 7.008 2.528 ( 0.344 3.373 1.983) 3.928 2.645 ( -2.371 3.825 4.680) 6.492 2.739 ( -8.187 8.539 4.512) 12.661 3.029 ( -15.716 7.036 4.613) 17.826 3.291 ( -4.258 -1.518 -0.916) 4.613 3.412 ( -3.216 0.400 0.709) 3.318 3.695 ( -4.948 1.149 0.270) 5.087 3.791 ( -1.152 3.454 2.009) 4.158 3.948 ( -6.331 3.818 -6.741) 10.005 4.147 ( -0.695 1.834 1.637) 2.555 4.689 ( -2.529 -3.011 6.804) 7.859 5.079 ( 3.714 -0.912 -5.174) 6.434 5.454 ( 11.976 -1.266 -2.476) 12.294 5.638 ( 1.827 -4.092 -5.727) 7.272 6.142 ( 10.065 -4.802 -8.881) 14.256 6.190 ( 3.131 1.246 -7.028) 7.794 6.468 ( -1.429 8.772 5.402) 10.401 6.545 ( 1.825 4.951 -1.228) 5.418 7.181 ( 6.000 10.208 0.427) 11.849 7.351 ( 1.455 1.587 2.012) 2.947 7.612 ( 2.392 1.173 4.177) 4.954 8.407 ( 0.929 0.733 1.514) 1.922 8.874 ( -2.313 -3.594 15.455) 16.035 9.866 ( 3.662 10.495 6.853) 13.058 10.567 ( -1.446 1.277 2.616) 3.251 11.056 ( -7.843 -6.125 -4.398) 10.880 11.430 ( 0.115 -2.152 6.068) 6.440 11.716 ( 0.161 2.392 -1.002) 2.599 11.956 ( -2.628 4.290 -5.613) 7.538 12.202 ( 1.184 -6.035 -3.618) 7.136 12.667 ( -0.342 -6.021 -1.071) 6.125 12.997 ( 1.649 -2.971 1.869) 3.878 13.200 ( 8.349 -6.104 1.697) 10.481 13.702 ( -1.034 1.162 -0.084) 1.558 13.827 ( -0.732 2.673 0.981) 2.940 13.911 ( 2.907 0.198 1.771) 3.409 14.570 ( -2.657 -6.442 -6.906) 9.810 22.982 ( 2.299 -0.745 1.601) 2.899 23.406 ( -2.798 -4.412 22.118) 22.727 24.694 ( -6.773 -13.166 -6.289) 16.086 25.038 ( -3.808 -4.934 -3.075) 6.949 25.361 ( -4.479 19.865 -1.653) 20.431 26.097 ( 14.511 14.711 -10.975) 23.397 28.660 ( -0.850 -1.564 -0.152) 1.787 29.000 ( 0.690 -5.395 -0.791) 5.496 ======================= Grid point 97 (42/185) ======================= q-point: (-0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -20.132 18.166 1.122) 27.140 1.247 ( -18.779 23.683 6.433) 30.902 1.988 ( 3.980 3.391 -3.249) 6.155 2.096 ( -42.253 7.783 8.613) 43.818 2.604 ( 1.174 5.045 1.163) 5.308 2.706 ( 0.973 7.507 5.243) 9.208 3.061 ( 5.745 4.837 5.550) 9.338 3.215 ( -4.797 -2.346 0.693) 5.385 3.352 ( -2.978 3.564 -3.569) 5.858 3.543 ( -7.404 4.349 -2.509) 8.946 3.769 ( -1.018 10.815 -1.252) 10.935 3.906 ( 2.104 -1.088 -1.261) 2.683 4.155 ( -0.462 1.699 1.886) 2.580 4.693 ( -0.364 -3.063 10.608) 11.047 5.112 ( 2.504 -4.096 -3.135) 5.733 5.622 ( 4.809 -1.168 -3.842) 6.265 5.654 ( 5.616 -2.662 -3.139) 6.963 6.156 ( -2.196 2.920 -5.674) 6.748 6.246 ( 5.522 -8.688 -12.322) 16.056 6.479 ( 2.709 11.870 -3.134) 12.572 6.615 ( 3.208 0.193 4.310) 5.376 7.300 ( 6.944 9.280 -1.239) 11.656 7.400 ( 2.142 0.442 2.714) 3.486 7.687 ( 3.146 1.526 3.928) 5.259 8.439 ( 1.211 -0.324 3.242) 3.476 8.917 ( -2.480 -6.366 16.772) 18.110 9.986 ( 5.961 14.566 5.101) 16.545 10.562 ( -0.299 2.324 3.121) 3.903 10.885 ( -8.382 -4.480 -3.389) 10.090 11.492 ( 2.143 -3.435 11.991) 12.657 11.693 ( -2.110 -3.672 -1.877) 4.632 11.893 ( -0.992 6.085 -4.737) 7.775 12.156 ( -3.247 -4.778 -9.729) 11.315 12.663 ( -0.010 -5.932 0.708) 5.974 13.015 ( -0.040 -2.790 -1.050) 2.982 13.356 ( 7.178 -6.814 1.812) 10.062 13.698 ( 0.759 1.673 0.129) 1.842 13.827 ( 0.409 5.152 1.442) 5.365 13.966 ( 1.936 0.521 1.441) 2.469 14.462 ( -4.593 -5.445 -9.537) 11.904 23.052 ( 3.410 -2.539 4.168) 5.954 23.506 ( -1.697 -11.387 31.757) 33.779 24.531 ( -6.413 -11.262 -5.893) 14.237 24.915 ( -7.330 -11.755 -5.476) 14.896 25.339 ( 1.687 22.452 0.399) 22.519 26.269 ( 13.015 22.483 -16.295) 30.666 28.661 ( 1.116 -2.061 -0.003) 2.344 28.980 ( -2.581 -5.639 -2.133) 6.558 ======================= Grid point 98 (43/185) ======================= q-point: (-0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -18.035 15.126 10.231) 25.666 0.952 ( -21.960 20.380 10.706) 31.815 1.442 ( -31.591 25.065 21.859) 45.870 2.062 ( 4.726 2.477 -2.462) 5.877 2.619 ( -0.613 3.434 2.795) 4.470 2.763 ( 2.498 9.378 1.427) 9.809 3.091 ( -7.184 -3.970 -7.439) 11.077 3.156 ( -1.256 0.645 8.582) 8.697 3.305 ( 4.023 5.083 -5.641) 8.593 3.525 ( 4.453 8.475 3.843) 10.316 3.744 ( 0.951 18.743 -8.841) 20.745 3.941 ( 1.859 -0.366 -2.098) 2.827 4.146 ( -1.574 0.813 2.849) 3.355 4.869 ( 12.654 -6.253 19.125) 23.769 5.143 ( 2.074 -5.785 -0.300) 6.153 5.622 ( 0.031 -2.027 -5.110) 5.497 5.762 ( 4.780 -1.174 -0.902) 5.004 6.039 ( -9.133 -1.646 -4.927) 10.507 6.191 ( -1.312 -2.379 -16.680) 16.899 6.520 ( 3.740 11.886 -5.684) 13.695 6.680 ( 0.709 -1.908 7.585) 7.853 7.402 ( 4.740 7.409 -1.862) 8.991 7.434 ( -0.344 -0.763 1.435) 1.661 7.757 ( 2.182 1.911 3.728) 4.724 8.485 ( 1.008 -2.365 5.716) 6.268 8.960 ( -3.766 -12.419 17.909) 22.117 10.123 ( 8.022 16.106 -4.927) 18.655 10.605 ( 2.041 1.962 2.631) 3.864 10.741 ( -4.616 0.565 0.262) 4.658 11.574 ( -11.471 -12.261 -7.044) 18.207 11.663 ( 6.337 -10.837 18.456) 22.321 11.895 ( 4.368 6.466 2.786) 8.285 11.979 ( -6.962 6.157 -10.544) 14.056 12.669 ( -0.247 -6.122 1.559) 6.323 12.984 ( -1.463 -2.685 -5.125) 5.968 13.459 ( 3.150 -7.228 0.711) 7.917 13.736 ( 2.922 0.018 1.615) 3.338 13.878 ( 5.474 10.013 0.689) 11.433 13.984 ( -0.962 -0.065 0.324) 1.017 14.299 ( -7.135 -0.941 -9.013) 11.534 23.134 ( 2.404 -3.882 5.253) 6.960 23.645 ( -9.288 -34.307 40.495) 53.880 24.454 ( 1.999 -5.870 -2.187) 6.576 24.707 ( -10.266 -15.933 -8.327) 20.702 25.404 ( 4.074 23.479 1.037) 23.852 26.426 ( 17.001 33.950 -22.588) 44.180 28.695 ( 2.385 -2.287 0.073) 3.305 28.872 ( -7.329 -3.981 -3.206) 8.935 ======================= Grid point 99 (44/185) ======================= q-point: ( 0.00 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 3.776 18.807 15.074) 24.397 1.164 ( -0.344 21.515 12.987) 25.133 1.979 ( -2.307 34.124 15.301) 37.468 2.135 ( 0.591 0.570 2.721) 2.842 2.652 ( -0.237 0.520 0.888) 1.056 2.844 ( -4.999 -4.351 -3.269) 7.390 3.072 ( 2.435 15.878 -1.884) 16.173 3.156 ( -1.932 -0.394 7.356) 7.616 3.469 ( 3.119 3.847 0.370) 4.966 3.665 ( 0.961 3.507 5.916) 6.944 3.876 ( 2.753 -4.608 -3.933) 6.654 4.063 ( -0.602 1.898 -1.636) 2.577 4.216 ( -0.816 12.528 -10.535) 16.389 4.825 ( -9.666 -10.309 9.163) 16.842 5.137 ( 3.425 -1.044 -2.446) 4.336 5.571 ( 3.696 -2.163 -5.204) 6.739 5.789 ( 0.894 -1.306 0.650) 1.711 5.869 ( 2.338 -0.730 -0.643) 2.532 6.160 ( 3.087 -0.845 -9.221) 9.761 6.625 ( -1.822 -6.502 7.583) 10.154 6.840 ( 0.976 18.396 -1.239) 18.463 7.418 ( -2.232 2.346 0.590) 3.292 7.600 ( 0.769 9.326 -3.591) 10.023 7.844 ( 0.432 1.165 4.848) 5.005 8.468 ( -1.997 -0.463 5.350) 5.730 8.802 ( -4.320 -3.908 12.711) 13.982 10.301 ( 0.310 4.868 -10.134) 11.247 10.562 ( -1.235 -1.715 2.836) 3.537 10.841 ( -0.067 3.953 3.667) 5.392 11.272 ( -5.126 2.701 2.575) 6.340 11.622 ( 3.219 -7.195 5.635) 9.690 12.033 ( 0.934 6.917 -2.381) 7.375 12.146 ( 3.647 3.460 -1.841) 5.353 12.500 ( -0.911 -10.061 1.984) 10.295 12.845 ( -1.782 -4.352 -9.016) 10.169 13.276 ( -0.407 -13.185 -2.902) 13.507 13.746 ( 0.464 -0.654 1.214) 1.455 13.935 ( -1.262 -1.163 4.350) 4.676 14.149 ( -0.055 6.209 -2.364) 6.644 14.289 ( 4.454 2.091 -0.211) 4.925 23.039 ( -5.566 -6.313 11.509) 14.258 23.198 ( -6.804 -4.130 9.939) 12.733 24.316 ( -2.382 -7.337 -4.158) 8.763 24.452 ( 9.962 -10.932 2.421) 14.987 25.898 ( -0.851 24.221 0.007) 24.236 26.888 ( 2.001 8.835 -13.156) 15.973 28.701 ( -1.852 -2.961 0.172) 3.497 28.726 ( 2.537 -2.879 -0.009) 3.838 ======================= Grid point 100 (45/185) ======================= q-point: ( 0.11 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 14.805 20.234 10.840) 27.315 1.392 ( 22.242 11.984 15.689) 29.740 2.085 ( 3.834 26.030 10.340) 28.270 2.181 ( 4.483 3.869 7.553) 9.598 2.686 ( 1.764 3.809 4.557) 6.196 2.783 ( 1.587 -1.809 -4.601) 5.192 3.063 ( -2.059 17.482 -3.355) 17.920 3.175 ( -0.782 0.365 7.509) 7.559 3.525 ( 1.912 2.707 2.401) 4.092 3.696 ( -0.748 2.792 4.584) 5.420 3.887 ( 1.650 -3.486 -4.038) 5.584 4.078 ( -1.955 16.458 -14.226) 21.842 4.119 ( 1.639 -3.555 4.862) 6.242 4.610 ( -14.477 -6.909 10.336) 19.083 5.185 ( 2.897 -0.169 -0.881) 3.033 5.583 ( 0.669 -3.639 -6.841) 7.778 5.767 ( -3.587 -0.802 0.731) 3.748 5.966 ( 5.518 -2.492 -2.755) 6.652 6.189 ( 4.700 -4.071 -10.305) 12.036 6.622 ( -3.093 -7.294 7.354) 10.810 6.848 ( 0.442 19.186 0.359) 19.194 7.380 ( -1.814 3.011 -0.013) 3.515 7.572 ( -1.693 10.679 -3.367) 11.324 7.854 ( -2.525 0.149 4.824) 5.447 8.450 ( -2.722 -0.258 4.476) 5.245 8.788 ( -4.597 -2.431 12.613) 13.642 10.191 ( -5.658 11.975 -8.873) 15.942 10.592 ( 1.667 2.057 3.019) 4.015 10.857 ( 0.729 0.813 5.372) 5.482 11.265 ( 1.722 2.866 2.623) 4.250 11.685 ( 1.713 -3.476 2.188) 4.450 12.055 ( 3.006 6.724 -2.836) 7.892 12.183 ( 0.467 -6.175 -1.059) 6.282 12.500 ( -0.128 -9.759 1.768) 9.919 12.763 ( -1.192 -4.680 -10.132) 11.224 13.218 ( -3.799 -12.547 -4.224) 13.773 13.753 ( -0.221 -0.546 1.025) 1.182 13.935 ( -1.203 0.714 3.272) 3.558 14.086 ( -5.264 4.961 1.045) 7.308 14.395 ( 5.645 -3.527 -0.823) 6.707 22.988 ( -4.926 -2.533 9.658) 11.133 23.170 ( -2.144 -2.892 7.053) 7.919 24.331 ( 5.101 -6.306 -1.333) 8.220 24.661 ( 10.851 -11.635 2.073) 16.044 25.841 ( -4.486 24.434 -0.304) 24.845 26.785 ( -5.200 9.470 -11.031) 15.440 28.653 ( -1.992 -2.907 0.331) 3.539 28.803 ( 3.819 -5.308 -0.330) 6.548 ======================= Grid point 101 (46/185) ======================= q-point: ( 0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 13.077 13.743 10.253) 21.564 1.858 ( 15.252 19.727 10.349) 26.998 2.155 ( 1.728 -1.365 6.475) 6.839 2.461 ( 17.481 11.856 4.964) 21.697 2.738 ( 1.141 10.838 7.468) 13.212 2.874 ( 9.674 6.212 -1.783) 11.634 2.986 ( -2.572 13.134 -4.140) 14.009 3.186 ( -2.669 1.828 6.845) 7.571 3.566 ( 1.574 5.692 3.858) 7.055 3.688 ( -2.449 -1.969 2.833) 4.231 3.852 ( -2.474 7.282 -6.718) 10.212 4.041 ( 6.537 3.955 -2.281) 7.973 4.218 ( 2.538 -3.938 4.996) 6.849 4.475 ( -4.674 -3.663 5.393) 8.022 5.225 ( 1.913 0.795 -1.227) 2.408 5.524 ( -3.457 -4.270 -6.984) 8.886 5.681 ( -5.273 -0.897 -0.748) 5.400 6.011 ( 1.803 -3.573 -4.443) 5.980 6.168 ( -0.475 -3.168 -10.750) 11.217 6.590 ( -4.572 -6.668 6.651) 10.469 6.868 ( 1.248 19.657 1.415) 19.747 7.355 ( -1.052 3.278 0.407) 3.466 7.508 ( -3.293 13.262 -2.825) 13.953 7.799 ( -6.130 -0.006 4.359) 7.522 8.425 ( -2.144 0.630 3.144) 3.857 8.773 ( -4.526 -1.904 12.662) 13.581 10.048 ( -5.248 15.187 -4.891) 16.796 10.614 ( -0.860 5.193 2.427) 5.796 10.949 ( 5.674 -4.811 5.648) 9.340 11.321 ( 1.654 0.924 3.448) 3.934 11.717 ( 1.865 1.648 -1.894) 3.128 12.099 ( 3.128 3.112 -3.382) 5.560 12.162 ( -1.507 -5.582 -0.263) 5.788 12.512 ( 0.639 -10.825 0.863) 10.878 12.706 ( 0.601 -5.469 -8.191) 9.867 13.101 ( -6.071 -11.388 -4.968) 13.828 13.751 ( -0.545 -0.233 1.074) 1.227 13.925 ( -1.503 1.693 2.412) 3.308 13.987 ( -6.224 3.039 1.633) 7.116 14.466 ( 2.824 -7.829 -1.108) 8.396 22.975 ( -1.367 -0.491 5.157) 5.358 23.179 ( -1.669 -3.057 9.037) 9.685 24.459 ( 8.856 -6.043 -0.854) 10.756 24.849 ( 9.179 -9.127 0.110) 12.945 25.767 ( -2.739 23.177 -0.016) 23.338 26.599 ( -9.501 10.198 -8.437) 16.293 28.636 ( -0.285 -2.908 0.795) 3.028 28.846 ( 1.443 -6.652 -1.063) 6.889 ======================= Grid point 102 (47/185) ======================= q-point: ( 0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 10.146 6.860 7.456) 14.338 2.030 ( 2.715 20.690 1.345) 20.911 2.280 ( 6.239 0.942 11.237) 12.888 2.669 ( 4.557 6.054 4.132) 8.631 2.718 ( -6.447 22.291 -1.028) 23.227 2.959 ( -2.300 5.105 0.866) 5.666 3.146 ( 11.642 4.298 2.502) 12.660 3.183 ( 5.677 3.787 1.661) 7.024 3.599 ( -3.827 1.605 3.363) 5.341 3.687 ( 5.587 2.463 1.904) 6.396 3.847 ( 5.465 8.457 -1.495) 10.180 4.167 ( 0.099 -4.867 4.242) 6.457 4.248 ( 5.300 0.734 1.543) 5.569 4.493 ( 2.512 -0.473 0.243) 2.568 5.233 ( -0.337 3.050 -2.156) 3.750 5.374 ( -8.398 -1.917 -5.940) 10.464 5.594 ( -2.599 -4.150 -4.544) 6.680 5.960 ( -4.083 -6.079 -5.901) 9.405 6.127 ( 2.489 1.248 -7.398) 7.904 6.532 ( -5.328 -5.117 5.950) 9.485 6.900 ( 1.206 19.285 1.353) 19.370 7.344 ( -0.655 5.730 0.700) 5.810 7.437 ( -2.797 14.041 -1.519) 14.397 7.693 ( -7.475 0.197 3.800) 8.387 8.410 ( -1.051 1.448 2.137) 2.787 8.763 ( -4.167 -2.237 13.044) 13.875 9.959 ( -2.715 14.507 -1.084) 14.799 10.603 ( -1.350 3.966 1.939) 4.616 11.094 ( 6.396 -6.539 4.848) 10.353 11.332 ( -2.594 -2.310 2.402) 4.223 11.741 ( 2.664 4.818 -3.483) 6.515 12.115 ( 0.493 -4.283 -1.659) 4.620 12.147 ( 0.259 3.046 -2.281) 3.815 12.532 ( 0.901 -11.479 0.811) 11.543 12.707 ( 3.535 -5.692 -4.639) 8.149 12.961 ( -5.930 -10.471 -4.667) 12.907 13.750 ( -0.078 -0.124 1.362) 1.370 13.885 ( -5.433 1.843 0.890) 5.806 13.910 ( -1.614 1.235 2.298) 3.068 14.493 ( 1.165 -10.092 -1.919) 10.339 22.978 ( -0.601 0.276 1.795) 1.914 23.207 ( -1.495 -3.161 11.890) 12.394 24.607 ( 7.398 -5.810 -2.124) 9.643 24.989 ( 6.520 -6.296 -1.756) 9.232 25.766 ( 2.982 20.192 0.390) 20.414 26.355 ( -12.333 11.908 -7.218) 18.601 28.646 ( 0.707 -2.801 0.899) 3.025 28.850 ( -0.050 -7.041 -1.201) 7.143 ======================= Grid point 103 (48/185) ======================= q-point: ( 0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 1.016 4.760 1.777) 5.182 2.064 ( 0.528 9.426 1.327) 9.533 2.458 ( 7.343 12.651 6.849) 16.152 2.543 ( -11.065 20.618 -1.481) 23.447 2.755 ( 1.671 9.203 5.820) 11.017 2.882 ( -5.292 10.740 3.965) 12.613 3.210 ( 2.348 -3.018 0.761) 3.899 3.356 ( 4.329 0.493 0.470) 4.382 3.556 ( -1.765 -1.455 2.309) 3.250 3.777 ( 2.300 6.498 -0.116) 6.894 4.023 ( 8.564 8.478 1.222) 12.113 4.115 ( -4.025 -2.703 3.848) 6.190 4.426 ( 8.575 -4.614 1.501) 9.853 4.464 ( -5.023 3.567 -3.196) 6.940 5.172 ( -3.626 6.471 -3.965) 8.411 5.240 ( -1.580 -0.057 -4.629) 4.891 5.538 ( 0.014 -6.051 -6.792) 9.096 5.874 ( -0.714 -6.553 -4.375) 7.912 6.157 ( 4.364 1.843 -6.346) 7.919 6.470 ( -4.724 -3.875 5.869) 8.472 6.915 ( -0.333 19.601 0.668) 19.615 7.341 ( 0.245 13.744 0.980) 13.781 7.402 ( -0.646 7.906 -0.867) 7.979 7.595 ( -4.850 0.313 3.878) 6.218 8.410 ( -0.186 1.982 1.777) 2.668 8.763 ( -3.712 -2.974 13.557) 14.367 9.939 ( 0.243 13.272 2.037) 13.429 10.593 ( -0.807 2.158 1.806) 2.927 11.187 ( -0.812 -6.351 -0.518) 6.423 11.285 ( -0.809 -5.103 3.637) 6.318 11.776 ( 2.583 5.329 -1.968) 6.240 12.111 ( -1.049 -3.188 0.778) 3.445 12.128 ( 0.513 3.059 -6.374) 7.088 12.544 ( -0.218 -10.628 0.689) 10.653 12.782 ( 6.312 -5.059 -1.840) 8.295 12.861 ( -2.414 -10.819 -2.220) 11.306 13.767 ( 0.700 0.059 1.803) 1.935 13.805 ( -3.279 0.670 0.610) 3.402 13.896 ( -1.068 1.381 1.845) 2.540 14.490 ( 0.094 -11.024 -3.047) 11.438 22.971 ( -0.647 0.880 0.434) 1.175 23.248 ( -1.885 -3.482 14.001) 14.550 24.679 ( 2.135 -5.710 -4.329) 7.477 25.057 ( 2.192 -4.849 -3.254) 6.237 25.873 ( 6.779 14.548 0.289) 16.053 26.108 ( -8.646 17.194 -6.235) 20.230 28.660 ( 0.026 -2.600 0.519) 2.651 28.844 ( 0.248 -7.203 -0.795) 7.251 ======================= Grid point 104 (49/185) ======================= q-point: (-0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -6.660 6.570 -1.046) 9.414 2.016 ( -3.583 3.012 0.689) 4.732 2.303 ( -14.123 24.490 -0.318) 28.273 2.607 ( 5.566 13.555 0.929) 14.683 2.775 ( -1.754 9.635 6.687) 11.859 2.885 ( 1.954 10.126 5.118) 11.513 3.237 ( -0.507 -2.004 1.742) 2.703 3.390 ( -0.854 0.335 2.375) 2.546 3.520 ( -4.755 0.022 1.003) 4.860 3.768 ( -4.634 4.924 0.070) 6.762 4.003 ( -8.427 8.131 -0.457) 11.719 4.066 ( -2.848 -1.535 0.573) 3.285 4.304 ( -6.315 2.828 -3.602) 7.801 4.578 ( 3.735 -4.401 2.865) 6.444 5.125 ( 0.773 5.896 -6.198) 8.589 5.264 ( 6.997 0.677 -2.694) 7.528 5.525 ( 2.473 -6.010 -6.780) 9.392 5.903 ( 5.849 -7.095 -4.506) 10.240 6.204 ( 4.339 1.835 -6.890) 8.347 6.438 ( -2.136 -3.278 6.929) 7.957 6.895 ( -1.872 20.846 -0.236) 20.931 7.374 ( 2.886 17.616 0.338) 17.854 7.389 ( -0.489 3.537 0.194) 3.576 7.577 ( 0.513 0.521 3.894) 3.962 8.420 ( 0.138 2.202 1.955) 2.948 8.774 ( -3.233 -3.928 13.767) 14.677 9.989 ( 3.291 12.839 4.204) 13.905 10.593 ( -0.311 1.492 1.997) 2.512 11.074 ( -7.316 -7.447 -3.547) 11.026 11.336 ( 1.592 -4.366 3.783) 5.992 11.799 ( 0.176 4.514 -1.083) 4.646 12.081 ( -0.937 -5.604 -1.871) 5.981 12.110 ( 0.480 5.514 -4.990) 7.452 12.532 ( -1.017 -9.420 -0.215) 9.478 12.851 ( 1.676 -8.690 1.400) 8.960 12.907 ( 7.447 -7.672 -0.762) 10.720 13.742 ( -2.251 0.625 0.360) 2.364 13.827 ( 2.826 0.325 1.894) 3.418 13.895 ( -0.035 1.872 1.875) 2.649 14.464 ( -0.870 -10.758 -4.202) 11.582 22.965 ( -0.298 1.050 0.926) 1.432 23.284 ( -2.858 -4.042 15.480) 16.252 24.636 ( -3.529 -6.419 -6.537) 9.818 25.029 ( -3.003 -6.127 -4.770) 8.325 25.835 ( -6.545 16.424 -1.639) 17.756 26.163 ( 13.552 17.578 -3.530) 22.474 28.647 ( -1.400 -2.401 -0.049) 2.780 28.856 ( 1.294 -7.236 -0.194) 7.354 ======================= Grid point 105 (50/185) ======================= q-point: (-0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -17.151 9.587 -0.062) 19.649 1.988 ( -4.369 6.214 -2.080) 7.876 2.046 ( -10.887 19.547 2.278) 22.490 2.673 ( 1.364 11.412 1.614) 11.606 2.762 ( -6.195 9.457 3.111) 11.725 2.941 ( -1.431 11.529 5.329) 12.781 3.173 ( -11.549 7.190 5.615) 14.717 3.250 ( -8.408 -1.366 -0.024) 8.518 3.462 ( 0.375 4.603 -0.995) 4.725 3.648 ( -5.653 -3.071 1.098) 6.526 3.926 ( -1.883 2.670 -0.231) 3.275 4.010 ( -1.672 6.593 -4.550) 8.183 4.199 ( -3.048 2.703 1.312) 4.280 4.604 ( -2.094 -5.631 5.576) 8.197 5.106 ( 0.927 3.857 -7.118) 8.149 5.433 ( 11.304 -0.835 -1.778) 11.473 5.546 ( 3.371 -4.943 -6.255) 8.656 5.997 ( 6.555 -8.257 -6.132) 12.196 6.222 ( 1.970 0.943 -7.849) 8.147 6.481 ( 2.317 -3.136 7.472) 8.428 6.855 ( -1.980 21.794 -0.781) 21.897 7.393 ( 0.965 3.180 0.694) 3.395 7.444 ( 4.357 15.361 -0.154) 15.968 7.636 ( 3.265 1.212 3.551) 4.974 8.434 ( 0.038 2.105 2.553) 3.310 8.791 ( -3.108 -4.797 13.533) 14.691 10.098 ( 5.872 12.397 4.509) 14.439 10.601 ( -0.171 2.016 2.165) 2.963 10.920 ( -7.271 -7.086 -2.952) 10.573 11.371 ( 0.372 -3.918 3.922) 5.557 11.746 ( -5.022 0.856 -2.337) 5.605 12.073 ( 0.676 -1.282 -4.184) 4.428 12.097 ( 1.343 4.448 -2.776) 5.413 12.515 ( -0.710 -9.212 0.150) 9.241 12.903 ( 2.231 -7.627 2.025) 8.201 13.044 ( 7.902 -9.173 -0.679) 12.126 13.715 ( -0.794 0.732 -0.194) 1.097 13.881 ( 1.643 1.822 1.671) 2.968 13.930 ( 2.754 2.236 2.724) 4.473 14.415 ( -1.564 -9.118 -5.411) 10.717 22.975 ( 0.340 0.238 2.682) 2.714 23.310 ( -4.000 -5.184 17.233) 18.435 24.500 ( -6.561 -7.222 -7.385) 12.237 24.899 ( -7.765 -9.130 -6.455) 13.613 25.760 ( -0.895 21.751 0.094) 21.769 26.409 ( 15.159 15.781 -5.145) 22.479 28.620 ( -1.121 -2.364 -0.185) 2.623 28.876 ( 0.536 -7.052 -0.082) 7.073 ======================= Grid point 106 (51/185) ======================= q-point: (-0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -18.036 15.580 1.028) 23.855 1.700 ( -22.033 17.737 3.769) 28.535 2.036 ( 1.912 1.350 -1.094) 2.584 2.406 ( -27.512 23.496 6.984) 36.848 2.698 ( -1.740 5.146 4.506) 7.058 2.923 ( 1.017 10.717 0.550) 10.779 3.131 ( -0.757 2.033 5.933) 6.317 3.164 ( -4.194 0.237 2.602) 4.941 3.448 ( -0.845 5.946 -6.633) 8.948 3.576 ( -2.318 0.427 3.553) 4.263 3.852 ( -1.472 -2.943 -5.263) 6.207 4.063 ( 7.239 14.110 -2.042) 15.990 4.185 ( -1.540 1.143 4.122) 4.547 4.607 ( -0.529 -5.728 9.133) 10.794 5.088 ( 1.205 2.056 -5.846) 6.313 5.567 ( 2.908 -4.671 -6.005) 8.145 5.617 ( 8.795 -0.726 -1.359) 8.929 6.036 ( 0.532 -9.161 -6.133) 11.037 6.205 ( 1.538 0.061 -9.317) 9.443 6.567 ( 2.020 -4.161 6.442) 7.930 6.824 ( -0.702 21.552 -0.913) 21.583 7.423 ( 1.032 2.158 2.446) 3.422 7.522 ( 4.896 12.304 -2.993) 13.576 7.720 ( 3.450 2.026 3.965) 5.633 8.449 ( -0.203 1.595 3.617) 3.958 8.804 ( -3.441 -5.239 13.164) 14.580 10.229 ( 6.231 9.360 0.685) 11.266 10.606 ( -0.744 0.698 1.976) 2.224 10.803 ( -4.005 -2.052 0.249) 4.507 11.408 ( 0.581 -5.144 7.820) 9.379 11.611 ( -7.265 -2.830 -4.471) 8.988 12.049 ( -0.296 6.930 -3.753) 7.887 12.119 ( 1.896 2.562 -3.678) 4.867 12.507 ( -0.520 -9.654 1.110) 9.732 12.934 ( 0.675 -5.867 -1.122) 6.011 13.175 ( 6.558 -11.461 -0.650) 13.221 13.710 ( 0.333 0.643 -0.098) 0.731 13.916 ( 0.905 1.841 2.749) 3.430 14.003 ( 3.622 4.051 1.929) 5.766 14.353 ( -1.701 -5.432 -6.213) 8.427 23.005 ( 0.555 -1.788 4.998) 5.337 23.322 ( -5.855 -7.524 19.306) 21.532 24.355 ( -4.376 -7.191 -5.788) 10.216 24.691 ( -10.460 -11.371 -7.860) 17.335 25.791 ( 3.336 24.124 0.986) 24.374 26.643 ( 14.247 15.245 -7.488) 22.169 28.614 ( 0.658 -2.518 0.098) 2.605 28.862 ( -2.092 -6.258 -0.592) 6.625 ======================= Grid point 107 (52/185) ======================= q-point: (-0.11 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -18.196 18.960 4.975) 26.746 1.283 ( -21.773 17.001 9.238) 29.128 2.023 ( -7.674 20.631 7.131) 23.138 2.122 ( -4.300 13.269 6.469) 15.375 2.674 ( -2.867 2.286 3.479) 5.055 2.946 ( -1.400 -4.018 -0.749) 4.321 3.053 ( -2.309 11.855 -3.290) 12.518 3.162 ( -2.785 -0.221 8.050) 8.521 3.421 ( 2.635 6.746 -4.496) 8.524 3.607 ( 1.574 3.261 5.724) 6.773 3.842 ( 2.551 -3.878 -4.084) 6.182 4.113 ( -1.873 4.010 -2.384) 5.027 4.218 ( 4.652 11.360 -4.051) 12.927 4.734 ( 7.547 -7.262 13.255) 16.894 5.094 ( 2.481 0.611 -3.679) 4.479 5.569 ( 0.947 -3.380 -6.162) 7.092 5.738 ( 4.872 -1.143 -0.379) 5.018 5.945 ( -6.268 -5.443 -4.789) 9.584 6.177 ( 1.123 -0.453 -9.681) 9.756 6.611 ( -0.789 -5.214 6.859) 8.652 6.824 ( 1.234 19.604 -1.368) 19.690 7.441 ( -0.772 1.700 2.124) 2.828 7.581 ( 3.514 9.781 -3.990) 11.132 7.795 ( 2.169 2.032 4.461) 5.360 8.464 ( -0.756 0.522 4.931) 5.016 8.807 ( -3.893 -5.076 12.928) 14.424 10.304 ( 3.644 4.423 -6.449) 8.627 10.589 ( -2.183 -3.687 1.987) 4.723 10.798 ( 1.616 4.955 3.510) 6.284 11.407 ( -9.697 -4.741 6.338) 12.517 11.524 ( 3.617 -4.172 1.080) 5.626 12.033 ( 0.359 6.854 -1.855) 7.109 12.118 ( 1.205 8.014 -4.888) 9.464 12.505 ( -0.691 -10.296 1.807) 10.477 12.912 ( -1.030 -4.741 -5.524) 7.351 13.261 ( 3.355 -12.895 -1.455) 13.403 13.725 ( 0.974 0.064 0.816) 1.272 13.935 ( -1.003 -1.116 4.397) 4.646 14.087 ( 5.563 7.330 -1.140) 9.272 14.292 ( -1.660 0.044 -4.185) 4.502 23.040 ( -0.773 -4.568 7.609) 8.909 23.287 ( -9.459 -8.953 18.006) 22.223 24.319 ( 3.245 -7.620 -1.433) 8.405 24.461 ( -9.290 -10.471 -7.495) 15.879 25.866 ( 3.596 24.403 0.768) 24.679 26.830 ( 11.000 12.183 -10.683) 19.585 28.647 ( 2.731 -2.533 0.506) 3.760 28.794 ( -4.555 -4.203 -1.015) 6.280 ======================= Grid point 108 (53/185) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 2.884 22.754 9.150) 24.694 1.562 ( -0.305 19.386 8.735) 21.266 2.104 ( 0.286 -2.328 4.121) 4.741 2.502 ( 0.170 3.336 -2.834) 4.380 2.612 ( -0.549 7.076 4.493) 8.400 2.839 ( -3.999 7.782 11.529) 14.473 3.121 ( -1.786 -3.520 6.917) 7.964 3.303 ( 3.914 5.794 0.356) 7.001 3.617 ( -0.785 11.792 -1.854) 11.963 3.689 ( 3.499 -1.837 2.455) 4.652 3.783 ( 0.226 -4.279 -0.686) 4.340 4.089 ( -3.019 3.936 3.033) 5.815 4.360 ( -0.248 1.629 -4.943) 5.211 4.607 ( -4.368 -13.412 -1.171) 14.154 5.195 ( 2.731 6.485 -4.490) 8.347 5.517 ( 2.422 -3.487 -6.121) 7.449 5.776 ( 0.908 0.083 0.749) 1.180 5.854 ( 2.631 -1.029 -0.062) 2.825 6.154 ( 0.573 0.871 -5.309) 5.411 6.486 ( -2.125 -7.915 4.997) 9.598 7.241 ( 0.803 22.011 -0.518) 22.031 7.486 ( -1.817 5.144 0.786) 5.512 7.709 ( 2.359 -0.054 -3.526) 4.243 7.885 ( -1.527 3.915 2.948) 5.133 8.499 ( -2.488 3.338 6.472) 7.696 8.739 ( -2.970 -3.145 10.852) 11.683 10.359 ( 2.542 2.010 -4.526) 5.567 10.506 ( 0.898 -3.564 3.312) 4.948 10.944 ( -0.096 6.560 5.408) 8.502 11.292 ( -2.732 -2.078 6.315) 7.187 11.553 ( 2.773 1.171 0.414) 3.039 12.057 ( -0.891 -6.512 -3.551) 7.471 12.264 ( 0.426 6.858 -6.028) 9.140 12.365 ( -0.278 -0.601 1.962) 2.071 12.754 ( -1.588 -4.916 -9.329) 10.664 13.006 ( 0.065 -14.155 -3.683) 14.626 13.759 ( 0.250 1.840 0.717) 1.990 13.905 ( -0.564 -1.931 3.385) 3.938 14.245 ( -1.014 3.863 -0.525) 4.029 14.320 ( 1.998 1.002 0.824) 2.382 22.977 ( -3.141 -0.778 7.229) 7.921 23.124 ( -3.867 -3.897 7.211) 9.063 24.192 ( 0.022 -5.025 -2.591) 5.653 24.277 ( 7.130 -7.495 0.891) 10.383 26.342 ( -0.735 21.713 -0.414) 21.730 26.982 ( 0.062 1.213 -7.038) 7.142 28.643 ( -0.699 -2.775 0.224) 2.870 28.668 ( 0.499 -2.996 -0.274) 3.050 ======================= Grid point 109 (54/185) ======================= q-point: ( 0.11 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 13.863 13.463 10.840) 22.157 1.687 ( 13.873 19.608 9.431) 25.804 2.126 ( -0.362 -2.751 4.656) 5.420 2.548 ( 6.130 6.336 -2.147) 9.074 2.695 ( 6.380 1.747 1.669) 6.822 2.870 ( 1.616 14.873 12.751) 19.658 3.142 ( -0.342 -3.079 7.785) 8.379 3.393 ( 3.809 10.705 0.848) 11.394 3.581 ( -1.672 7.854 -0.187) 8.032 3.730 ( -0.159 -4.271 0.347) 4.288 3.810 ( 3.384 -1.873 1.051) 4.008 4.074 ( -0.333 1.249 3.089) 3.348 4.285 ( -4.150 3.811 -10.003) 11.480 4.460 ( -8.838 -8.834 4.300) 13.216 5.227 ( 3.249 4.262 -3.811) 6.576 5.502 ( -0.181 -4.577 -7.221) 8.551 5.766 ( -2.667 0.955 0.991) 3.001 5.921 ( 3.235 -2.228 -0.367) 3.945 6.143 ( 1.405 -0.383 -6.222) 6.390 6.470 ( -2.378 -8.344 4.631) 9.835 7.259 ( 1.333 22.294 -0.118) 22.334 7.454 ( -1.701 4.968 0.073) 5.252 7.723 ( 0.681 1.757 -1.842) 2.636 7.854 ( -3.078 2.070 1.205) 3.900 8.485 ( -2.817 3.549 6.423) 7.861 8.738 ( -3.763 -3.113 11.211) 12.228 10.361 ( -0.420 6.292 -3.810) 7.368 10.574 ( 3.914 -2.898 4.688) 6.760 10.951 ( -2.600 7.771 5.636) 9.945 11.293 ( -0.351 -0.418 5.075) 5.104 11.634 ( 5.058 -0.821 2.587) 5.740 12.009 ( -1.787 -8.191 -4.412) 9.473 12.248 ( 1.869 5.316 -7.045) 9.022 12.361 ( -1.451 -1.356 2.530) 3.216 12.663 ( -2.105 -5.706 -10.802) 12.397 12.960 ( -2.431 -13.357 -5.017) 14.474 13.763 ( -0.235 1.545 0.741) 1.729 13.916 ( -0.306 -2.105 2.891) 3.590 14.177 ( -5.866 4.325 0.961) 7.351 14.347 ( 0.175 -2.020 0.289) 2.048 22.966 ( -1.801 0.123 6.079) 6.341 23.108 ( -1.934 -3.463 6.290) 7.436 24.242 ( 6.081 -2.770 -0.336) 6.691 24.455 ( 10.829 -9.598 1.913) 14.596 26.287 ( -4.494 21.658 -0.848) 22.136 26.899 ( -4.625 2.256 -7.468) 9.069 28.605 ( -1.836 -1.884 0.110) 2.633 28.705 ( 1.963 -4.801 -0.332) 5.198 ======================= Grid point 110 (55/185) ======================= q-point: ( 0.22 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 6.993 9.701 8.490) 14.666 2.092 ( 9.983 3.196 7.433) 12.851 2.172 ( 8.781 7.705 6.868) 13.552 2.678 ( 8.188 8.467 0.099) 11.779 2.816 ( 5.715 -1.676 3.497) 6.907 3.058 ( 12.068 14.150 3.633) 18.949 3.181 ( -0.636 0.830 8.983) 9.044 3.392 ( -3.108 20.033 -1.385) 20.320 3.593 ( 1.469 0.073 2.894) 3.247 3.714 ( -1.134 0.880 2.671) 3.032 3.897 ( 5.618 0.216 -2.626) 6.205 4.074 ( -2.257 -0.949 1.214) 2.733 4.184 ( -0.065 -0.697 -1.889) 2.015 4.397 ( -0.295 -4.389 3.409) 5.565 5.264 ( 2.991 2.689 -4.198) 5.815 5.440 ( -2.119 -4.268 -7.715) 9.068 5.688 ( -6.102 1.937 -0.085) 6.402 5.932 ( -1.410 -4.244 -2.555) 5.150 6.131 ( 1.153 -0.105 -5.749) 5.865 6.449 ( -2.771 -7.871 4.457) 9.460 7.286 ( 1.580 22.313 0.028) 22.369 7.430 ( -0.976 4.644 0.318) 4.756 7.713 ( -1.341 3.112 0.338) 3.405 7.788 ( -4.212 2.756 -0.735) 5.087 8.469 ( -2.543 3.647 5.872) 7.365 8.725 ( -4.330 -3.278 11.413) 12.640 10.309 ( -2.879 11.621 -2.741) 12.282 10.662 ( 1.841 -1.221 4.523) 5.033 10.935 ( -1.052 4.339 5.107) 6.784 11.311 ( -1.596 -2.136 4.613) 5.328 11.751 ( 6.153 1.862 0.602) 6.457 11.966 ( -0.017 -8.329 -2.016) 8.569 12.253 ( 2.696 2.329 -7.608) 8.401 12.345 ( -1.845 -1.515 2.760) 3.649 12.578 ( -0.780 -8.105 -9.018) 12.150 12.868 ( -4.177 -11.886 -6.155) 14.021 13.760 ( -0.424 1.397 0.791) 1.660 13.920 ( -0.847 -1.792 2.166) 2.936 14.059 ( -7.396 4.062 1.312) 8.540 14.332 ( -1.571 -6.097 -0.080) 6.296 22.977 ( -0.353 0.757 4.356) 4.435 23.117 ( -1.255 -3.337 7.590) 8.385 24.387 ( 9.263 -1.511 -0.051) 9.386 24.664 ( 10.911 -9.640 0.698) 14.577 26.196 ( -4.323 21.020 -0.703) 21.471 26.744 ( -7.978 4.215 -6.808) 11.303 28.587 ( -0.285 -1.802 0.409) 1.870 28.725 ( 0.567 -5.880 -0.723) 5.951 ======================= Grid point 111 (56/185) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 4.751 4.574 5.460) 8.562 2.133 ( -1.091 -1.570 3.670) 4.138 2.450 ( 10.643 11.265 7.054) 17.028 2.824 ( 5.546 9.474 6.088) 12.553 2.939 ( 5.074 -1.906 2.957) 6.174 3.127 ( -5.598 7.027 4.544) 10.068 3.289 ( 3.759 11.120 -0.869) 11.770 3.336 ( 1.124 14.435 0.099) 14.479 3.577 ( -3.104 -0.540 0.183) 3.156 3.811 ( 7.013 6.446 3.529) 10.158 3.976 ( 6.736 4.740 0.377) 8.245 4.073 ( 0.774 -3.192 1.267) 3.521 4.210 ( 3.540 -4.296 -0.267) 5.573 4.478 ( 5.607 -2.203 1.402) 6.185 5.284 ( 1.471 1.529 -4.811) 5.258 5.351 ( -2.475 -0.740 -7.536) 7.966 5.557 ( -7.071 1.152 -2.223) 7.501 5.846 ( -5.300 -5.751 -4.355) 8.951 6.137 ( 2.335 0.952 -3.472) 4.291 6.417 ( -3.255 -6.615 4.437) 8.605 7.313 ( 1.221 22.034 0.172) 22.068 7.426 ( 0.299 4.202 0.894) 4.306 7.668 ( -5.113 -1.774 2.802) 6.095 7.714 ( -1.923 11.122 -2.763) 11.621 8.458 ( -1.786 3.417 4.953) 6.277 8.707 ( -4.368 -3.681 11.603) 12.933 10.245 ( -2.619 14.706 -0.891) 14.964 10.670 ( -2.459 2.245 3.102) 4.550 10.993 ( 3.871 -2.988 4.990) 6.987 11.262 ( -5.737 -5.013 2.003) 7.878 11.830 ( 3.195 3.982 -2.730) 5.789 12.009 ( 3.843 -4.486 2.161) 6.290 12.247 ( 0.908 1.581 -8.691) 8.880 12.329 ( -0.921 -4.592 2.361) 5.245 12.557 ( 2.298 -10.452 -3.625) 11.299 12.758 ( -3.605 -9.608 -6.554) 12.176 13.762 ( 0.184 1.500 1.080) 1.857 13.905 ( -2.618 -0.342 2.004) 3.314 13.942 ( -5.180 2.618 0.917) 5.876 14.299 ( -1.623 -9.692 -0.874) 9.866 22.992 ( -0.290 1.249 3.028) 3.288 23.143 ( -1.117 -3.437 9.734) 10.383 24.544 ( 7.678 -0.853 -1.724) 7.915 24.839 ( 8.064 -8.753 -1.506) 11.996 26.146 ( -0.629 18.830 0.022) 18.840 26.552 ( -8.924 7.359 -5.821) 12.949 28.595 ( 0.682 -2.185 0.479) 2.339 28.721 ( -0.390 -6.187 -0.746) 6.244 ======================= Grid point 112 (57/185) ======================= q-point: ( 0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.607 2.023 2.104) 2.981 2.121 ( -2.245 -0.022 2.581) 3.421 2.616 ( 3.212 7.218 4.482) 9.082 2.930 ( 2.240 10.110 7.009) 12.505 3.003 ( 0.212 1.012 2.100) 2.341 3.022 ( -7.120 13.238 4.307) 15.636 3.270 ( -1.317 13.860 3.089) 14.262 3.397 ( 2.602 3.549 -1.545) 4.664 3.543 ( -1.261 0.926 1.161) 1.948 3.870 ( 0.346 2.123 -0.754) 2.279 4.058 ( -0.259 -1.600 2.344) 2.850 4.193 ( 8.581 7.290 0.045) 11.259 4.308 ( 4.829 -6.024 0.494) 7.736 4.517 ( -1.364 0.876 -3.203) 3.590 5.240 ( -1.172 1.323 -5.872) 6.132 5.314 ( 0.994 5.525 -5.262) 7.695 5.444 ( -2.357 -2.633 -4.932) 6.067 5.743 ( -1.952 -6.895 -3.883) 8.150 6.175 ( 3.326 0.887 -2.174) 4.071 6.383 ( -3.220 -5.067 4.927) 7.767 7.326 ( -0.015 21.494 0.127) 21.494 7.448 ( 0.939 3.721 1.237) 4.032 7.589 ( -3.533 -0.525 1.838) 4.017 7.685 ( -0.356 13.197 -1.277) 13.263 8.458 ( -0.914 3.028 4.213) 5.269 8.694 ( -4.000 -4.232 11.814) 13.171 10.217 ( -0.349 15.156 1.105) 15.201 10.638 ( -2.116 2.259 2.249) 3.826 11.066 ( -1.440 -5.834 -0.347) 6.019 11.172 ( -1.732 -6.516 3.938) 7.808 11.860 ( 1.789 3.522 -1.899) 4.383 12.059 ( -0.588 -1.810 -0.666) 2.016 12.204 ( 0.578 2.072 -7.393) 7.700 12.352 ( 1.717 -6.305 2.694) 7.069 12.585 ( 0.764 -13.633 -1.344) 13.720 12.711 ( 2.923 -5.776 -3.814) 7.514 13.784 ( 1.583 1.839 1.516) 2.861 13.831 ( -4.360 2.225 1.085) 5.013 13.911 ( -0.747 -0.010 1.595) 1.761 14.268 ( -0.877 -11.638 -1.913) 11.827 22.998 ( -0.743 1.888 2.772) 3.435 23.177 ( -1.603 -3.822 11.462) 12.189 24.619 ( 2.030 -0.632 -4.562) 5.033 24.922 ( 2.400 -8.390 -4.001) 9.600 26.168 ( 1.628 15.510 0.662) 15.609 26.398 ( -3.163 11.626 -4.195) 12.758 28.608 ( 0.280 -2.429 0.297) 2.463 28.712 ( -0.027 -6.240 -0.419) 6.254 ======================= Grid point 113 (58/185) ======================= q-point: (-0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -3.811 2.297 0.572) 4.487 2.072 ( -3.751 2.183 1.927) 4.749 2.571 ( -9.389 8.480 1.908) 12.794 2.916 ( -6.016 10.841 5.404) 13.525 2.983 ( -3.355 0.302 1.630) 3.742 3.036 ( 4.477 12.291 6.152) 14.455 3.295 ( 1.232 11.505 2.541) 11.847 3.433 ( 1.900 3.238 0.922) 3.866 3.517 ( -2.330 0.957 0.831) 2.653 3.847 ( -3.294 1.746 -1.413) 3.987 4.050 ( -5.433 1.231 0.755) 5.622 4.153 ( -8.357 7.139 -2.256) 11.220 4.304 ( -2.267 -2.980 0.260) 3.754 4.503 ( 0.211 -3.432 -2.187) 4.075 5.220 ( 1.906 3.148 -6.795) 7.727 5.321 ( 3.810 4.821 -3.954) 7.307 5.427 ( 3.266 -3.305 -5.765) 7.404 5.760 ( 5.427 -7.516 -4.145) 10.155 6.223 ( 2.905 0.657 -2.565) 3.930 6.364 ( -1.756 -4.111 6.523) 7.908 7.311 ( -1.406 20.732 -0.480) 20.785 7.457 ( -0.007 3.760 0.470) 3.790 7.585 ( 0.947 0.543 2.997) 3.190 7.691 ( 1.948 13.549 -0.913) 13.719 8.469 ( -0.401 2.861 4.059) 4.982 8.690 ( -3.336 -4.650 11.796) 13.111 10.244 ( 2.143 13.107 1.891) 13.414 10.625 ( -0.736 1.278 1.870) 2.381 10.948 ( -6.749 -4.708 -2.990) 8.755 11.234 ( 2.483 -6.472 4.316) 8.166 11.871 ( -0.422 3.269 -1.983) 3.847 11.986 ( -3.503 -3.926 -3.827) 6.506 12.209 ( 2.255 1.385 -2.832) 3.876 12.390 ( 0.808 -1.415 0.387) 1.675 12.604 ( 2.969 -14.829 0.310) 15.126 12.791 ( 5.845 -6.058 -1.036) 8.481 13.770 ( -2.261 2.482 0.203) 3.364 13.843 ( 2.893 1.365 2.231) 3.900 13.920 ( 0.873 0.608 2.058) 2.317 14.248 ( 0.033 -11.310 -2.838) 11.661 22.997 ( -1.079 2.317 3.434) 4.281 23.203 ( -2.628 -4.301 12.545) 13.520 24.565 ( -4.195 -0.984 -7.135) 8.335 24.876 ( -4.380 -9.049 -6.236) 11.830 26.163 ( -1.277 17.010 0.231) 17.060 26.450 ( 9.287 11.134 -1.743) 14.604 28.601 ( -1.039 -2.090 -0.063) 2.335 28.723 ( 1.206 -6.396 0.098) 6.509 ======================= Grid point 114 (59/185) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -10.728 7.847 1.647) 13.393 2.044 ( -0.819 1.923 1.214) 2.417 2.341 ( -16.551 11.787 1.599) 20.382 2.837 ( -6.407 5.347 3.634) 9.102 2.916 ( -4.427 1.032 3.051) 5.475 3.127 ( 0.073 4.295 6.473) 7.768 3.320 ( -0.644 12.646 1.241) 12.723 3.376 ( -11.360 13.213 0.307) 17.428 3.520 ( 2.513 0.849 -1.247) 2.932 3.648 ( -10.487 3.818 -0.795) 11.189 3.909 ( -4.937 -1.771 -3.724) 6.432 4.143 ( 2.883 5.034 0.595) 5.832 4.222 ( -4.894 -0.665 1.345) 5.119 4.482 ( -1.914 -7.139 3.065) 8.002 5.204 ( 0.783 5.388 -7.735) 9.459 5.406 ( 6.231 -2.911 -4.402) 8.165 5.495 ( 7.284 1.147 -4.343) 8.558 5.845 ( 5.679 -7.573 -5.643) 11.021 6.235 ( 0.371 0.710 -3.754) 3.838 6.401 ( 1.290 -4.715 7.621) 9.054 7.279 ( -1.416 20.176 -1.252) 20.264 7.469 ( 0.757 5.636 1.426) 5.863 7.620 ( 1.631 0.542 0.436) 1.773 7.747 ( 3.797 11.197 1.206) 11.884 8.485 ( -0.519 3.042 4.551) 5.499 8.699 ( -2.622 -4.644 11.392) 12.578 10.301 ( 2.995 8.403 0.433) 8.931 10.611 ( -2.265 -2.427 0.092) 3.321 10.847 ( -2.356 1.532 -0.073) 2.811 11.279 ( 0.439 -5.869 3.302) 6.749 11.768 ( -7.218 1.694 -4.833) 8.850 11.983 ( 3.044 -4.385 -0.217) 5.343 12.241 ( 2.488 2.515 -1.472) 3.832 12.386 ( -0.735 0.633 -1.164) 1.516 12.691 ( 5.157 -13.378 1.750) 14.444 12.887 ( 5.195 -7.554 -1.703) 9.325 13.744 ( -0.729 2.411 -0.178) 2.525 13.896 ( 1.217 -0.007 2.203) 2.517 13.978 ( 4.216 2.319 2.696) 5.515 14.242 ( 1.394 -8.512 -3.477) 9.300 22.997 ( -1.329 2.074 4.523) 5.150 23.214 ( -3.853 -4.815 13.133) 14.509 24.414 ( -7.161 -1.773 -7.862) 10.781 24.711 ( -9.160 -9.954 -7.651) 15.541 26.172 ( 2.091 20.507 0.918) 20.634 26.644 ( 11.972 7.876 -1.852) 14.449 28.581 ( -0.846 -1.418 -0.127) 1.656 28.745 ( 0.818 -6.421 0.280) 6.479 ======================= Grid point 115 (60/185) ======================= q-point: (-0.22 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -11.823 14.516 2.595) 18.901 1.983 ( -22.843 13.821 3.155) 26.885 2.052 ( -0.405 0.388 1.191) 1.316 2.703 ( -8.561 1.294 -0.173) 8.660 2.878 ( -3.334 2.665 7.486) 8.617 2.959 ( -18.904 12.266 1.246) 22.569 3.172 ( -5.327 0.467 8.154) 9.752 3.351 ( -0.689 13.491 -2.829) 13.801 3.541 ( 2.129 3.417 -0.858) 4.116 3.599 ( 0.849 3.524 -0.974) 3.753 3.799 ( -2.824 -2.187 -3.198) 4.794 4.176 ( -2.561 0.576 4.372) 5.100 4.253 ( 8.050 3.033 -0.674) 8.629 4.480 ( -0.206 -7.547 5.501) 9.342 5.178 ( 1.141 6.525 -7.204) 9.786 5.472 ( 4.264 -4.822 -5.945) 8.762 5.620 ( 7.505 1.241 -2.102) 7.892 5.883 ( 1.721 -6.857 -5.584) 9.009 6.211 ( -0.314 0.948 -4.506) 4.616 6.464 ( 0.671 -6.196 6.792) 9.218 7.251 ( -0.794 20.940 -1.395) 21.002 7.493 ( 0.444 5.976 2.594) 6.530 7.650 ( 2.478 0.087 -2.977) 3.874 7.823 ( 2.880 8.287 3.168) 9.328 8.498 ( -1.038 3.277 5.396) 6.398 8.715 ( -2.289 -4.134 10.846) 11.831 10.342 ( 2.014 3.271 -2.908) 4.818 10.545 ( -3.751 -5.466 -0.696) 6.666 10.860 ( 1.591 6.539 3.189) 7.447 11.298 ( -0.688 -6.467 5.256) 8.361 11.618 ( -5.722 3.283 -4.364) 7.909 12.042 ( 2.898 -4.994 -0.225) 5.778 12.278 ( 2.289 6.530 -1.603) 7.103 12.361 ( -1.064 -0.794 -1.026) 1.678 12.781 ( 3.712 -10.042 -0.358) 10.712 12.957 ( 3.960 -10.367 -2.824) 11.452 13.739 ( 0.214 2.397 -0.097) 2.409 13.912 ( -0.782 -1.516 2.695) 3.189 14.085 ( 5.818 3.801 2.036) 7.242 14.263 ( 2.647 -4.000 -3.098) 5.710 22.997 ( -1.732 0.996 5.646) 5.989 23.203 ( -5.137 -5.283 12.851) 14.814 24.257 ( -5.065 -2.904 -6.068) 8.421 24.487 ( -10.198 -9.767 -7.766) 16.115 26.239 ( 4.269 22.102 0.970) 22.532 26.837 ( 10.257 4.903 -3.160) 11.799 28.577 ( 0.615 -1.056 0.138) 1.230 28.746 ( -0.922 -5.791 0.050) 5.864 ======================= Grid point 116 (61/185) ======================= q-point: (-0.11 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -16.098 20.434 3.499) 26.247 1.621 ( -13.117 17.576 6.647) 22.916 2.074 ( 0.776 -0.936 2.917) 3.161 2.564 ( -5.632 5.115 -0.894) 7.661 2.694 ( -10.724 5.989 2.938) 12.630 2.860 ( -4.271 4.520 10.309) 12.039 3.133 ( -3.629 -2.649 7.008) 8.324 3.289 ( -1.876 7.290 -2.811) 8.035 3.602 ( 4.349 8.656 -1.253) 9.768 3.621 ( 1.441 2.394 0.547) 2.847 3.780 ( 0.521 -2.472 -0.654) 2.609 4.138 ( -4.018 2.236 3.956) 6.066 4.358 ( 3.257 1.528 -3.077) 4.734 4.567 ( 6.122 -11.094 3.265) 13.085 5.175 ( 2.345 7.225 -5.745) 9.524 5.501 ( 2.790 -3.602 -6.191) 7.687 5.725 ( 4.620 -0.036 -0.448) 4.642 5.857 ( -1.137 -3.905 -3.368) 5.280 6.179 ( -0.275 1.175 -4.898) 5.045 6.490 ( -1.343 -7.155 5.747) 9.275 7.237 ( 0.021 21.687 -1.039) 21.712 7.504 ( -0.887 5.508 2.258) 6.018 7.680 ( 3.003 -0.560 -4.350) 5.316 7.875 ( 0.635 6.055 3.774) 7.163 8.504 ( -1.751 3.310 6.129) 7.183 8.730 ( -2.442 -3.495 10.614) 11.438 10.347 ( 1.523 1.052 -5.210) 5.529 10.499 ( -1.454 -4.976 1.575) 5.418 10.907 ( 1.194 6.310 4.163) 7.653 11.306 ( -2.562 -6.444 7.803) 10.439 11.537 ( -0.645 4.889 -3.049) 5.798 12.072 ( 0.901 -5.468 -1.783) 5.822 12.289 ( 0.384 9.316 -4.351) 10.289 12.353 ( 0.318 -2.251 1.178) 2.560 12.806 ( 0.623 -6.253 -5.268) 8.200 13.000 ( 2.376 -13.441 -2.949) 13.964 13.748 ( 0.573 2.196 0.410) 2.306 13.905 ( -1.358 -1.933 3.141) 3.930 14.197 ( 5.313 4.278 0.427) 6.835 14.293 ( 1.611 -0.140 -1.124) 1.969 22.992 ( -2.516 -0.413 6.708) 7.176 23.166 ( -5.708 -4.982 10.554) 12.992 24.193 ( 0.846 -4.948 -2.445) 5.584 24.289 ( -6.623 -7.592 -5.842) 11.646 26.316 ( 3.304 22.109 0.331) 22.357 26.963 ( 5.761 2.217 -5.168) 8.051 28.605 ( 2.197 -1.564 0.429) 2.731 28.712 ( -2.637 -4.303 -0.325) 5.057 ======================= Grid point 117 (62/185) ======================= q-point: ( 0.00 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.884 20.652 4.674) 21.193 1.889 ( 0.509 15.429 6.863) 16.895 2.022 ( -1.032 -6.981 4.708) 8.483 2.234 ( 1.655 -18.993 1.225) 19.105 2.833 ( -0.562 9.444 1.992) 9.668 3.002 ( -0.371 -7.253 4.929) 8.777 3.132 ( -1.457 15.704 10.429) 18.907 3.329 ( 3.421 -3.292 3.296) 5.780 3.597 ( 0.506 -2.604 2.033) 3.342 3.639 ( -2.728 -6.444 4.412) 8.273 3.971 ( 0.763 17.898 -5.876) 18.853 4.208 ( -2.309 7.090 2.561) 7.884 4.298 ( -0.112 -12.755 -6.842) 14.475 4.337 ( -2.000 -8.773 2.986) 9.480 5.329 ( 1.960 6.637 -6.948) 9.806 5.438 ( 1.691 -4.812 -6.924) 8.600 5.792 ( 1.839 1.502 0.676) 2.469 5.826 ( 2.674 -1.800 0.403) 3.249 6.208 ( -1.047 4.934 -1.263) 5.200 6.333 ( -1.850 -7.677 2.225) 8.205 7.528 ( 1.542 7.066 -2.667) 7.709 7.636 ( 1.177 -3.525 -3.020) 4.789 7.705 ( -1.473 14.289 2.722) 14.620 7.906 ( -1.692 -4.128 1.013) 4.574 8.580 ( -2.725 4.740 8.173) 9.834 8.669 ( -2.775 -4.320 9.633) 10.916 10.395 ( 3.001 2.000 -0.684) 3.671 10.442 ( 2.322 -2.938 1.893) 4.196 11.077 ( 0.515 7.002 6.965) 9.890 11.204 ( -0.083 -6.093 7.641) 9.773 11.651 ( 0.091 8.196 -2.073) 8.455 11.850 ( -1.148 -12.076 -2.437) 12.373 12.381 ( -1.842 5.344 -5.617) 7.968 12.422 ( 0.209 2.288 -1.988) 3.038 12.682 ( -0.975 -1.023 -8.222) 8.342 12.770 ( 0.572 -9.571 -4.705) 10.680 13.807 ( -0.021 2.877 0.738) 2.970 13.861 ( -0.269 -2.668 1.641) 3.144 14.301 ( -0.649 2.076 0.835) 2.330 14.325 ( 0.447 -0.506 1.350) 1.509 22.993 ( -2.569 2.151 5.803) 6.701 23.050 ( -2.938 -3.612 6.074) 7.653 24.137 ( 2.420 -0.664 -1.229) 2.794 24.167 ( 4.591 -3.804 -0.196) 5.966 26.706 ( -0.688 15.735 -1.698) 15.841 26.927 ( -0.528 -7.219 -3.800) 8.175 28.608 ( -0.331 -0.673 0.041) 0.751 28.620 ( -0.197 -1.813 -0.204) 1.835 ======================= Grid point 118 (63/185) ======================= q-point: ( 0.11 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 4.202 10.912 6.009) 13.147 2.018 ( 3.901 3.769 4.990) 7.370 2.074 ( 10.530 8.348 7.332) 15.308 2.377 ( 11.718 -14.972 2.837) 19.223 2.858 ( 1.473 9.788 3.701) 10.568 3.033 ( 0.513 -7.809 6.053) 9.893 3.221 ( 5.232 17.824 7.759) 20.131 3.469 ( 9.091 -3.150 3.575) 10.265 3.586 ( -2.006 -4.260 0.545) 4.740 3.652 ( 0.809 -5.351 7.389) 9.159 3.931 ( -0.849 14.903 -6.316) 16.208 4.168 ( -2.222 3.625 -1.481) 4.502 4.212 ( -5.233 -7.920 -3.977) 10.291 4.310 ( -2.664 -6.172 3.315) 7.495 5.322 ( 1.423 5.038 -6.455) 8.311 5.414 ( -0.013 -4.658 -7.193) 8.569 5.806 ( -1.096 3.010 0.788) 3.299 5.869 ( 1.008 -3.244 0.245) 3.405 6.187 ( -0.362 4.880 -1.773) 5.205 6.313 ( -1.473 -7.824 1.802) 8.163 7.535 ( 0.389 6.314 -1.723) 6.556 7.629 ( 0.051 1.847 -2.788) 3.345 7.703 ( -0.693 8.652 2.636) 9.071 7.875 ( -1.582 -3.303 -0.625) 3.715 8.569 ( -3.268 4.922 8.220) 10.123 8.663 ( -3.590 -4.647 9.823) 11.444 10.451 ( 2.560 3.642 0.992) 4.561 10.514 ( 3.609 -3.141 3.851) 6.142 11.111 ( -1.851 8.197 7.379) 11.183 11.241 ( -0.918 -4.986 7.693) 9.213 11.671 ( 3.697 4.840 -1.074) 6.184 11.818 ( -0.067 -10.080 -3.588) 10.699 12.311 ( -2.290 4.451 -5.696) 7.583 12.400 ( -0.649 -1.720 -3.757) 4.182 12.600 ( -2.670 2.496 -8.742) 9.476 12.736 ( -1.143 -9.827 -6.183) 11.666 13.807 ( -0.325 2.873 0.672) 2.968 13.865 ( -0.215 -3.027 1.402) 3.343 14.250 ( -5.222 3.351 1.317) 6.343 14.306 ( -3.293 -2.461 1.139) 4.266 22.989 ( -1.113 2.132 5.107) 5.645 23.042 ( -1.401 -3.289 5.447) 6.516 24.230 ( 7.717 1.607 0.677) 7.912 24.304 ( 9.444 -6.028 1.427) 11.295 26.647 ( -4.260 15.427 -2.316) 16.171 26.860 ( -4.189 -6.591 -4.572) 9.049 28.590 ( -0.913 0.508 -0.166) 1.058 28.626 ( 0.458 -3.216 -0.346) 3.267 ======================= Grid point 119 (64/185) ======================= q-point: ( 0.22 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 3.064 5.979 5.494) 8.679 2.063 ( 0.790 -3.598 4.039) 5.466 2.401 ( 15.536 13.062 7.722) 21.717 2.629 ( 12.452 -9.862 3.747) 16.320 2.924 ( 2.743 9.579 6.314) 11.796 3.086 ( 1.264 -6.530 7.075) 9.711 3.357 ( 6.323 12.764 -0.527) 14.254 3.553 ( -1.423 -5.252 -0.433) 5.459 3.666 ( 7.974 2.292 5.911) 10.187 3.722 ( 3.509 3.070 1.954) 5.055 3.920 ( 3.342 5.876 -1.351) 6.893 4.093 ( -3.142 -7.062 -4.294) 8.842 4.142 ( -1.074 6.483 1.572) 6.757 4.293 ( -0.068 -7.050 3.116) 7.708 5.314 ( 1.558 2.572 -6.409) 7.079 5.368 ( -0.502 -3.184 -7.395) 8.067 5.753 ( -4.896 4.485 -0.465) 6.656 5.845 ( -3.354 -4.873 -1.633) 6.137 6.178 ( 0.318 4.813 -1.220) 4.975 6.299 ( -1.187 -7.440 2.003) 7.796 7.525 ( -0.728 5.595 -0.389) 5.656 7.615 ( -0.104 0.722 -2.172) 2.291 7.698 ( -1.352 9.179 2.444) 9.595 7.848 ( -0.754 -1.639 -1.458) 2.320 8.552 ( -3.381 4.796 7.841) 9.793 8.646 ( -4.057 -4.820 9.708) 11.573 10.488 ( 0.686 7.250 1.584) 7.452 10.598 ( 2.772 -4.596 4.576) 7.053 11.076 ( -5.038 8.925 4.699) 11.275 11.231 ( -4.383 -6.411 5.027) 9.252 11.778 ( 7.471 1.176 0.654) 7.591 11.831 ( 3.506 -5.133 -1.568) 6.410 12.243 ( -2.163 2.962 -4.253) 5.616 12.368 ( -0.542 -7.597 -3.926) 8.568 12.503 ( -2.619 6.854 -8.028) 10.876 12.668 ( -2.149 -9.337 -7.371) 12.088 13.804 ( -0.299 3.032 0.622) 3.110 13.868 ( -0.212 -3.350 1.044) 3.515 14.140 ( -7.324 4.404 1.363) 8.654 14.229 ( -5.421 -4.924 0.883) 7.377 23.005 ( -0.241 2.127 4.796) 5.252 23.055 ( -0.681 -3.054 6.033) 6.797 24.402 ( 10.108 3.031 0.589) 10.569 24.500 ( 10.873 -7.128 0.853) 13.029 26.544 ( -5.196 14.691 -2.260) 15.746 26.738 ( -6.257 -5.242 -4.475) 9.309 28.578 ( -0.288 1.046 -0.104) 1.090 28.628 ( -0.006 -4.057 -0.489) 4.086 ======================= Grid point 120 (65/185) ======================= q-point: ( 0.33 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 1.929 2.933 3.890) 5.240 2.094 ( 0.353 -2.381 3.325) 4.105 2.652 ( 7.902 10.100 5.939) 14.133 2.828 ( 6.546 -7.728 4.248) 10.982 3.015 ( 2.646 8.489 7.808) 11.833 3.138 ( -0.348 -3.874 7.616) 8.552 3.433 ( 2.672 6.557 -0.937) 7.142 3.522 ( -2.418 -1.185 1.425) 3.047 3.700 ( -0.473 11.885 -2.329) 12.121 3.846 ( 3.807 -3.014 -0.813) 4.923 3.994 ( 3.525 1.417 -0.003) 3.799 4.078 ( 3.303 -4.860 -2.045) 6.222 4.198 ( 7.649 9.048 2.562) 12.122 4.381 ( 7.357 -7.986 2.506) 11.144 5.303 ( 0.555 1.002 -6.379) 6.481 5.328 ( 1.135 -1.512 -7.472) 7.707 5.630 ( -7.508 5.413 -1.968) 9.463 5.738 ( -6.528 -5.682 -3.158) 9.213 6.186 ( 0.914 4.218 -0.033) 4.316 6.290 ( -1.161 -6.385 2.571) 6.981 7.511 ( -0.697 4.616 0.590) 4.706 7.595 ( -1.707 -3.314 0.067) 3.728 7.686 ( -0.580 13.705 0.605) 13.731 7.832 ( -0.230 -0.350 -1.284) 1.351 8.534 ( -2.967 4.389 7.157) 8.904 8.624 ( -3.985 -4.830 9.417) 11.308 10.497 ( -0.513 11.000 1.566) 11.122 10.650 ( 0.157 -4.762 3.901) 6.158 11.013 ( -3.287 4.991 3.100) 6.732 11.142 ( -6.787 -7.248 1.823) 10.095 11.883 ( 4.261 2.250 -1.333) 5.000 11.944 ( 6.867 -3.539 1.876) 7.949 12.191 ( -1.529 1.773 -2.256) 3.251 12.327 ( -1.921 -10.164 -4.272) 11.191 12.445 ( 0.634 7.295 -4.724) 8.714 12.596 ( -0.771 -7.944 -7.080) 10.669 13.808 ( 0.413 3.161 0.838) 3.297 13.870 ( -0.086 -2.972 1.020) 3.143 14.016 ( -6.721 5.017 1.070) 8.455 14.134 ( -4.983 -7.427 0.282) 8.948 23.026 ( -0.338 2.336 4.950) 5.484 23.079 ( -0.682 -3.127 7.296) 7.967 24.572 ( 8.058 3.689 -1.379) 8.969 24.680 ( 8.334 -7.348 -1.303) 11.187 26.455 ( -3.127 12.611 -1.471) 13.076 26.603 ( -5.660 -2.511 -3.637) 7.181 28.577 ( 0.177 0.630 -0.019) 0.655 28.622 ( -0.320 -3.971 -0.412) 4.005 ======================= Grid point 121 (66/185) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -0.072 1.659 2.432) 2.945 2.107 ( -0.801 -1.299 2.560) 2.980 2.760 ( 1.040 7.942 4.349) 9.114 2.908 ( 0.217 -7.092 4.062) 8.175 3.088 ( 0.502 6.124 7.200) 9.465 3.148 ( -2.773 0.580 7.284) 7.815 3.451 ( -0.188 4.145 1.105) 4.294 3.489 ( -1.742 1.265 1.752) 2.776 3.676 ( -0.880 12.167 -2.306) 12.415 3.843 ( -1.298 -4.850 -1.758) 5.320 4.061 ( 3.606 2.150 0.527) 4.231 4.147 ( 4.578 -6.477 -0.039) 7.932 4.371 ( 6.219 7.418 -1.494) 9.795 4.486 ( 1.962 -4.101 -2.878) 5.381 5.275 ( 0.594 2.296 -6.148) 6.590 5.322 ( 1.890 -2.513 -6.992) 7.667 5.499 ( -3.940 5.977 -2.957) 7.745 5.617 ( -3.185 -6.337 -3.443) 7.884 6.210 ( 1.396 2.984 1.182) 3.500 6.286 ( -1.055 -4.750 3.494) 5.990 7.509 ( -0.025 3.048 0.926) 3.185 7.557 ( -2.527 -1.796 1.364) 3.387 7.689 ( 0.761 13.794 -0.229) 13.817 7.825 ( 0.242 0.367 -0.923) 1.022 8.524 ( -2.111 3.842 6.547) 7.879 8.606 ( -3.364 -4.677 9.164) 10.824 10.489 ( -1.109 12.329 1.059) 12.424 10.645 ( -2.188 -3.136 2.194) 4.409 10.992 ( -2.285 -0.776 0.612) 2.490 11.049 ( -2.310 -5.765 3.072) 6.929 11.928 ( 1.503 4.145 -1.915) 4.807 12.018 ( 0.233 -4.135 -2.671) 4.928 12.167 ( -0.162 1.048 -0.429) 1.144 12.287 ( 0.790 -8.916 -1.861) 9.142 12.458 ( 2.236 5.100 -2.412) 6.069 12.590 ( 3.468 -7.016 -3.660) 8.640 13.831 ( 1.500 2.717 1.367) 3.391 13.871 ( -0.980 -0.465 0.974) 1.458 13.925 ( -3.099 4.239 1.012) 5.348 14.064 ( -2.392 -9.403 -0.601) 9.721 23.043 ( -0.930 2.864 5.581) 6.341 23.105 ( -1.245 -3.550 8.562) 9.352 24.652 ( 2.056 3.981 -4.421) 6.294 24.765 ( 2.229 -7.492 -4.227) 8.886 26.423 ( 0.049 10.060 -0.318) 10.065 26.519 ( -1.078 0.601 -2.093) 2.430 28.582 ( 0.207 0.010 0.032) 0.210 28.616 ( -0.041 -3.551 -0.190) 3.557 ======================= Grid point 122 (67/185) ======================= q-point: (-0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -2.397 1.819 2.066) 3.650 2.090 ( -2.401 -0.286 2.311) 3.345 2.731 ( -6.536 8.493 2.827) 11.083 2.887 ( -4.737 -7.453 2.926) 9.303 3.078 ( -5.319 6.283 6.568) 10.531 3.144 ( -2.262 0.035 7.169) 7.517 3.464 ( 0.862 2.819 1.721) 3.414 3.485 ( 0.583 1.063 1.873) 2.231 3.650 ( 0.061 11.666 -3.198) 12.096 3.815 ( -0.690 -5.050 -2.496) 5.676 4.109 ( -1.046 4.502 1.852) 4.979 4.207 ( -0.367 -5.144 1.640) 5.411 4.298 ( -8.906 6.903 -3.655) 11.846 4.423 ( -5.738 -5.445 -5.013) 9.365 5.269 ( 2.558 2.527 -6.239) 7.201 5.321 ( 2.384 -2.874 -6.754) 7.718 5.486 ( 4.175 6.848 -3.657) 8.814 5.620 ( 5.031 -7.122 -3.928) 9.564 6.244 ( 1.169 1.693 1.632) 2.626 6.291 ( -0.691 -3.265 4.746) 5.802 7.507 ( -0.922 2.809 0.371) 2.979 7.539 ( 0.476 0.037 0.503) 0.693 7.707 ( 0.779 12.367 0.973) 12.429 7.834 ( 1.169 0.453 -0.243) 1.277 8.529 ( -1.197 3.418 6.378) 7.334 8.603 ( -2.385 -4.338 9.056) 10.321 10.465 ( -1.716 9.584 -0.494) 9.749 10.602 ( -3.316 -4.421 -0.144) 5.528 10.945 ( -1.125 4.886 0.701) 5.063 11.088 ( 2.313 -8.467 3.709) 9.529 11.919 ( -0.929 1.317 -2.546) 3.013 11.940 ( -4.915 -1.192 -5.206) 7.258 12.186 ( 2.176 1.873 0.939) 3.021 12.333 ( 3.691 -12.106 0.713) 12.676 12.499 ( 3.559 8.514 -1.676) 9.378 12.659 ( 4.917 -7.781 -1.395) 9.310 13.833 ( -2.213 3.447 0.609) 4.141 13.869 ( 0.746 0.302 1.050) 1.323 13.934 ( 2.702 2.470 1.915) 4.131 14.050 ( 1.547 -8.872 -1.096) 9.073 23.052 ( -1.667 3.363 6.399) 7.418 23.123 ( -2.178 -4.017 9.488) 10.531 24.595 ( -4.667 3.959 -7.115) 9.385 24.710 ( -4.795 -7.766 -6.806) 11.385 26.443 ( 2.233 11.194 0.428) 11.423 26.558 ( 5.609 -0.280 -0.367) 5.628 28.582 ( -0.191 0.393 -0.004) 0.437 28.622 ( 0.737 -3.852 0.102) 3.923 ======================= Grid point 123 (68/185) ======================= q-point: (-0.33 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -5.336 4.407 2.974) 7.532 2.057 ( -2.476 -0.745 2.720) 3.753 2.558 ( -13.684 11.256 1.597) 17.790 2.762 ( -10.201 -9.460 1.199) 13.964 3.007 ( -5.731 6.882 5.694) 10.613 3.117 ( -4.608 -3.959 6.258) 8.722 3.492 ( 0.753 4.037 3.068) 5.126 3.518 ( 0.265 1.116 0.726) 1.357 3.630 ( -3.050 8.166 -3.664) 9.455 3.735 ( -7.514 0.062 -3.417) 8.255 3.942 ( -8.790 9.180 -3.513) 13.187 4.141 ( -4.176 -7.500 -2.104) 8.838 4.231 ( -0.511 4.235 3.739) 5.673 4.340 ( -1.360 -7.042 2.586) 7.624 5.286 ( 2.744 3.268 -6.658) 7.908 5.344 ( 3.860 -3.082 -5.960) 7.741 5.575 ( 7.039 6.236 -4.500) 10.425 5.706 ( 6.090 -7.104 -5.378) 10.793 6.259 ( -0.272 2.041 1.226) 2.396 6.316 ( 0.199 -3.881 5.509) 6.742 7.495 ( 0.035 4.994 -0.941) 5.082 7.563 ( 1.865 -1.664 -1.011) 2.697 7.724 ( 0.073 12.532 2.354) 12.751 7.864 ( 1.717 -0.482 1.159) 2.126 8.546 ( -0.840 3.407 6.732) 7.591 8.616 ( -1.534 -3.975 9.032) 9.986 10.427 ( -1.518 5.358 -2.324) 6.035 10.525 ( -3.997 -5.200 -2.354) 6.969 10.964 ( 1.604 8.882 2.356) 9.328 11.140 ( 1.125 -8.666 2.862) 9.195 11.813 ( -5.219 3.188 -4.231) 7.436 11.894 ( -0.663 -4.990 -1.232) 5.183 12.251 ( 3.971 4.022 1.687) 5.899 12.406 ( 3.342 -9.875 1.050) 10.478 12.563 ( 4.491 7.734 -1.887) 9.140 12.734 ( 4.015 -8.645 -2.010) 9.741 13.806 ( -0.944 3.850 0.154) 3.967 13.873 ( -0.610 -2.616 1.105) 2.904 14.025 ( 5.647 2.966 1.942) 6.668 14.104 ( 4.716 -5.666 -0.797) 7.415 23.051 ( -2.444 3.502 7.008) 8.206 23.127 ( -3.234 -4.312 9.870) 11.246 24.430 ( -8.162 3.374 -8.021) 11.930 24.538 ( -9.020 -7.672 -7.968) 14.272 26.512 ( 4.739 14.213 0.837) 15.005 26.687 ( 8.010 -3.602 -0.040) 8.783 28.579 ( -0.008 1.468 0.043) 1.469 28.638 ( 0.707 -4.556 0.254) 4.617 ======================= Grid point 124 (69/185) ======================= q-point: (-0.22 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -6.083 8.998 4.165) 11.633 2.032 ( -2.205 -2.888 3.824) 5.275 2.261 ( -19.168 15.119 1.030) 24.435 2.545 ( -13.454 -13.766 0.062) 19.249 2.934 ( -5.164 6.191 3.709) 8.874 3.055 ( -4.974 -5.000 4.361) 8.292 3.345 ( -14.785 13.346 1.790) 19.998 3.481 ( -8.631 0.398 -4.251) 9.630 3.534 ( 1.198 1.133 2.182) 2.735 3.661 ( -1.280 -6.322 3.300) 7.246 3.890 ( 3.685 15.219 -3.601) 16.068 4.150 ( 4.419 -8.450 0.028) 9.536 4.254 ( 0.701 2.271 2.371) 3.357 4.342 ( -1.022 -5.943 4.139) 7.314 5.299 ( 2.855 5.496 -6.693) 9.119 5.388 ( 4.249 -4.141 -5.877) 8.351 5.670 ( 5.687 4.028 -3.702) 7.891 5.765 ( 3.559 -5.643 -5.112) 8.405 6.253 ( -0.932 3.552 0.646) 3.729 6.345 ( -0.391 -5.847 4.817) 7.586 7.499 ( 1.171 6.363 -2.143) 6.816 7.591 ( 2.261 -3.357 -2.297) 4.654 7.732 ( -0.890 13.900 3.057) 14.260 7.900 ( 0.992 -2.088 2.366) 3.308 8.567 ( -1.199 3.812 7.328) 8.347 8.640 ( -1.364 -3.840 9.072) 9.945 10.389 ( -0.808 2.341 -3.558) 4.335 10.449 ( -2.654 -4.126 -2.287) 5.413 11.005 ( 0.979 8.175 3.037) 8.776 11.160 ( -0.429 -7.840 3.459) 8.580 11.719 ( -3.059 7.105 -2.360) 8.088 11.884 ( -0.171 -9.731 -0.344) 9.739 12.337 ( 4.145 5.262 1.490) 6.862 12.447 ( 0.942 -1.556 -0.855) 2.010 12.641 ( 5.091 1.145 -2.394) 5.741 12.777 ( 2.328 -8.993 -3.832) 10.049 13.798 ( -0.128 3.575 0.251) 3.586 13.865 ( -0.796 -3.219 1.171) 3.517 14.146 ( 6.347 2.762 1.655) 7.117 14.198 ( 5.484 -2.878 -0.202) 6.197 23.038 ( -3.146 3.165 7.081) 8.370 23.111 ( -4.149 -4.356 9.390) 11.151 24.247 ( -6.777 1.906 -6.588) 9.642 24.329 ( -8.689 -6.483 -7.191) 13.009 26.609 ( 5.193 15.948 0.386) 16.777 26.825 ( 6.978 -6.171 -0.863) 9.355 28.584 ( 0.468 1.844 0.179) 1.911 28.646 ( -0.050 -4.485 0.216) 4.491 ======================= Grid point 125 (70/185) ======================= q-point: (-0.11 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -6.655 15.192 4.296) 17.133 1.948 ( -12.828 17.835 3.291) 22.215 2.021 ( -1.618 -5.058 4.627) 7.043 2.316 ( -10.158 -18.699 -0.172) 21.280 2.863 ( -3.685 7.826 1.400) 8.763 3.003 ( -2.715 -4.662 3.923) 6.670 3.166 ( -7.851 12.698 8.145) 17.007 3.330 ( -4.532 -2.817 -0.583) 5.367 3.569 ( 0.968 0.612 2.792) 3.017 3.661 ( -1.768 -7.045 4.126) 8.354 3.953 ( 4.212 17.897 -4.458) 18.918 4.215 ( 0.187 2.748 3.617) 4.546 4.289 ( 3.720 -10.082 -4.406) 11.615 4.344 ( -0.997 -7.130 3.461) 7.988 5.319 ( 3.156 6.856 -6.851) 10.193 5.426 ( 3.441 -4.496 -6.399) 8.544 5.742 ( 3.764 1.793 -1.311) 4.370 5.790 ( 1.942 -3.121 -2.447) 4.416 6.234 ( -1.211 4.620 -0.271) 4.784 6.350 ( -1.485 -7.120 3.451) 8.051 7.512 ( 1.722 7.077 -2.773) 7.794 7.619 ( 2.257 -4.654 -2.900) 5.930 7.723 ( -1.836 15.353 2.983) 15.747 7.918 ( -0.554 -3.561 2.327) 4.289 8.579 ( -1.952 4.327 7.837) 9.162 8.660 ( -1.919 -3.990 9.287) 10.288 10.368 ( 0.849 1.604 -2.966) 3.477 10.416 ( -0.029 -3.454 -0.425) 3.480 11.036 ( 0.455 7.053 4.661) 8.466 11.173 ( -0.567 -7.214 5.611) 9.157 11.672 ( -1.198 8.961 -1.713) 9.202 11.876 ( -0.600 -11.901 -0.902) 11.951 12.403 ( 2.405 4.690 -0.226) 5.275 12.434 ( -0.926 3.966 -3.311) 5.248 12.702 ( 3.020 -2.419 -4.735) 6.115 12.780 ( 0.937 -9.009 -4.881) 10.289 13.801 ( 0.159 3.149 0.573) 3.205 13.860 ( -0.561 -2.820 1.476) 3.232 14.257 ( 4.547 2.124 1.114) 5.141 14.284 ( 3.441 -0.847 0.678) 3.608 23.015 ( -3.362 2.535 6.573) 7.806 23.080 ( -4.253 -4.062 7.829) 9.792 24.140 ( -1.646 -0.454 -3.431) 3.833 24.176 ( -4.038 -4.067 -4.482) 7.275 26.688 ( 3.180 16.169 -0.656) 16.492 26.915 ( 3.670 -7.301 -2.340) 8.500 28.597 ( 0.778 0.833 0.230) 1.162 28.637 ( -0.942 -3.249 0.010) 3.383 ======================= Grid point 162 (71/185) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -5.424 0.000 22.429) 23.076 1.036 ( -3.434 0.000 27.176) 27.392 1.716 ( -2.154 0.000 42.246) 42.301 2.064 ( 8.001 0.000 -3.227) 8.628 2.608 ( -1.546 0.000 0.188) 1.557 2.669 ( -3.794 0.000 2.536) 4.564 2.787 ( -1.691 0.000 -16.468) 16.555 3.252 ( 0.899 0.000 3.425) 3.541 3.294 ( 0.884 0.000 4.870) 4.949 3.396 ( 1.266 0.000 5.257) 5.408 3.754 ( 2.787 0.000 3.284) 4.307 3.889 ( -0.537 0.000 -4.225) 4.259 4.230 ( -0.011 0.000 6.308) 6.308 5.090 ( 2.948 0.000 -8.248) 8.759 5.433 ( -2.737 0.000 -4.414) 5.194 5.515 ( -3.247 0.000 -2.190) 3.917 5.819 ( -1.250 0.000 -5.985) 6.114 5.851 ( -0.843 0.000 0.505) 0.983 5.918 ( 11.437 0.000 -2.153) 11.638 6.392 ( 4.213 0.000 0.156) 4.216 6.959 ( 0.207 0.000 9.110) 9.112 7.321 ( 0.143 0.000 -3.207) 3.210 7.383 ( -3.379 0.000 -0.221) 3.386 7.906 ( 1.322 0.000 6.911) 7.036 8.714 ( -2.011 0.000 7.476) 7.742 9.297 ( -12.148 0.000 4.180) 12.847 9.733 ( -5.185 0.000 -1.140) 5.309 10.507 ( -3.724 0.000 -1.502) 4.015 10.898 ( 6.056 0.000 8.704) 10.604 11.273 ( -9.386 0.000 -0.401) 9.394 11.620 ( 0.333 0.000 -7.176) 7.184 11.816 ( 3.372 0.000 -0.646) 3.433 12.519 ( 7.978 0.000 -6.589) 10.347 12.647 ( -3.359 0.000 -8.506) 9.145 12.912 ( 1.984 0.000 3.117) 3.695 13.513 ( -2.954 0.000 -4.528) 5.406 13.689 ( 0.194 0.000 2.662) 2.669 13.967 ( -0.463 0.000 -1.987) 2.040 13.969 ( 0.552 0.000 5.191) 5.221 14.268 ( 10.613 0.000 2.084) 10.816 23.375 ( 0.632 0.000 10.123) 10.143 24.054 ( -40.107 0.000 -2.324) 40.174 24.450 ( 2.812 0.000 -4.114) 4.983 24.983 ( -0.193 0.000 -0.991) 1.009 25.110 ( 0.145 0.000 0.390) 0.416 25.912 ( 24.460 0.000 -2.083) 24.549 28.757 ( -2.157 0.000 -0.962) 2.362 28.808 ( 5.899 0.000 1.035) 5.989 ======================= Grid point 163 (72/185) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -3.185 0.000 17.868) 18.150 1.299 ( 13.644 0.000 26.120) 29.469 2.063 ( 16.254 0.000 32.574) 36.404 2.183 ( 6.542 0.000 -3.116) 7.246 2.530 ( -5.711 0.000 0.007) 5.711 2.645 ( -1.708 0.000 4.892) 5.182 2.735 ( 5.755 0.000 -16.458) 17.435 3.308 ( 3.277 0.000 2.558) 4.157 3.317 ( -3.830 0.000 7.840) 8.725 3.440 ( 3.285 0.000 1.287) 3.528 3.841 ( -2.167 0.000 -4.414) 4.918 3.846 ( 5.606 0.000 1.444) 5.789 4.284 ( 2.515 0.000 5.874) 6.390 4.964 ( -12.599 0.000 1.496) 12.688 5.323 ( -3.522 0.000 -0.058) 3.522 5.515 ( 2.455 0.000 -8.662) 9.003 5.782 ( 0.583 0.000 -5.686) 5.716 5.802 ( -4.742 0.000 -0.170) 4.745 6.072 ( 6.767 0.000 -10.529) 12.516 6.474 ( 4.471 0.000 0.347) 4.484 6.965 ( -4.682 0.000 7.635) 8.956 7.255 ( -5.230 0.000 -2.870) 5.966 7.339 ( -1.716 0.000 1.625) 2.363 7.930 ( -2.849 0.000 6.129) 6.759 8.651 ( -8.569 0.000 6.578) 10.802 9.132 ( -8.723 0.000 11.793) 14.668 9.658 ( -2.435 0.000 0.218) 2.444 10.467 ( -0.306 0.000 0.449) 0.543 11.066 ( 7.267 0.000 7.060) 10.132 11.224 ( 1.721 0.000 2.847) 3.326 11.579 ( -0.149 0.000 -8.217) 8.218 11.880 ( 3.857 0.000 -0.676) 3.916 12.482 ( -4.413 0.000 -6.132) 7.555 12.578 ( 0.686 0.000 -9.796) 9.820 12.961 ( 0.310 0.000 4.761) 4.771 13.397 ( -6.426 0.000 -5.853) 8.692 13.711 ( 0.542 0.000 2.800) 2.853 13.936 ( -1.676 0.000 -2.113) 2.698 13.992 ( -0.928 0.000 4.797) 4.886 14.475 ( 10.485 0.000 -4.263) 11.319 23.437 ( -0.670 0.000 12.938) 12.955 23.478 ( -25.413 0.000 12.561) 28.348 24.529 ( 8.460 0.000 -5.145) 9.902 24.976 ( 0.052 0.000 -0.820) 0.822 25.111 ( -0.234 0.000 0.278) 0.363 26.147 ( 7.043 0.000 -10.861) 12.945 28.728 ( -0.957 0.000 -0.157) 0.970 28.918 ( 5.353 0.000 -2.082) 5.744 ======================= Grid point 164 (73/185) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -1.412 0.000 11.772) 11.856 1.694 ( 13.688 0.000 23.242) 26.973 2.223 ( -0.582 0.000 -7.240) 7.263 2.469 ( -0.729 0.000 4.841) 4.896 2.600 ( 26.213 0.000 17.149) 31.324 2.641 ( -2.104 0.000 5.952) 6.313 2.790 ( 7.520 0.000 -12.982) 15.003 3.235 ( -6.953 0.000 4.458) 8.259 3.393 ( 4.927 0.000 1.248) 5.082 3.552 ( 6.829 0.000 4.664) 8.270 3.766 ( -3.454 0.000 -4.099) 5.361 3.972 ( 7.720 0.000 1.034) 7.789 4.375 ( 3.840 0.000 4.329) 5.787 4.743 ( -13.489 0.000 7.642) 15.503 5.258 ( -3.032 0.000 -5.315) 6.119 5.471 ( -2.850 0.000 -9.885) 10.288 5.697 ( -5.126 0.000 -2.259) 5.602 5.773 ( 1.892 0.000 -6.237) 6.518 6.054 ( -1.500 0.000 -9.562) 9.679 6.551 ( 3.601 0.000 0.217) 3.608 6.875 ( -8.584 0.000 5.286) 10.081 7.123 ( -7.369 0.000 -1.486) 7.517 7.334 ( -0.494 0.000 2.906) 2.947 7.871 ( -6.710 0.000 5.223) 8.503 8.528 ( -7.599 0.000 5.673) 9.483 9.089 ( -4.892 0.000 14.278) 15.092 9.650 ( 0.464 0.000 3.169) 3.202 10.494 ( 2.179 0.000 1.896) 2.889 11.221 ( 5.914 0.000 4.426) 7.387 11.313 ( 4.909 0.000 4.038) 6.356 11.532 ( 0.175 0.000 -8.561) 8.562 11.940 ( 3.430 0.000 -2.308) 4.134 12.377 ( -4.245 0.000 -2.064) 4.721 12.557 ( 2.868 0.000 -8.619) 9.084 12.974 ( -1.933 0.000 5.948) 6.254 13.236 ( -7.082 0.000 -6.023) 9.297 13.739 ( 0.934 0.000 2.651) 2.810 13.886 ( -2.545 0.000 -1.912) 3.183 13.988 ( -2.194 0.000 4.754) 5.236 14.587 ( 5.610 0.000 -6.798) 8.813 23.203 ( -13.428 0.000 11.015) 17.368 23.508 ( -0.330 0.000 15.835) 15.838 24.696 ( 13.415 0.000 -7.338) 15.291 24.976 ( 0.355 0.000 -0.539) 0.646 25.105 ( -0.537 0.000 0.143) 0.555 26.100 ( -4.480 0.000 -12.378) 13.164 28.722 ( 0.005 0.000 1.038) 1.038 28.969 ( 2.187 0.000 -3.396) 4.039 ======================= Grid point 165 (74/185) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.079 0.000 7.076) 7.076 2.024 ( 10.157 0.000 18.796) 21.364 2.109 ( -5.692 0.000 -8.537) 10.260 2.533 ( 3.122 0.000 5.510) 6.333 2.629 ( -2.973 0.000 6.698) 7.328 2.739 ( -6.012 0.000 -9.720) 11.429 3.134 ( 16.825 0.000 8.008) 18.633 3.217 ( 8.877 0.000 0.960) 8.928 3.496 ( 5.927 0.000 -0.326) 5.936 3.677 ( -4.022 0.000 -2.862) 4.937 3.725 ( 8.275 0.000 7.526) 11.185 4.124 ( 7.821 0.000 -2.485) 8.206 4.438 ( -0.494 0.000 7.100) 7.117 4.584 ( -7.325 0.000 6.385) 9.718 5.149 ( -5.696 0.000 -5.707) 8.064 5.294 ( -9.293 0.000 -10.212) 13.807 5.616 ( -1.465 0.000 -6.138) 6.310 5.781 ( 3.052 0.000 -7.221) 7.840 5.966 ( -2.363 0.000 -6.359) 6.783 6.586 ( -0.388 0.000 -1.379) 1.432 6.739 ( -8.204 0.000 4.214) 9.223 7.002 ( -4.822 0.000 0.620) 4.862 7.344 ( -0.503 0.000 3.444) 3.480 7.763 ( -7.376 0.000 4.382) 8.580 8.451 ( -4.188 0.000 5.499) 6.913 9.088 ( -3.844 0.000 14.573) 15.072 9.700 ( 1.931 0.000 6.215) 6.508 10.552 ( 2.524 0.000 2.719) 3.709 11.302 ( 1.325 0.000 -0.879) 1.590 11.412 ( 3.139 0.000 3.835) 4.956 11.512 ( 2.540 0.000 -5.885) 6.410 11.973 ( 2.281 0.000 -5.234) 5.709 12.312 ( -3.439 0.000 3.472) 4.887 12.593 ( 5.689 0.000 -7.714) 9.585 12.953 ( -3.279 0.000 4.355) 5.451 13.112 ( -3.067 0.000 -2.553) 3.991 13.773 ( 1.437 0.000 2.321) 2.730 13.827 ( -2.859 0.000 -1.492) 3.225 13.965 ( -3.086 0.000 4.743) 5.659 14.622 ( 2.911 0.000 -7.819) 8.344 23.066 ( -7.539 0.000 7.043) 10.317 23.592 ( -0.666 0.000 18.145) 18.157 24.918 ( 15.646 0.000 -10.575) 18.885 24.983 ( 0.550 0.000 -0.282) 0.619 25.095 ( -0.601 0.000 0.051) 0.603 25.884 ( -10.823 0.000 -12.522) 16.551 28.733 ( 0.145 0.000 1.732) 1.739 28.975 ( 0.914 0.000 -3.424) 3.544 ======================= Grid point 166 (75/185) ======================= q-point: (-0.56 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.693 0.000 4.895) 4.944 1.955 ( -5.905 0.000 -8.466) 10.322 2.222 ( -1.455 0.000 10.098) 10.203 2.543 ( -5.800 0.000 -2.775) 6.430 2.591 ( -1.168 0.000 2.347) 2.622 2.629 ( 0.257 0.000 9.078) 9.082 3.267 ( 4.529 0.000 1.896) 4.910 3.495 ( 9.355 0.000 1.896) 9.546 3.544 ( -1.848 0.000 -5.136) 5.458 3.648 ( 3.857 0.000 1.858) 4.281 3.865 ( -0.927 0.000 5.972) 6.043 4.143 ( -2.652 0.000 -3.651) 4.513 4.445 ( -8.659 0.000 9.364) 12.754 4.592 ( 8.785 0.000 3.534) 9.469 4.994 ( -7.067 0.000 -4.197) 8.219 5.131 ( -0.473 0.000 -8.905) 8.918 5.572 ( 0.769 0.000 -7.831) 7.869 5.813 ( 5.151 0.000 -7.964) 9.485 5.920 ( 1.194 0.000 -6.169) 6.284 6.508 ( -5.114 0.000 -4.174) 6.601 6.647 ( -5.537 0.000 5.905) 8.096 6.973 ( 0.669 0.000 1.675) 1.804 7.347 ( -1.105 0.000 2.909) 3.112 7.675 ( -4.413 0.000 4.441) 6.261 8.431 ( -1.596 0.000 6.122) 6.326 9.107 ( -2.691 0.000 14.301) 14.552 9.776 ( 1.837 0.000 8.470) 8.667 10.603 ( 1.251 0.000 2.942) 3.197 11.265 ( -2.720 0.000 -5.812) 6.417 11.467 ( 1.279 0.000 3.027) 3.286 11.552 ( 3.622 0.000 -2.821) 4.591 11.960 ( -0.082 0.000 -7.468) 7.468 12.283 ( -2.744 0.000 5.624) 6.257 12.656 ( 4.474 0.000 -5.639) 7.198 12.936 ( 0.625 0.000 1.374) 1.510 13.098 ( 1.183 0.000 1.991) 2.316 13.769 ( -2.820 0.000 -0.388) 2.847 13.817 ( 2.189 0.000 1.295) 2.543 13.931 ( -3.487 0.000 4.837) 5.963 14.614 ( 1.022 0.000 -8.288) 8.351 23.000 ( -3.479 0.000 5.417) 6.438 23.676 ( -1.005 0.000 19.380) 19.406 24.992 ( 0.540 0.000 -0.140) 0.558 25.086 ( -0.387 0.000 0.015) 0.387 25.100 ( 9.818 0.000 -15.502) 18.350 25.631 ( -7.806 0.000 -10.486) 13.072 28.735 ( -1.158 0.000 1.672) 2.033 28.979 ( 1.581 0.000 -2.913) 3.314 ======================= Grid point 167 (76/185) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -1.525 0.000 5.530) 5.736 1.823 ( -3.218 0.000 -7.769) 8.409 1.992 ( -20.547 0.000 -0.252) 20.549 2.569 ( -2.017 0.000 3.308) 3.874 2.623 ( 8.049 0.000 6.373) 10.266 2.687 ( 0.680 0.000 6.950) 6.983 3.338 ( 1.397 0.000 2.972) 3.284 3.454 ( -4.241 0.000 -3.739) 5.654 3.478 ( -16.549 0.000 3.146) 16.845 3.750 ( 5.459 0.000 0.242) 5.465 3.770 ( -5.007 0.000 2.518) 5.605 4.019 ( -10.685 0.000 -2.244) 10.918 4.288 ( -10.408 0.000 7.589) 12.881 4.777 ( 4.126 0.000 2.531) 4.840 4.930 ( 4.902 0.000 -4.853) 6.898 5.198 ( 10.865 0.000 -4.130) 11.624 5.559 ( 2.171 0.000 -7.426) 7.737 5.880 ( 6.786 0.000 -8.727) 11.054 5.948 ( 6.223 0.000 -8.416) 10.467 6.407 ( -3.275 0.000 -3.478) 4.778 6.591 ( -3.884 0.000 6.436) 7.517 7.022 ( 3.351 0.000 1.239) 3.572 7.345 ( -0.164 0.000 2.296) 2.302 7.657 ( -0.644 0.000 4.914) 4.956 8.452 ( -0.120 0.000 6.765) 6.766 9.145 ( -1.411 0.000 13.780) 13.852 9.852 ( 1.110 0.000 9.497) 9.562 10.623 ( -0.780 0.000 2.664) 2.776 11.159 ( -5.074 0.000 -6.561) 8.294 11.508 ( 1.823 0.000 3.403) 3.861 11.597 ( 2.939 0.000 -2.816) 4.071 11.896 ( -2.217 0.000 -7.015) 7.357 12.261 ( -2.479 0.000 2.709) 3.672 12.691 ( 2.029 0.000 -1.996) 2.846 12.978 ( 2.790 0.000 -1.117) 3.006 13.172 ( 5.541 0.000 3.038) 6.319 13.722 ( -2.278 0.000 0.224) 2.289 13.867 ( 2.616 0.000 0.684) 2.704 13.895 ( -3.357 0.000 5.093) 6.099 14.568 ( -1.183 0.000 -8.449) 8.531 23.003 ( 0.453 0.000 6.058) 6.075 23.776 ( 0.570 0.000 21.030) 21.038 24.999 ( 0.366 0.000 -0.149) 0.395 25.035 ( -6.384 0.000 -14.666) 15.995 25.082 ( -0.029 0.000 0.024) 0.038 25.562 ( 5.456 0.000 -13.528) 14.587 28.711 ( -2.098 0.000 1.455) 2.553 29.000 ( 2.176 0.000 -2.631) 3.414 ======================= Grid point 168 (77/185) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -6.747 0.000 9.576) 11.714 1.598 ( -22.770 0.000 4.632) 23.236 1.776 ( 2.544 0.000 -6.825) 7.284 2.563 ( -0.334 0.000 2.623) 2.644 2.724 ( -0.397 0.000 6.046) 6.060 2.792 ( 0.951 0.000 9.197) 9.246 3.024 ( -27.109 0.000 4.110) 27.419 3.332 ( -3.935 0.000 1.780) 4.319 3.361 ( -4.136 0.000 -2.156) 4.664 3.700 ( -10.902 0.000 0.929) 10.942 3.796 ( -6.802 0.000 1.375) 6.940 3.835 ( 4.159 0.000 -1.262) 4.346 4.202 ( -3.451 0.000 6.445) 7.311 4.775 ( -0.720 0.000 -1.419) 1.591 5.062 ( 7.951 0.000 -0.724) 7.984 5.413 ( 13.091 0.000 -2.055) 13.251 5.562 ( 1.972 0.000 -6.099) 6.410 5.942 ( 5.024 0.000 -9.921) 11.120 6.038 ( 8.546 0.000 -12.042) 14.766 6.346 ( -2.747 0.000 -0.100) 2.749 6.605 ( 2.342 0.000 6.050) 6.488 7.099 ( 4.680 0.000 0.219) 4.685 7.378 ( 2.315 0.000 2.550) 3.444 7.691 ( 1.332 0.000 4.471) 4.665 8.498 ( 1.107 0.000 7.382) 7.464 9.205 ( 0.262 0.000 13.090) 13.093 9.911 ( -0.265 0.000 8.422) 8.427 10.609 ( -1.881 0.000 2.489) 3.119 11.016 ( -7.023 0.000 -5.123) 8.693 11.583 ( 4.410 0.000 4.294) 6.155 11.628 ( 2.390 0.000 -3.638) 4.353 11.821 ( -2.115 0.000 -5.126) 5.545 12.205 ( -4.609 0.000 -0.980) 4.713 12.717 ( 1.302 0.000 0.671) 1.465 12.997 ( 0.652 0.000 -4.073) 4.125 13.320 ( 8.369 0.000 2.531) 8.743 13.690 ( -1.565 0.000 0.947) 1.829 13.868 ( -2.614 0.000 5.580) 6.162 13.916 ( 2.559 0.000 -0.114) 2.561 14.476 ( -4.039 0.000 -8.683) 9.577 23.077 ( 3.508 0.000 7.324) 8.121 23.956 ( 7.022 0.000 24.043) 25.047 24.821 ( -8.842 0.000 -7.218) 11.414 25.003 ( 0.134 0.000 -0.340) 0.365 25.085 ( 0.280 0.000 0.109) 0.300 25.567 ( 3.637 0.000 -21.896) 22.196 28.688 ( -1.019 0.000 1.535) 1.842 29.012 ( 0.403 0.000 -3.338) 3.363 ======================= Grid point 169 (78/185) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -9.326 0.000 16.343) 18.816 1.265 ( -19.102 0.000 16.302) 25.113 1.830 ( 6.677 0.000 -5.871) 8.891 2.329 ( -40.699 0.000 19.354) 45.067 2.582 ( 0.927 0.000 1.567) 1.821 2.737 ( -1.388 0.000 4.727) 4.926 3.036 ( 8.304 0.000 -2.127) 8.572 3.213 ( -7.379 0.000 -3.196) 8.042 3.286 ( -3.436 0.000 0.062) 3.437 3.465 ( -12.188 0.000 5.758) 13.479 3.753 ( -2.835 0.000 3.862) 4.791 3.887 ( 2.652 0.000 -2.553) 3.681 4.200 ( -1.349 0.000 5.963) 6.113 4.807 ( 6.089 0.000 -0.966) 6.165 5.191 ( 6.936 0.000 0.316) 6.943 5.565 ( 1.717 0.000 -4.693) 4.997 5.622 ( 10.097 0.000 0.365) 10.104 5.944 ( 0.911 0.000 -9.377) 9.421 6.075 ( 2.267 0.000 -14.720) 14.893 6.310 ( -1.055 0.000 1.010) 1.460 6.727 ( 6.085 0.000 7.288) 9.494 7.193 ( 5.885 0.000 -1.237) 6.014 7.436 ( 1.991 0.000 1.720) 2.631 7.748 ( 2.436 0.000 4.340) 4.977 8.573 ( 2.602 0.000 7.831) 8.252 9.301 ( 3.047 0.000 11.041) 11.453 9.917 ( -3.318 0.000 4.469) 5.566 10.601 ( -0.316 0.000 2.676) 2.695 10.861 ( -7.459 0.000 -1.523) 7.613 11.644 ( 1.834 0.000 -4.727) 5.070 11.696 ( 4.324 0.000 -1.827) 4.694 11.777 ( 0.178 0.000 -3.377) 3.382 12.098 ( -5.175 0.000 3.716) 6.371 12.743 ( 0.749 0.000 1.216) 1.428 12.960 ( -1.444 0.000 -6.112) 6.280 13.471 ( 6.523 0.000 0.673) 6.558 13.675 ( -0.847 0.000 1.644) 1.850 13.868 ( -0.756 0.000 6.517) 6.561 13.955 ( 1.920 0.000 -0.900) 2.121 14.331 ( -6.786 0.000 -7.672) 10.243 23.191 ( 4.067 0.000 7.917) 8.900 24.295 ( 15.443 0.000 14.726) 21.339 24.703 ( -0.657 0.000 9.364) 9.387 25.000 ( -0.107 0.000 -0.671) 0.679 25.093 ( 0.451 0.000 0.275) 0.528 25.416 ( -6.321 0.000 -27.037) 27.766 28.695 ( 0.837 0.000 1.510) 1.727 28.962 ( -3.890 0.000 -4.555) 5.991 ======================= Grid point 170 (79/185) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -8.007 0.000 22.011) 23.422 1.086 ( -13.889 0.000 24.605) 28.254 1.792 ( -29.980 0.000 33.744) 45.138 1.938 ( 8.041 0.000 -4.622) 9.275 2.605 ( 0.708 0.000 0.964) 1.196 2.721 ( -2.750 0.000 2.667) 3.831 2.955 ( -7.171 0.000 -13.248) 15.065 3.235 ( 5.881 0.000 -0.853) 5.943 3.244 ( -1.774 0.000 2.482) 3.050 3.358 ( -4.514 0.000 11.324) 12.190 3.726 ( -2.006 0.000 4.679) 5.090 3.904 ( 1.125 0.000 -3.573) 3.746 4.208 ( -1.077 0.000 5.875) 5.973 4.974 ( 11.838 0.000 -4.630) 12.711 5.338 ( 9.747 0.000 -2.082) 9.967 5.578 ( 1.463 0.000 -2.050) 2.518 5.772 ( 5.683 0.000 2.269) 6.119 5.886 ( -1.858 0.000 -7.290) 7.523 5.950 ( -7.193 0.000 -9.485) 11.904 6.328 ( 2.498 0.000 0.274) 2.513 6.869 ( 4.133 0.000 8.895) 9.808 7.286 ( 4.957 0.000 -2.599) 5.597 7.441 ( -1.876 0.000 -0.602) 1.971 7.827 ( 2.971 0.000 6.148) 6.829 8.664 ( 2.267 0.000 7.675) 8.003 9.395 ( 0.354 0.000 4.290) 4.305 9.841 ( -5.877 0.000 0.253) 5.882 10.592 ( -2.888 0.000 -1.758) 3.381 10.787 ( -0.240 0.000 6.972) 6.976 11.554 ( -14.686 0.000 -9.787) 17.648 11.642 ( 1.095 0.000 -5.951) 6.051 11.775 ( 1.725 0.000 -2.166) 2.769 12.252 ( 16.139 0.000 8.589) 18.282 12.736 ( -1.913 0.000 -2.626) 3.249 12.902 ( -1.098 0.000 -3.393) 3.566 13.543 ( 1.686 0.000 -1.953) 2.581 13.676 ( -0.247 0.000 2.249) 2.262 13.914 ( 1.489 0.000 6.972) 7.129 13.973 ( 0.830 0.000 -1.557) 1.765 14.193 ( -3.488 0.000 -1.120) 3.663 23.297 ( 2.546 0.000 8.637) 9.005 24.426 ( 1.206 0.000 -6.520) 6.630 24.787 ( -19.487 0.000 -18.935) 27.171 24.992 ( -0.252 0.000 -0.942) 0.975 25.103 ( 0.412 0.000 0.399) 0.574 25.335 ( 23.998 0.000 16.028) 28.858 28.730 ( 2.169 0.000 1.561) 2.672 28.839 ( -5.976 0.000 -2.959) 6.669 ======================= Grid point 171 (80/185) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -4.413 8.204 24.292) 26.017 1.189 ( 1.981 14.336 21.397) 25.832 1.894 ( -4.309 18.493 33.624) 38.615 2.131 ( 5.947 5.338 0.673) 8.019 2.639 ( -1.082 -0.084 -4.765) 4.887 2.754 ( -3.809 6.621 1.306) 7.749 2.765 ( -1.264 4.948 -6.814) 8.515 3.298 ( -0.081 0.326 5.759) 5.769 3.447 ( 2.659 6.654 2.511) 7.593 3.486 ( -0.121 18.223 -3.106) 18.486 3.730 ( 2.784 -1.925 1.977) 3.920 3.884 ( -0.547 -0.977 -2.774) 2.992 4.228 ( -0.687 -0.141 6.367) 6.406 5.054 ( 2.215 -3.917 -7.903) 9.095 5.281 ( -4.736 -12.254 2.973) 13.470 5.484 ( 1.095 -2.524 -6.098) 6.690 5.831 ( 0.803 -1.316 0.585) 1.649 5.850 ( 1.169 0.655 -3.082) 3.360 5.951 ( 6.343 2.820 -6.982) 9.846 6.514 ( 2.919 12.147 -0.045) 12.493 6.901 ( -0.275 -5.713 8.062) 9.885 7.379 ( 0.348 5.933 -3.300) 6.798 7.393 ( -3.132 1.098 -0.026) 3.319 7.928 ( 0.962 1.675 6.652) 6.926 8.668 ( -2.909 -3.672 8.193) 9.438 9.161 ( -7.006 -8.664 9.397) 14.576 9.915 ( -5.202 12.974 -6.733) 15.515 10.561 ( -2.928 4.670 0.458) 5.531 10.907 ( 3.364 0.812 7.851) 8.580 11.255 ( -5.089 -0.440 -0.412) 5.124 11.682 ( -1.982 4.480 -5.662) 7.487 11.840 ( 3.306 2.887 -2.036) 4.838 12.343 ( 8.085 -14.360 -0.136) 16.480 12.620 ( -3.169 -2.858 -7.543) 8.666 12.829 ( 0.023 -7.227 1.967) 7.490 13.418 ( -2.055 -9.055 -5.021) 10.556 13.770 ( -0.050 2.334 -0.930) 2.513 13.930 ( -0.287 3.709 2.689) 4.591 14.075 ( -0.409 4.908 2.874) 5.702 14.250 ( 9.063 -0.983 0.572) 9.135 23.340 ( 0.673 -3.887 9.598) 10.377 23.751 ( -28.352 -21.858 9.812) 37.120 24.353 ( 2.033 -6.044 -4.963) 8.081 24.760 ( 8.271 -16.208 1.673) 18.273 25.426 ( -1.817 24.302 -0.479) 24.374 26.246 ( 10.784 23.837 -11.957) 28.766 28.739 ( -2.515 -1.752 -0.879) 3.189 28.788 ( 5.072 -2.089 1.032) 5.581 ======================= Grid point 172 (81/185) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 5.021 17.281 16.007) 24.085 1.450 ( 12.996 14.991 21.366) 29.157 2.113 ( 10.088 6.896 27.188) 29.808 2.244 ( 5.672 3.954 1.780) 7.140 2.597 ( -1.955 5.704 -4.796) 7.705 2.699 ( 0.934 2.009 -5.420) 5.855 2.746 ( 0.644 7.539 1.468) 7.708 3.327 ( -2.095 0.949 7.917) 8.244 3.473 ( 0.774 14.531 -1.985) 14.686 3.487 ( 1.988 5.314 0.846) 5.737 3.823 ( 4.430 -1.982 1.095) 4.975 3.848 ( -0.032 0.123 -3.661) 3.663 4.273 ( 2.037 -1.223 6.165) 6.607 4.918 ( -12.905 -5.026 3.012) 14.173 5.226 ( -0.807 -7.245 -1.039) 7.363 5.484 ( 2.018 -3.046 -9.185) 9.885 5.790 ( -4.754 -1.013 -0.249) 4.868 5.855 ( 1.990 4.812 -5.946) 7.904 6.045 ( 5.493 -2.341 -9.311) 11.061 6.570 ( 3.027 10.199 0.731) 10.664 6.900 ( -4.342 -6.306 6.851) 10.274 7.324 ( -3.995 6.619 -3.149) 8.348 7.355 ( -1.518 2.019 1.556) 2.967 7.946 ( -2.939 0.940 5.674) 6.459 8.615 ( -7.051 -2.540 7.571) 10.653 9.095 ( -6.134 -3.192 12.117) 13.951 9.796 ( -4.038 12.415 -2.740) 13.340 10.536 ( -0.651 6.432 1.617) 6.664 11.017 ( 5.001 -3.975 6.156) 8.872 11.260 ( 3.376 3.210 3.512) 5.834 11.620 ( -1.233 3.549 -7.141) 8.069 11.899 ( 4.020 2.002 -2.026) 4.927 12.382 ( -1.557 -10.171 -2.941) 10.701 12.538 ( 0.158 -3.105 -10.019) 10.490 12.855 ( 0.011 -9.218 5.285) 10.625 13.318 ( -5.371 -7.886 -6.209) 11.384 13.765 ( -0.245 2.334 0.795) 2.478 13.928 ( -1.298 2.204 1.654) 3.046 14.052 ( -3.076 3.980 2.588) 5.657 14.429 ( 9.297 -4.013 -3.332) 10.661 23.357 ( -14.699 -9.702 11.896) 21.254 23.418 ( -4.560 -2.281 13.247) 14.195 24.414 ( 7.134 -7.894 -4.449) 11.533 24.879 ( 5.321 -9.906 -1.298) 11.320 25.376 ( -2.898 22.908 0.219) 23.091 26.300 ( 2.126 13.395 -11.897) 18.041 28.707 ( -0.977 -2.033 0.017) 2.255 28.880 ( 4.406 -3.652 -1.357) 5.882 ======================= Grid point 173 (82/185) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 4.041 27.083 7.874) 28.493 1.785 ( 9.635 10.025 20.888) 25.092 2.332 ( 2.295 7.306 -1.709) 7.847 2.499 ( 13.590 -3.389 12.242) 18.602 2.512 ( -1.270 6.520 1.216) 6.753 2.763 ( 8.368 0.833 -9.264) 12.512 2.819 ( 7.165 9.079 8.299) 14.235 3.271 ( -7.145 3.613 5.691) 9.823 3.491 ( 2.426 8.777 -0.421) 9.116 3.587 ( 7.156 4.277 3.571) 9.070 3.765 ( -4.143 -0.791 -2.405) 4.855 3.977 ( 9.480 0.666 -0.235) 9.506 4.357 ( 3.282 -1.883 4.472) 5.858 4.708 ( -12.695 -3.673 7.807) 15.349 5.199 ( -0.700 -4.428 -5.714) 7.263 5.433 ( -2.559 -3.702 -10.337) 11.274 5.674 ( -6.496 -1.528 -2.110) 6.999 5.863 ( 2.619 6.397 -6.740) 9.654 6.024 ( -1.650 -2.744 -8.588) 9.166 6.628 ( 2.704 8.578 0.888) 9.038 6.823 ( -7.345 -5.144 4.919) 10.227 7.215 ( -5.979 9.015 -2.024) 11.005 7.352 ( -0.366 1.919 2.739) 3.365 7.882 ( -6.807 0.689 4.727) 8.316 8.524 ( -6.516 0.124 6.669) 9.325 9.070 ( -4.440 -1.848 13.607) 14.432 9.751 ( -0.806 9.862 1.562) 10.017 10.548 ( 0.666 5.331 2.415) 5.890 11.152 ( 6.274 -5.379 4.261) 9.297 11.361 ( 3.837 3.309 4.880) 7.034 11.563 ( -0.092 3.019 -8.051) 8.599 11.952 ( 3.391 1.294 -3.787) 5.245 12.317 ( -3.417 -6.076 -0.576) 6.995 12.522 ( 3.578 -3.347 -8.928) 10.184 12.876 ( -1.096 -9.038 6.081) 10.948 13.171 ( -6.546 -6.713 -6.283) 11.287 13.770 ( 0.054 1.417 1.533) 2.089 13.899 ( -2.450 2.422 0.334) 3.461 14.006 ( -3.588 1.378 3.699) 5.334 14.532 ( 5.090 -5.247 -5.849) 9.362 23.168 ( -10.676 -3.066 10.107) 15.018 23.479 ( -0.223 -2.868 15.412) 15.678 24.547 ( 9.946 -9.516 -5.837) 14.951 24.954 ( 4.338 -5.068 -2.578) 7.151 25.342 ( -0.676 20.850 0.339) 20.864 26.199 ( -6.161 9.531 -11.633) 16.252 28.703 ( 0.088 -1.924 1.093) 2.215 28.924 ( 1.856 -4.378 -2.724) 5.480 ======================= Grid point 174 (83/185) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 2.557 32.558 3.660) 32.863 2.004 ( 3.932 0.663 11.553) 12.222 2.283 ( -3.171 14.041 -2.937) 14.691 2.533 ( 0.802 -0.145 7.835) 7.877 2.662 ( 0.586 4.271 5.369) 6.886 2.797 ( -0.889 5.364 -6.956) 8.829 3.161 ( 16.931 2.458 6.646) 18.354 3.214 ( 2.306 0.643 2.944) 3.795 3.553 ( 4.535 5.590 -0.009) 7.198 3.677 ( -3.840 -0.381 -1.764) 4.243 3.768 ( 9.230 4.336 6.710) 12.207 4.152 ( 9.057 2.557 -4.032) 10.238 4.400 ( -1.704 -3.888 7.209) 8.367 4.569 ( -6.150 -1.355 6.072) 8.748 5.133 ( -3.100 -1.072 -6.551) 7.326 5.267 ( -8.635 -2.541 -10.177) 13.586 5.563 ( -3.044 -3.911 -5.599) 7.478 5.876 ( 3.002 6.764 -7.563) 10.582 5.936 ( -2.563 -2.493 -5.967) 6.956 6.654 ( -1.630 6.143 -1.232) 6.473 6.717 ( -5.259 -0.890 4.817) 7.187 7.109 ( -4.408 10.704 -0.021) 11.576 7.363 ( -0.359 1.913 3.152) 3.704 7.770 ( -7.588 0.479 4.310) 8.740 8.464 ( -3.868 1.489 6.079) 7.358 9.072 ( -3.656 -1.696 14.139) 14.702 9.774 ( 1.121 7.495 4.962) 9.058 10.580 ( 1.077 2.854 2.924) 4.226 11.260 ( 3.039 -4.135 0.537) 5.160 11.405 ( -0.563 -0.576 1.482) 1.687 11.564 ( 3.912 4.774 -3.810) 7.253 11.976 ( 2.069 0.363 -6.138) 6.488 12.269 ( -2.811 -4.241 3.527) 6.191 12.566 ( 5.748 -2.918 -7.631) 9.989 12.878 ( -1.865 -7.322 4.764) 8.932 13.046 ( -3.309 -6.695 -3.497) 8.246 13.784 ( 0.672 0.126 1.398) 1.556 13.847 ( -3.214 2.565 0.327) 4.125 13.965 ( -3.268 -0.028 4.148) 5.281 14.564 ( 2.577 -5.770 -7.127) 9.525 23.063 ( -6.364 -0.248 6.902) 9.391 23.562 ( -0.577 -2.969 17.786) 18.041 24.681 ( 7.804 -11.638 -7.181) 15.745 25.012 ( 3.746 -2.665 -3.437) 5.740 25.371 ( 4.485 20.654 -1.152) 21.166 25.970 ( -11.566 8.823 -11.123) 18.312 28.716 ( 0.256 -1.777 1.674) 2.454 28.929 ( 0.761 -4.511 -2.916) 5.425 ======================= Grid point 175 (84/185) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 1.341 33.529 1.894) 33.609 2.006 ( -4.503 4.087 -3.263) 6.901 2.245 ( -5.165 3.791 3.652) 7.375 2.524 ( -4.056 1.065 1.756) 4.546 2.695 ( 1.658 9.027 5.863) 10.891 2.746 ( -1.845 9.743 4.796) 11.015 3.256 ( 3.100 -0.534 2.630) 4.100 3.437 ( 5.977 -3.175 1.437) 6.918 3.622 ( -1.566 0.848 0.227) 1.795 3.649 ( 5.434 4.521 0.386) 7.080 3.927 ( 1.142 5.686 4.111) 7.109 4.154 ( -3.635 0.809 -4.212) 5.622 4.439 ( -7.398 -0.406 8.207) 11.057 4.555 ( 7.974 -3.751 2.981) 9.303 5.005 ( -6.141 1.351 -5.404) 8.290 5.121 ( 0.450 -0.761 -8.646) 8.691 5.505 ( 0.465 -5.422 -7.339) 9.136 5.866 ( 0.942 -2.012 -7.115) 7.454 5.919 ( 4.247 5.476 -6.941) 9.808 6.563 ( -4.621 3.192 -2.374) 6.097 6.684 ( -3.552 5.871 4.921) 8.444 7.072 ( -0.033 10.344 1.094) 10.402 7.367 ( -0.938 2.034 2.699) 3.508 7.680 ( -4.438 0.435 4.778) 6.536 8.448 ( -1.671 1.738 6.124) 6.581 9.088 ( -2.947 -1.962 14.057) 14.496 9.837 ( 1.946 6.237 7.363) 9.843 10.612 ( 0.541 1.030 3.161) 3.368 11.235 ( -3.674 -3.135 -4.662) 6.713 11.420 ( 1.407 -3.380 1.248) 3.868 11.625 ( 3.703 5.862 -1.449) 7.083 11.961 ( 0.418 0.341 -7.456) 7.475 12.242 ( -2.990 -3.984 5.114) 7.139 12.621 ( 3.674 -3.651 -5.459) 7.525 12.885 ( 1.732 -5.005 1.271) 5.447 13.026 ( 1.308 -7.362 1.056) 7.551 13.787 ( -2.508 1.488 -0.350) 2.937 13.817 ( 1.023 -0.063 2.379) 2.590 13.932 ( -2.778 0.293 4.125) 4.982 14.554 ( 0.823 -6.003 -7.736) 9.827 23.010 ( -3.177 1.091 5.764) 6.671 23.645 ( -1.190 -3.166 19.181) 19.477 24.732 ( 2.215 -13.216 -8.114) 15.666 25.044 ( 1.706 -2.340 -3.726) 4.719 25.483 ( 8.061 22.653 -5.994) 24.780 25.704 ( -9.678 8.245 -8.013) 15.028 28.719 ( -1.053 -1.603 1.553) 2.468 28.932 ( 1.452 -4.557 -2.482) 5.389 ======================= Grid point 176 (85/185) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -1.898 32.292 2.164) 32.420 1.894 ( -4.158 6.691 -4.510) 9.077 2.025 ( -17.890 4.177 0.724) 18.385 2.517 ( 1.360 0.113 1.428) 1.975 2.752 ( -0.604 6.546 7.040) 9.632 2.794 ( 3.944 11.741 7.314) 14.384 3.310 ( 0.760 -1.670 2.936) 3.462 3.452 ( -4.167 -0.129 0.089) 4.170 3.524 ( -13.651 2.535 3.153) 14.238 3.732 ( 2.458 1.973 1.115) 3.343 3.855 ( -4.016 5.439 0.440) 6.775 4.031 ( -9.323 1.081 -3.632) 10.064 4.284 ( -9.787 -0.182 6.721) 11.874 4.740 ( 5.787 -3.988 3.103) 7.682 4.931 ( 2.366 0.805 -6.475) 6.940 5.194 ( 10.687 -0.366 -4.162) 11.475 5.498 ( 2.799 -5.408 -7.199) 9.429 5.877 ( 4.983 -3.207 -8.536) 10.392 5.973 ( 5.768 4.584 -8.416) 11.186 6.499 ( -0.649 6.854 -2.723) 7.404 6.633 ( -4.767 6.049 6.231) 9.906 7.107 ( 2.999 8.917 0.459) 9.419 7.368 ( -0.085 2.472 2.589) 3.581 7.665 ( -0.480 0.702 5.224) 5.293 8.464 ( -0.404 1.362 6.487) 6.641 9.116 ( -2.195 -2.927 13.528) 14.014 9.918 ( 2.258 6.546 8.296) 10.806 10.628 ( -0.688 0.631 3.012) 3.153 11.119 ( -5.841 -3.997 -4.845) 8.577 11.452 ( 1.683 -4.037 0.331) 4.386 11.676 ( 2.679 5.944 -1.032) 6.601 11.913 ( -1.364 1.894 -6.952) 7.333 12.209 ( -3.172 -5.086 2.833) 6.630 12.645 ( 1.528 -4.788 -1.759) 5.325 12.941 ( 3.369 -3.628 -1.594) 5.201 13.096 ( 5.538 -7.732 2.091) 9.738 13.741 ( -2.333 1.459 0.649) 2.827 13.858 ( 1.488 -0.351 2.082) 2.583 13.914 ( -1.175 1.566 3.716) 4.200 14.509 ( -1.193 -5.901 -7.937) 9.962 23.013 ( -0.043 1.173 6.499) 6.604 23.733 ( -0.518 -4.175 20.800) 21.221 24.677 ( -2.953 -14.643 -9.067) 17.474 25.029 ( -1.051 -4.813 -4.695) 6.805 25.425 ( -6.450 20.423 -5.229) 22.046 25.710 ( 10.709 15.150 -9.135) 20.680 28.696 ( -2.090 -1.554 1.296) 2.910 28.954 ( 2.050 -4.538 -2.157) 5.427 ======================= Grid point 177 (86/185) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -10.432 25.182 4.700) 27.660 1.686 ( -18.487 11.641 5.936) 22.639 1.860 ( 2.007 7.787 -3.554) 8.792 2.554 ( 1.665 0.824 0.791) 2.019 2.756 ( -4.913 3.467 6.576) 8.911 2.898 ( -2.492 9.381 10.135) 14.033 3.104 ( -19.704 7.516 2.689) 21.260 3.308 ( -3.164 -1.290 2.997) 4.545 3.415 ( -4.726 2.938 -0.718) 5.611 3.712 ( -7.737 2.246 2.047) 8.312 3.808 ( -5.334 2.011 -1.096) 5.805 3.868 ( 0.054 2.078 -1.211) 2.406 4.213 ( -2.175 1.256 5.689) 6.219 4.766 ( -0.795 -1.180 -0.135) 1.429 5.007 ( 6.263 -4.466 -2.083) 7.969 5.405 ( 13.087 -0.832 -2.512) 13.352 5.516 ( 2.759 -4.402 -5.994) 7.932 5.941 ( 6.779 -2.680 -10.722) 12.965 6.019 ( 4.526 0.725 -10.114) 11.104 6.486 ( -1.166 13.229 -0.711) 13.299 6.621 ( 1.212 1.499 6.049) 6.349 7.177 ( 4.682 7.895 -0.685) 9.204 7.400 ( 1.859 2.530 3.054) 4.380 7.705 ( 1.658 1.259 4.782) 5.215 8.501 ( 0.563 0.629 7.164) 7.214 9.153 ( -1.598 -4.878 12.724) 13.721 10.000 ( 2.039 8.102 6.598) 10.646 10.622 ( -1.393 1.345 2.775) 3.383 10.982 ( -6.754 -3.375 -2.814) 8.058 11.491 ( 2.858 -5.656 -1.322) 6.474 11.718 ( 2.290 4.593 1.232) 5.278 11.847 ( -1.852 3.358 -5.386) 6.612 12.149 ( -4.574 -5.006 -0.473) 6.798 12.666 ( 1.105 -5.277 0.770) 5.446 12.964 ( 0.837 -3.384 -4.547) 5.730 13.236 ( 8.092 -8.342 1.287) 11.693 13.714 ( -1.107 1.513 1.194) 2.222 13.872 ( -1.058 1.325 3.709) 4.078 13.946 ( 2.454 2.417 1.996) 3.981 14.423 ( -3.653 -5.201 -8.043) 10.251 23.075 ( 2.443 -0.046 7.651) 8.031 23.872 ( 3.123 -7.918 24.109) 25.568 24.544 ( -5.917 -14.826 -8.299) 17.992 24.944 ( -5.061 -10.474 -7.084) 13.620 25.337 ( -1.372 21.652 -0.551) 21.702 25.844 ( 10.388 22.354 -13.877) 28.287 28.671 ( -1.142 -1.713 1.397) 2.488 28.967 ( 0.332 -4.392 -2.646) 5.138 ======================= Grid point 178 (87/185) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -15.176 13.270 11.765) 23.342 1.447 ( -14.820 20.411 14.169) 28.931 1.917 ( 5.508 7.407 -3.371) 9.826 2.366 ( -33.027 5.643 16.706) 37.440 2.624 ( 0.934 4.316 1.198) 4.576 2.819 ( -2.958 7.512 6.330) 10.259 3.106 ( 0.903 6.609 -4.653) 8.133 3.193 ( -4.109 -0.886 -0.874) 4.294 3.345 ( -3.077 2.681 5.161) 6.579 3.560 ( -6.786 9.750 2.508) 12.141 3.752 ( -1.998 1.007 -0.457) 2.284 3.890 ( 1.357 0.153 -0.497) 1.453 4.222 ( -1.145 2.201 5.242) 5.799 4.795 ( 5.487 -1.390 -0.486) 5.681 5.106 ( 5.286 -7.203 0.924) 8.982 5.526 ( 2.214 -3.917 -5.987) 7.490 5.614 ( 9.942 -0.745 0.259) 9.974 5.972 ( 2.941 0.660 -11.119) 11.520 6.016 ( 0.494 -3.817 -10.909) 11.568 6.458 ( -0.912 14.452 0.599) 14.493 6.721 ( 4.803 -1.042 6.071) 7.811 7.265 ( 5.713 7.173 -1.963) 9.378 7.449 ( 1.175 1.475 2.138) 2.851 7.772 ( 2.796 2.098 4.789) 5.929 8.563 ( 1.622 -0.586 8.044) 8.227 9.193 ( -1.272 -8.433 11.425) 14.257 10.045 ( 0.237 9.852 1.030) 9.909 10.623 ( 0.071 2.117 2.774) 3.490 10.856 ( -6.005 -0.340 1.225) 6.139 11.516 ( 0.913 -7.247 -6.101) 9.517 11.779 ( 0.556 -1.787 1.824) 2.613 11.817 ( 3.928 7.667 -2.004) 8.845 12.036 ( -6.776 -3.618 1.056) 7.754 12.690 ( 0.664 -5.529 1.537) 5.777 12.925 ( -1.446 -3.477 -6.895) 7.856 13.374 ( 6.329 -9.334 -0.742) 11.301 13.717 ( 0.826 2.113 1.477) 2.707 13.879 ( -0.241 3.027 4.005) 5.026 14.000 ( 1.940 3.347 2.118) 4.411 14.297 ( -5.323 -3.106 -7.055) 9.368 23.171 ( 3.151 -1.854 8.093) 8.881 24.113 ( 7.073 -19.744 27.565) 34.636 24.399 ( -4.717 -12.675 -6.862) 15.165 24.764 ( -9.697 -15.682 -10.507) 21.221 25.356 ( 2.666 23.038 1.348) 23.231 25.944 ( 9.910 32.102 -15.051) 36.814 28.675 ( 0.719 -1.968 1.533) 2.596 28.924 ( -3.461 -3.640 -3.482) 6.112 ======================= Grid point 179 (88/185) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -8.925 8.617 21.751) 25.040 1.239 ( -17.644 15.140 18.115) 29.473 1.935 ( -16.782 13.549 23.352) 31.789 2.033 ( 1.385 10.012 4.034) 10.882 2.655 ( 0.892 4.736 0.270) 4.826 2.804 ( -2.025 6.470 2.882) 7.367 2.899 ( -9.072 -1.207 -10.494) 13.924 3.273 ( 2.701 3.063 0.394) 4.103 3.359 ( 1.448 3.406 9.671) 10.355 3.503 ( -0.287 17.790 -2.641) 17.987 3.716 ( -1.967 -0.099 1.815) 2.678 3.899 ( 0.308 -0.819 -1.935) 2.124 4.220 ( -1.768 1.306 5.409) 5.839 4.951 ( 11.064 -2.499 -4.622) 12.248 5.223 ( 6.661 -9.883 2.362) 12.150 5.523 ( 0.107 -4.431 -4.340) 6.203 5.761 ( 5.591 -0.955 1.466) 5.859 5.910 ( -5.007 -3.312 -7.300) 9.451 5.946 ( 0.784 3.974 -8.940) 9.815 6.469 ( 1.846 13.697 -0.139) 13.822 6.832 ( 3.008 -3.741 7.649) 9.031 7.349 ( 4.489 6.262 -2.978) 8.260 7.447 ( -2.032 0.738 -0.007) 2.162 7.855 ( 2.852 2.397 6.208) 7.240 8.636 ( 1.031 -2.241 8.406) 8.761 9.212 ( -3.428 -11.832 9.161) 15.352 10.016 ( -2.026 11.081 -5.285) 12.443 10.621 ( -2.439 2.267 -0.149) 3.333 10.820 ( 0.365 3.387 7.352) 8.103 11.421 ( -7.661 -6.775 -6.863) 12.317 11.755 ( -2.601 2.223 -2.452) 4.209 11.824 ( -0.296 6.998 -6.400) 9.488 12.111 ( 11.173 -10.141 10.580) 18.428 12.691 ( -1.404 -4.769 -0.911) 5.054 12.855 ( -1.811 -4.522 -5.518) 7.360 13.441 ( 2.071 -9.632 -3.120) 10.334 13.755 ( 2.233 2.393 -0.046) 3.273 13.907 ( 0.924 4.880 3.176) 5.896 14.036 ( 0.675 2.757 4.378) 5.217 14.193 ( -1.772 0.715 -2.855) 3.435 23.266 ( 2.207 -3.186 8.492) 9.335 24.163 ( -17.745 -36.697 11.318) 42.304 24.397 ( 0.201 -5.053 -5.572) 7.524 24.585 ( 3.986 -16.485 -0.118) 16.961 25.420 ( 2.671 23.266 0.522) 23.425 26.075 ( 13.184 36.431 -12.196) 40.618 28.711 ( 2.422 -1.815 1.675) 3.459 28.819 ( -5.252 -1.995 -2.489) 6.145 ======================= Grid point 180 (89/185) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 2.942 12.999 20.603) 24.538 1.471 ( 0.158 15.197 17.438) 23.131 2.194 ( 4.030 2.888 4.639) 6.789 2.325 ( -6.116 18.609 15.614) 25.049 2.601 ( -1.445 -0.057 -4.226) 4.467 2.899 ( -2.762 8.700 8.041) 12.165 3.007 ( 0.514 16.509 -4.019) 16.999 3.305 ( -0.975 0.375 6.516) 6.599 3.537 ( 3.232 1.316 6.817) 7.658 3.727 ( 0.166 4.200 -1.961) 4.638 3.818 ( 2.661 0.772 -0.321) 2.789 3.884 ( -1.180 12.448 -9.502) 15.704 4.226 ( -2.755 0.177 5.314) 5.988 4.908 ( -2.958 -12.182 -1.376) 12.611 5.093 ( 1.818 -5.271 -1.576) 5.794 5.425 ( 2.424 -3.542 -8.945) 9.921 5.802 ( 0.768 -1.252 0.692) 1.624 5.855 ( 3.248 0.096 -0.733) 3.331 5.999 ( 2.261 2.317 -7.322) 8.006 6.746 ( -1.027 -6.540 4.430) 7.965 6.838 ( 1.200 17.361 1.397) 17.458 7.427 ( -2.657 2.540 0.428) 3.701 7.531 ( 1.215 8.966 -3.256) 9.616 7.943 ( -0.392 -0.455 5.007) 5.043 8.627 ( -3.430 0.252 9.774) 10.361 9.034 ( -3.350 -4.855 10.914) 12.406 10.132 ( -0.994 9.427 -6.934) 11.744 10.623 ( -0.253 0.360 3.691) 3.717 10.950 ( -1.083 4.744 7.004) 8.529 11.290 ( -1.209 3.925 -0.044) 4.108 11.705 ( -0.841 -2.891 2.180) 3.717 11.941 ( 1.799 6.753 -6.796) 9.748 12.115 ( 4.396 -7.619 -1.209) 8.878 12.535 ( -2.148 -6.118 -1.848) 6.743 12.670 ( -1.265 -8.442 -4.857) 9.821 13.190 ( -0.912 -14.072 -5.994) 15.323 13.766 ( 0.163 -0.480 0.881) 1.016 14.009 ( -1.888 0.579 2.744) 3.380 14.155 ( 1.453 4.906 2.922) 5.892 14.272 ( 4.160 3.048 -1.474) 5.363 23.227 ( -1.768 -6.941 9.007) 11.508 23.447 ( -14.276 -9.823 13.024) 21.677 24.235 ( 1.003 -6.001 -4.262) 7.428 24.481 ( 10.470 -12.527 0.698) 16.341 25.900 ( -1.379 24.380 0.310) 24.421 26.625 ( 2.843 14.944 -12.904) 19.948 28.695 ( -2.821 -2.732 -0.735) 3.995 28.734 ( 3.588 -3.347 0.804) 4.972 ======================= Grid point 181 (90/185) ======================= q-point: ( 0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 9.907 17.308 14.595) 24.713 1.713 ( 18.008 10.138 17.342) 26.978 2.252 ( -1.290 0.046 7.206) 7.320 2.370 ( 3.942 13.793 9.574) 17.246 2.628 ( 7.350 1.529 -6.997) 10.263 2.901 ( -3.524 12.671 11.628) 17.555 2.971 ( -0.979 17.314 -4.546) 17.927 3.346 ( 0.187 1.167 9.073) 9.150 3.606 ( 0.308 4.337 5.664) 7.140 3.714 ( 0.418 5.894 -3.848) 7.051 3.814 ( -2.090 -2.544 -1.105) 3.473 3.877 ( 5.249 10.979 -7.189) 14.134 4.233 ( 0.548 -3.022 6.616) 7.294 4.770 ( -11.222 -9.950 5.574) 16.000 5.120 ( 3.055 -3.390 -5.718) 7.316 5.408 ( 1.029 -4.629 -10.542) 11.559 5.772 ( -4.272 -0.602 -0.150) 4.317 5.911 ( 2.972 0.923 -2.683) 4.109 6.010 ( 2.711 -0.520 -7.879) 8.349 6.735 ( -2.837 -8.455 4.322) 9.910 6.866 ( 1.093 17.973 1.432) 18.063 7.391 ( -1.582 2.823 0.929) 3.367 7.512 ( -1.388 11.081 -2.609) 11.468 7.935 ( -3.097 -2.421 3.854) 5.505 8.600 ( -5.153 1.453 9.597) 10.989 9.030 ( -3.836 -3.341 11.703) 12.761 10.058 ( -3.158 13.672 -4.757) 14.816 10.660 ( 1.023 4.580 3.924) 6.118 10.966 ( 0.520 0.356 5.430) 5.467 11.332 ( 3.516 3.990 4.405) 6.906 11.677 ( -1.593 1.585 -3.211) 3.919 11.960 ( 3.673 4.104 -6.382) 8.430 12.161 ( 1.336 -11.113 -0.549) 11.206 12.468 ( -1.033 -4.162 -8.347) 9.384 12.656 ( -0.298 -10.861 2.718) 11.199 13.111 ( -3.853 -13.147 -6.705) 15.253 13.771 ( -0.110 -0.298 0.876) 0.932 13.991 ( -1.787 1.693 2.497) 3.506 14.125 ( -4.997 4.076 2.473) 6.907 14.362 ( 5.267 -2.237 -2.324) 6.176 23.188 ( -7.652 -6.775 10.111) 14.377 23.359 ( -2.991 -3.905 11.950) 12.923 24.285 ( 6.271 -5.359 -3.504) 8.962 24.664 ( 9.728 -11.620 -1.671) 15.247 25.843 ( -4.431 24.449 0.593) 24.855 26.563 ( -2.399 12.467 -11.210) 16.937 28.657 ( -1.179 -2.915 0.229) 3.153 28.794 ( 2.671 -4.930 -0.569) 5.636 ======================= Grid point 182 (91/185) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 9.400 14.225 8.507) 19.055 2.080 ( 4.775 17.296 12.190) 21.692 2.314 ( 6.553 -5.499 9.602) 12.860 2.550 ( 12.294 8.128 4.496) 15.409 2.761 ( 8.794 6.166 -5.759) 12.187 2.842 ( -3.221 18.391 -3.291) 18.959 3.006 ( 3.889 9.167 8.037) 12.796 3.359 ( -5.326 5.151 9.331) 11.915 3.652 ( 2.538 6.778 4.592) 8.571 3.721 ( -1.305 1.551 0.885) 2.212 3.733 ( -0.390 4.722 -4.385) 6.456 3.998 ( 10.242 1.578 -2.478) 10.655 4.303 ( 2.242 -3.796 4.605) 6.375 4.612 ( -9.267 -5.884 7.569) 13.334 5.134 ( 2.564 -2.108 -8.215) 8.860 5.342 ( -2.032 -5.422 -11.310) 12.706 5.654 ( -7.755 -0.276 -1.667) 7.937 5.925 ( -0.269 -1.616 -4.324) 4.624 5.996 ( 1.213 1.733 -7.073) 7.383 6.688 ( -4.606 -7.957 3.671) 9.899 6.896 ( 1.415 18.277 1.309) 18.378 7.376 ( -0.997 4.114 1.257) 4.416 7.463 ( -2.413 12.284 -1.538) 12.613 7.872 ( -6.032 -2.197 3.650) 7.385 8.552 ( -5.208 3.016 8.616) 10.510 9.023 ( -3.938 -2.995 12.346) 13.300 9.991 ( -2.160 14.258 -1.046) 14.459 10.673 ( -1.717 6.751 3.532) 7.811 11.050 ( 5.183 -4.544 4.528) 8.247 11.413 ( 0.601 1.736 5.682) 5.971 11.635 ( 0.991 4.205 -6.104) 7.478 11.988 ( 3.240 2.212 -7.337) 8.320 12.170 ( -0.389 -8.241 1.526) 8.390 12.437 ( 2.921 -5.437 -8.353) 10.386 12.675 ( 0.007 -11.056 4.783) 12.046 12.988 ( -5.444 -11.996 -6.642) 14.753 13.773 ( -0.227 -0.256 1.137) 1.187 13.967 ( -2.351 2.864 2.077) 4.247 14.032 ( -6.161 1.707 2.582) 6.895 14.416 ( 2.595 -6.140 -3.942) 7.744 23.113 ( -5.851 -2.198 8.461) 10.519 23.406 ( -0.304 -4.529 14.095) 14.808 24.403 ( 8.658 -5.280 -5.052) 11.330 24.812 ( 8.234 -9.087 -4.021) 12.905 25.777 ( -2.696 23.255 1.069) 23.435 26.416 ( -7.505 11.844 -9.879) 17.152 28.653 ( 0.139 -3.085 1.092) 3.275 28.821 ( 1.030 -5.885 -1.628) 6.192 ======================= Grid point 183 (92/185) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 8.098 12.015 3.224) 14.843 2.084 ( -4.555 10.067 4.824) 12.057 2.480 ( 4.191 4.689 8.161) 10.303 2.677 ( -5.487 18.190 -1.500) 19.058 2.812 ( 4.865 12.372 9.522) 16.352 2.911 ( 5.896 5.866 -4.531) 9.471 3.199 ( 12.574 1.906 2.775) 13.017 3.288 ( -5.231 6.774 7.610) 11.453 3.622 ( -4.321 -2.183 -0.138) 4.844 3.712 ( 3.265 6.809 -0.223) 7.555 3.881 ( 10.062 7.156 5.254) 13.418 4.191 ( 11.388 0.170 -4.868) 12.386 4.297 ( -4.949 -6.332 6.183) 10.140 4.542 ( -3.233 -1.166 5.108) 6.156 5.125 ( 1.568 0.216 -9.100) 9.237 5.208 ( -5.771 -3.348 -11.040) 12.899 5.501 ( -6.504 -2.019 -3.997) 7.896 5.849 ( -3.712 -4.720 -5.409) 8.082 6.009 ( 3.293 5.124 -5.236) 8.032 6.617 ( -4.932 -5.513 2.986) 7.977 6.926 ( 0.933 18.025 1.126) 18.084 7.360 ( -1.210 11.963 0.306) 12.028 7.423 ( -1.516 6.435 0.703) 6.648 7.769 ( -7.091 -0.810 4.335) 8.350 8.513 ( -3.714 3.640 7.276) 8.944 9.023 ( -3.622 -3.510 12.916) 13.866 9.973 ( -0.241 12.824 2.401) 13.049 10.655 ( -1.926 4.730 3.537) 6.212 11.161 ( 3.873 -5.740 1.641) 7.117 11.381 ( -4.555 -2.239 1.596) 5.320 11.674 ( 4.689 6.193 -2.385) 8.125 11.995 ( 2.093 1.864 -8.074) 8.546 12.167 ( -1.305 -5.833 3.077) 6.722 12.477 ( 4.941 -6.612 -6.202) 10.325 12.707 ( 1.076 -9.548 3.837) 10.347 12.867 ( -3.620 -11.624 -4.731) 13.062 13.780 ( 0.381 -0.103 1.522) 1.572 13.907 ( -5.311 3.072 1.512) 6.319 13.965 ( -2.702 -0.104 3.109) 4.121 14.422 ( 1.045 -8.480 -5.346) 10.079 23.066 ( -3.953 0.810 6.958) 8.043 23.484 ( -0.439 -4.999 16.530) 17.275 24.515 ( 6.636 -5.724 -7.482) 11.523 24.916 ( 5.985 -7.165 -6.001) 11.098 25.777 ( 2.534 21.203 0.795) 21.369 26.196 ( -10.633 13.599 -8.681) 19.323 28.668 ( 0.504 -3.116 1.451) 3.474 28.821 ( 0.270 -6.247 -1.901) 6.536 ======================= Grid point 184 (93/185) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -3.673 10.093 0.495) 10.752 2.092 ( 1.356 5.627 1.557) 5.994 2.493 ( -6.850 26.177 -1.731) 27.114 2.597 ( -1.295 5.787 4.426) 7.399 2.894 ( -0.222 10.789 6.621) 12.660 2.954 ( 0.664 10.866 4.773) 11.886 3.270 ( -0.261 2.641 5.866) 6.438 3.398 ( 4.866 -0.701 3.900) 6.275 3.588 ( -0.082 -2.342 0.862) 2.497 3.778 ( 3.469 6.305 0.420) 7.208 4.053 ( 2.639 6.812 1.535) 7.465 4.154 ( -4.791 -1.055 -2.001) 5.298 4.434 ( 4.845 -1.641 2.124) 5.539 4.461 ( -3.215 -4.279 2.828) 6.053 5.047 ( -3.567 2.590 -8.947) 9.974 5.117 ( 2.679 0.867 -8.262) 8.729 5.401 ( -1.150 -4.761 -6.227) 7.922 5.775 ( -0.439 -5.982 -5.757) 8.313 6.046 ( 3.765 6.039 -5.323) 8.887 6.554 ( -3.397 -3.058 2.850) 5.387 6.933 ( -0.957 18.601 1.095) 18.658 7.337 ( -0.849 15.424 -1.791) 15.550 7.421 ( 0.206 3.830 3.248) 5.026 7.686 ( -4.407 0.095 5.291) 6.887 8.498 ( -1.973 3.491 6.365) 7.523 9.029 ( -3.465 -4.290 13.093) 14.207 10.007 ( 1.766 11.230 4.748) 12.320 10.647 ( -1.149 2.613 3.863) 4.803 11.146 ( -4.876 -5.874 -3.120) 8.247 11.353 ( 0.696 -3.741 1.763) 4.194 11.741 ( 3.488 5.582 -1.354) 6.720 11.984 ( 1.618 2.249 -7.578) 8.068 12.148 ( -3.030 -5.131 3.488) 6.905 12.514 ( 1.721 -7.505 -3.895) 8.629 12.765 ( 4.657 -7.245 -0.445) 8.624 12.832 ( 1.095 -12.158 -0.281) 12.211 13.809 ( 1.917 0.373 1.840) 2.684 13.822 ( -4.660 1.172 1.607) 5.067 13.944 ( -1.519 0.801 3.071) 3.519 14.401 ( 0.136 -9.491 -6.146) 11.308 23.044 ( -2.465 2.632 6.888) 7.775 23.561 ( -1.447 -5.409 18.246) 19.086 24.544 ( 1.376 -6.524 -9.744) 11.807 24.953 ( 1.951 -7.003 -7.681) 10.576 25.873 ( 6.184 17.265 -0.321) 18.342 25.974 ( -6.982 19.067 -7.019) 21.484 28.675 ( -0.715 -2.851 1.255) 3.197 28.821 ( 1.076 -6.525 -1.593) 6.802 ======================= Grid point 185 (94/185) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -5.647 8.263 -0.366) 10.015 2.042 ( -6.037 5.684 1.477) 8.422 2.319 ( -11.191 26.075 1.874) 28.437 2.612 ( 2.181 11.724 -0.555) 11.938 2.904 ( -2.444 8.572 6.091) 10.796 3.020 ( 2.572 10.474 8.144) 13.515 3.298 ( -0.557 0.798 4.641) 4.742 3.455 ( -0.421 0.726 4.139) 4.223 3.548 ( -8.137 0.434 2.079) 8.409 3.801 ( -3.695 3.755 3.805) 6.498 3.977 ( -3.624 7.095 -3.071) 8.538 4.042 ( -9.115 -0.267 -3.246) 9.680 4.292 ( -7.074 1.071 3.284) 7.872 4.630 ( 6.601 -7.116 2.376) 9.993 4.976 ( 0.485 3.743 -8.902) 9.669 5.191 ( 9.768 0.257 -5.098) 11.021 5.387 ( 2.977 -5.462 -6.597) 9.068 5.778 ( 4.553 -6.347 -7.626) 10.916 6.079 ( 2.949 5.678 -6.201) 8.910 6.539 ( 0.097 -1.555 3.503) 3.834 6.903 ( -2.827 19.892 1.113) 20.122 7.323 ( 1.117 10.578 -2.906) 11.026 7.458 ( 1.223 8.726 4.368) 9.835 7.674 ( -0.225 -0.018 5.501) 5.505 8.507 ( -0.822 3.165 6.189) 7.000 9.037 ( -3.362 -5.281 12.684) 14.145 10.082 ( 3.319 9.960 5.139) 11.689 10.652 ( -0.773 1.844 3.886) 4.370 11.017 ( -6.760 -6.199 -2.054) 9.399 11.377 ( 1.247 -3.649 -0.707) 3.921 11.775 ( 0.541 3.668 -1.040) 3.851 11.978 ( 1.733 4.000 -6.236) 7.609 12.098 ( -3.576 -4.645 2.068) 6.216 12.515 ( 0.481 -8.401 -1.269) 8.510 12.851 ( 3.764 -5.812 -2.565) 7.384 12.892 ( 6.220 -12.933 0.223) 14.353 13.760 ( -3.021 0.633 1.475) 3.421 13.866 ( 2.878 1.095 2.078) 3.715 13.946 ( 0.065 1.620 3.285) 3.663 14.360 ( -0.946 -9.175 -6.435) 11.247 23.052 ( -1.074 3.006 7.833) 8.458 23.629 ( -2.267 -6.433 19.753) 20.898 24.466 ( -3.392 -7.475 -10.756) 13.530 24.896 ( -3.369 -8.767 -9.238) 13.174 25.803 ( -4.601 19.639 -1.514) 20.228 26.070 ( 12.454 19.893 -5.638) 24.137 28.654 ( -1.960 -2.612 0.927) 3.394 28.844 ( 1.889 -6.564 -1.215) 6.938 ======================= Grid point 186 (95/185) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -15.356 11.112 2.733) 19.151 1.996 ( -1.026 7.943 2.211) 8.308 2.117 ( -13.181 21.016 5.494) 25.408 2.675 ( 4.877 13.266 -1.376) 14.201 2.847 ( -8.834 5.826 5.338) 11.852 3.108 ( -2.143 11.417 10.790) 15.854 3.219 ( -11.418 1.198 -1.642) 11.598 3.325 ( -7.296 5.798 8.725) 12.766 3.457 ( -3.895 2.318 0.188) 4.537 3.730 ( -5.721 -0.876 7.595) 9.549 3.846 ( -7.258 -0.586 -6.235) 9.586 3.965 ( 1.995 9.255 -2.254) 9.733 4.246 ( -0.603 1.779 3.851) 4.285 4.701 ( 0.300 -6.242 3.461) 7.143 4.961 ( 2.775 0.887 -7.613) 8.151 5.367 ( 10.078 -4.064 -6.679) 12.755 5.433 ( 6.329 -2.425 -2.996) 7.410 5.838 ( 6.254 -6.633 -9.306) 13.027 6.078 ( 0.977 4.330 -7.099) 8.373 6.592 ( 3.109 -1.845 4.053) 5.431 6.853 ( -2.861 21.095 0.751) 21.302 7.352 ( 3.616 8.016 -2.544) 9.154 7.499 ( 0.701 8.828 3.589) 9.555 7.728 ( 2.727 1.199 5.331) 6.107 8.533 ( -0.172 2.810 6.859) 7.414 9.042 ( -3.361 -6.312 11.858) 13.847 10.166 ( 3.135 8.126 2.339) 9.018 10.654 ( -1.090 1.304 2.882) 3.346 10.905 ( -5.008 -3.630 2.054) 6.518 11.398 ( 2.274 -3.731 -2.586) 5.078 11.741 ( -4.421 -1.599 2.333) 5.249 11.974 ( 1.416 8.220 -5.407) 9.940 12.060 ( -1.084 -2.638 -0.765) 2.953 12.523 ( 0.501 -9.237 0.698) 9.277 12.872 ( 1.060 -6.393 -5.125) 8.262 13.026 ( 7.914 -12.633 -0.986) 14.940 13.729 ( -1.302 0.534 1.653) 2.171 13.920 ( 1.845 2.718 2.251) 3.983 13.992 ( 2.737 2.285 3.474) 4.978 14.298 ( -1.895 -7.213 -6.456) 9.864 23.087 ( -0.037 1.641 8.633) 8.788 23.696 ( -2.672 -9.519 21.985) 24.106 24.330 ( -4.693 -7.733 -9.809) 13.343 24.737 ( -7.966 -10.975 -10.429) 17.107 25.766 ( 0.523 22.827 0.555) 22.840 26.269 ( 13.394 20.209 -8.651) 25.742 28.628 ( -1.240 -2.546 1.063) 3.025 28.862 ( 0.534 -6.206 -1.432) 6.391 ======================= Grid point 187 (96/185) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -15.242 14.739 8.613) 22.885 1.839 ( -20.263 16.477 10.286) 28.070 2.039 ( 1.871 4.850 1.452) 5.397 2.596 ( -19.567 15.371 11.513) 27.417 2.756 ( 3.004 10.897 0.258) 11.306 2.959 ( -7.722 3.729 3.275) 9.179 3.157 ( -9.108 3.357 0.869) 9.746 3.302 ( 4.592 9.091 2.418) 10.468 3.373 ( -5.066 1.216 5.324) 7.449 3.697 ( -2.223 3.143 8.133) 8.998 3.761 ( -0.121 -2.426 -4.301) 4.939 3.987 ( 2.175 11.065 -5.693) 12.632 4.268 ( -0.789 1.977 4.615) 5.082 4.735 ( 3.338 -5.748 2.716) 7.181 4.991 ( 3.830 -2.998 -3.955) 6.269 5.428 ( 3.572 -5.781 -8.004) 10.500 5.598 ( 9.541 -0.796 -0.172) 9.575 5.877 ( 2.812 -6.347 -8.714) 11.142 6.047 ( 0.107 3.588 -7.326) 8.159 6.672 ( 2.679 -3.784 4.322) 6.338 6.817 ( -1.379 21.455 0.435) 21.503 7.416 ( 4.435 6.444 -2.003) 8.076 7.515 ( -0.412 6.315 1.267) 6.454 7.817 ( 3.399 2.755 5.594) 7.102 8.573 ( 0.058 2.053 8.209) 8.462 9.042 ( -3.415 -6.978 10.959) 13.433 10.199 ( 0.621 5.603 -3.115) 6.441 10.645 ( -1.312 -1.437 2.266) 2.987 10.871 ( -1.363 2.884 6.652) 7.377 11.422 ( 1.774 -2.007 -5.962) 6.536 11.674 ( -4.911 -7.501 8.895) 12.630 11.981 ( 2.298 8.738 -3.492) 9.687 12.029 ( -1.121 2.403 -4.700) 5.396 12.538 ( 0.332 -9.852 2.011) 10.060 12.835 ( -1.099 -5.884 -8.223) 10.171 13.146 ( 5.958 -13.723 -2.629) 15.190 13.730 ( 0.263 0.300 1.934) 1.975 13.972 ( 2.766 4.312 2.774) 5.825 14.049 ( 0.685 1.893 2.873) 3.508 14.239 ( -0.418 -2.196 -5.189) 5.650 23.138 ( 0.391 -1.038 8.618) 8.689 23.746 ( -6.605 -15.791 22.972) 28.648 24.231 ( 0.180 -6.736 -6.624) 9.448 24.514 ( -9.722 -11.268 -10.572) 18.255 25.812 ( 3.447 24.084 1.219) 24.360 26.454 ( 12.530 20.660 -11.101) 26.591 28.629 ( 0.659 -2.596 1.419) 3.031 28.838 ( -2.265 -5.068 -1.934) 5.878 ======================= Grid point 188 (97/185) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -12.277 13.598 15.785) 24.182 1.525 ( -17.306 14.316 15.167) 27.101 2.101 ( 3.453 4.743 3.086) 6.629 2.391 ( -11.537 21.059 17.319) 29.606 2.714 ( -7.597 0.568 -0.551) 7.638 2.902 ( 0.968 6.017 -2.679) 6.657 3.026 ( -3.940 12.207 1.993) 12.981 3.317 ( -3.378 1.481 4.598) 5.894 3.428 ( 4.607 3.527 6.889) 9.007 3.721 ( 0.192 4.972 3.868) 6.302 3.766 ( 2.687 -1.081 -2.280) 3.686 3.962 ( -0.787 11.613 -8.776) 14.577 4.254 ( -2.835 2.134 4.180) 5.483 4.857 ( 7.650 -8.641 -0.973) 11.582 5.051 ( 3.720 -5.748 -0.766) 6.890 5.434 ( 1.761 -4.676 -7.619) 9.112 5.739 ( 5.642 -1.218 0.684) 5.812 5.849 ( -0.841 -2.800 -4.291) 5.192 6.013 ( 0.677 3.363 -7.337) 8.099 6.726 ( 0.593 -5.654 4.656) 7.348 6.813 ( 0.620 19.817 0.655) 19.837 7.463 ( -0.290 2.989 0.441) 3.035 7.511 ( 1.757 7.614 -3.114) 8.411 7.898 ( 1.956 2.090 5.814) 6.480 8.615 ( -1.018 0.773 9.373) 9.460 9.037 ( -3.372 -6.574 10.467) 12.812 10.173 ( -0.028 5.586 -6.400) 8.495 10.630 ( -1.805 -2.154 2.808) 3.973 10.910 ( 0.583 5.801 7.920) 9.834 11.365 ( -3.924 1.458 -5.070) 6.575 11.683 ( -0.328 -8.357 8.240) 11.741 11.974 ( -1.031 6.481 -6.738) 9.406 12.031 ( 4.740 2.693 -1.550) 5.668 12.551 ( -0.465 -9.344 2.680) 9.731 12.751 ( -2.373 -5.888 -9.756) 11.640 13.205 ( 2.545 -14.327 -4.574) 15.254 13.752 ( 0.751 -0.369 1.543) 1.756 14.032 ( -2.079 -2.298 4.348) 5.339 14.064 ( 4.716 8.218 0.462) 9.486 14.238 ( 1.651 3.361 -1.792) 4.151 23.190 ( 0.152 -4.013 8.436) 9.344 23.655 ( -15.079 -17.433 16.962) 28.618 24.289 ( 4.516 -6.701 -3.473) 8.796 24.321 ( -2.031 -10.923 -4.538) 12.001 25.881 ( 2.868 24.161 0.800) 24.344 26.588 ( 8.894 18.509 -12.862) 24.231 28.667 ( 2.605 -2.645 1.566) 4.030 28.767 ( -3.910 -3.326 -1.761) 5.427 ======================= Grid point 189 (98/185) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 4.423 16.563 14.608) 22.523 1.771 ( -0.568 15.659 11.949) 19.706 2.201 ( -0.145 -1.789 5.555) 5.837 2.431 ( 0.457 -4.042 -3.861) 5.609 2.737 ( -3.197 9.337 7.145) 12.184 3.114 ( -3.024 13.609 15.305) 20.702 3.247 ( 0.582 0.719 3.256) 3.385 3.329 ( 2.282 5.710 4.545) 7.646 3.574 ( 1.237 7.626 -1.809) 7.935 3.717 ( 0.373 -5.443 0.020) 5.456 3.841 ( -0.578 2.294 8.029) 8.370 4.086 ( -0.641 6.055 -6.750) 9.090 4.253 ( -3.223 1.843 -1.353) 3.952 4.641 ( -3.244 -14.037 3.490) 14.823 5.068 ( 4.355 2.042 -8.849) 10.072 5.349 ( 2.459 -4.474 -10.792) 11.939 5.790 ( 1.316 0.078 0.743) 1.513 5.852 ( 3.525 -0.625 -0.222) 3.587 6.062 ( -0.215 4.816 -4.079) 6.316 6.567 ( -1.999 -10.190 3.241) 10.879 7.232 ( 1.116 20.142 -0.246) 20.174 7.498 ( -2.642 5.355 0.169) 5.974 7.664 ( 3.084 3.522 -0.723) 4.737 7.930 ( -3.052 0.041 1.716) 3.502 8.678 ( -3.331 4.479 10.954) 12.294 8.958 ( -2.430 -3.655 10.936) 11.784 10.282 ( 2.774 6.489 -3.283) 7.783 10.578 ( 1.985 -4.110 4.376) 6.323 11.087 ( -1.250 8.745 8.827) 12.488 11.380 ( -2.448 4.623 1.770) 5.523 11.608 ( 3.179 -5.438 5.944) 8.661 11.965 ( -0.954 -6.281 -5.656) 8.506 12.107 ( 0.650 5.753 -9.915) 11.481 12.421 ( -0.357 -3.888 3.795) 5.445 12.533 ( -2.099 -5.708 -12.819) 14.188 12.909 ( -0.333 -14.488 -6.134) 15.737 13.776 ( 0.063 1.551 0.913) 1.800 13.966 ( -0.700 -3.658 2.606) 4.545 14.256 ( 0.231 4.794 1.613) 5.063 14.329 ( 1.190 2.359 0.120) 2.645 23.131 ( -3.365 -2.463 8.246) 9.241 23.306 ( -7.632 -6.114 10.752) 14.534 24.140 ( 2.440 -3.570 -2.742) 5.120 24.280 ( 9.052 -8.554 -0.592) 12.468 26.335 ( -1.158 20.585 -0.178) 20.619 26.820 ( 0.221 5.607 -9.067) 10.663 28.642 ( -2.132 -2.611 -0.448) 3.401 28.668 ( 1.830 -3.323 0.350) 3.809 ======================= Grid point 190 (99/185) ======================= q-point: ( 0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 5.215 9.447 10.914) 15.347 1.905 ( 18.528 14.977 13.192) 27.233 2.218 ( -0.320 -2.629 4.519) 5.238 2.517 ( 9.168 0.451 -1.360) 9.279 2.748 ( 1.828 10.314 3.775) 11.134 3.125 ( -3.523 10.708 11.935) 16.417 3.281 ( 0.987 6.145 0.786) 6.273 3.419 ( 2.606 11.576 7.041) 13.798 3.606 ( 2.749 0.495 2.888) 4.018 3.703 ( -0.387 -7.063 -1.736) 7.284 3.860 ( -1.367 5.721 4.092) 7.165 4.072 ( 2.391 4.354 -8.054) 9.463 4.180 ( -3.614 -0.392 4.178) 5.538 4.569 ( -6.678 -10.115 6.278) 13.650 5.096 ( 4.269 0.821 -9.920) 10.831 5.315 ( 0.442 -4.913 -11.675) 12.674 5.774 ( -3.370 0.963 -0.047) 3.505 5.899 ( 1.388 -1.810 -1.825) 2.921 6.046 ( 0.941 4.388 -3.643) 5.780 6.546 ( -2.190 -10.417 3.132) 11.096 7.256 ( 1.522 20.256 -0.120) 20.313 7.461 ( -1.542 4.691 0.377) 4.952 7.704 ( 1.336 6.988 -0.207) 7.117 7.870 ( -4.104 -2.997 1.072) 5.194 8.665 ( -4.543 4.814 10.866) 12.723 8.964 ( -3.499 -3.818 11.269) 12.402 10.294 ( 0.166 10.729 -2.956) 11.130 10.666 ( 4.420 -2.931 4.847) 7.185 11.067 ( -4.642 9.039 5.711) 11.656 11.399 ( 1.053 2.528 6.093) 6.680 11.675 ( 2.028 -1.299 0.771) 2.529 11.931 ( 0.534 -8.935 -2.536) 9.303 12.081 ( 2.388 3.512 -9.714) 10.602 12.401 ( -2.376 -1.472 -5.221) 5.922 12.461 ( 0.201 -9.302 -2.731) 9.697 12.846 ( -2.801 -13.792 -6.730) 15.600 13.779 ( -0.223 1.307 0.861) 1.581 13.966 ( -0.783 -3.384 2.198) 4.110 14.210 ( -5.760 4.374 2.043) 7.516 14.342 ( -0.068 -0.430 -0.635) 0.770 23.109 ( -3.606 -1.635 8.182) 9.089 23.274 ( -2.467 -4.797 10.349) 11.670 24.215 ( 6.973 -1.803 -2.513) 7.629 24.456 ( 10.637 -9.757 -1.892) 14.557 26.279 ( -4.577 20.487 0.113) 20.993 26.742 ( -3.579 5.727 -8.274) 10.680 28.607 ( -1.297 -2.100 0.166) 2.474 28.700 ( 1.304 -4.775 -0.285) 4.959 ======================= Grid point 191 (100/185) ======================= q-point: ( 0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 4.426 7.073 7.053) 10.925 2.203 ( -0.421 -3.850 4.009) 5.574 2.361 ( 15.534 11.085 12.154) 22.626 2.712 ( 12.165 4.602 2.110) 13.177 2.870 ( 9.423 9.904 2.343) 13.870 3.136 ( 0.368 6.739 4.615) 8.176 3.259 ( -2.142 15.702 -3.204) 16.168 3.461 ( -3.246 6.555 8.873) 11.499 3.641 ( -2.577 -1.571 3.072) 4.307 3.754 ( 5.897 -2.068 0.184) 6.252 3.879 ( 3.492 8.250 3.403) 9.583 4.034 ( 0.194 1.935 -4.512) 4.913 4.214 ( 1.370 -5.251 3.857) 6.658 4.502 ( -3.460 -5.341 6.961) 9.432 5.116 ( 4.185 0.086 -11.061) 11.826 5.243 ( -1.165 -4.579 -12.217) 13.099 5.670 ( -7.445 1.985 -1.614) 7.872 5.865 ( -3.268 -3.580 -4.029) 6.304 6.059 ( 2.163 4.675 -2.124) 5.572 6.521 ( -2.416 -9.261 3.152) 10.077 7.285 ( 1.716 20.472 -0.136) 20.544 7.447 ( -0.401 4.080 1.412) 4.337 7.702 ( -1.069 10.746 -2.176) 11.016 7.803 ( -4.412 -4.423 3.495) 7.159 8.633 ( -4.926 5.050 9.732) 12.020 8.954 ( -4.227 -4.429 11.276) 12.831 10.267 ( -1.281 14.032 -1.607) 14.181 10.750 ( 0.851 -0.129 4.445) 4.528 11.028 ( -1.354 3.581 4.408) 5.838 11.410 ( -4.559 -2.317 5.127) 7.242 11.714 ( 4.118 3.772 -3.153) 6.413 11.970 ( 3.607 -5.850 1.312) 6.997 12.082 ( 2.714 0.644 -8.648) 9.086 12.332 ( -0.403 -4.429 -7.513) 8.731 12.479 ( 1.382 -9.026 2.277) 9.410 12.742 ( -4.282 -12.669 -6.754) 14.982 13.780 ( -0.185 1.184 1.154) 1.663 13.961 ( -1.065 -2.835 2.031) 3.647 14.092 ( -7.800 3.991 1.788) 8.942 14.315 ( -2.047 -4.308 -1.580) 5.025 23.096 ( -2.506 0.609 7.733) 8.152 23.312 ( -0.388 -5.212 12.153) 13.229 24.345 ( 8.739 -0.867 -4.431) 9.836 24.630 ( 9.996 -9.408 -4.396) 14.414 26.196 ( -4.115 19.879 0.798) 20.316 26.605 ( -6.776 6.937 -7.188) 12.070 28.598 ( -0.075 -2.286 0.767) 2.413 28.711 ( 0.304 -5.473 -0.855) 5.548 ======================= Grid point 192 (101/185) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 2.189 2.958 5.076) 6.270 2.180 ( -2.381 -0.278 1.338) 2.745 2.619 ( 6.862 8.852 10.184) 15.138 2.935 ( 8.594 4.676 2.023) 9.991 3.035 ( 3.423 8.878 7.538) 12.139 3.148 ( -3.096 16.602 -1.496) 16.955 3.281 ( 9.038 8.495 0.699) 12.424 3.421 ( -4.775 5.910 6.834) 10.219 3.575 ( -4.286 -0.088 1.064) 4.417 3.821 ( 2.399 3.052 -1.622) 4.208 4.034 ( 8.711 8.351 5.225) 13.150 4.109 ( 8.364 -7.623 0.503) 11.328 4.194 ( -3.202 -4.502 -0.362) 5.537 4.518 ( -0.271 -2.202 3.512) 4.154 5.131 ( 3.776 0.172 -10.994) 11.626 5.153 ( -0.750 -2.034 -12.484) 12.671 5.503 ( -8.834 2.295 -2.984) 9.603 5.755 ( -5.447 -4.897 -4.811) 8.764 6.098 ( 2.941 4.835 -1.031) 5.753 6.493 ( -2.531 -7.230 3.503) 8.423 7.313 ( 1.371 20.412 -0.312) 20.460 7.463 ( 0.809 4.061 3.039) 5.136 7.642 ( -3.190 8.173 -3.878) 9.593 7.752 ( -3.959 1.115 5.413) 6.799 8.597 ( -4.114 4.988 8.189) 10.434 8.937 ( -4.160 -5.446 11.270) 13.190 10.244 ( -0.727 14.944 0.556) 14.972 10.740 ( -3.426 3.124 4.085) 6.179 11.065 ( 1.744 -3.413 1.998) 4.323 11.311 ( -6.923 -5.155 2.880) 9.099 11.781 ( 3.777 4.674 -1.590) 6.216 12.047 ( 4.522 1.996 -3.546) 6.083 12.066 ( -0.623 -3.253 -3.779) 5.026 12.325 ( 2.814 -7.986 -3.522) 9.171 12.530 ( 2.780 -9.223 1.149) 9.701 12.638 ( -2.546 -10.853 -5.409) 12.390 13.789 ( 0.577 1.267 1.680) 2.182 13.944 ( -3.486 -1.143 1.767) 4.072 13.970 ( -4.830 2.563 1.951) 5.805 14.262 ( -2.204 -7.756 -2.851) 8.553 23.099 ( -1.885 2.730 7.859) 8.530 23.379 ( -0.343 -5.830 14.451) 15.586 24.457 ( 6.363 -0.560 -7.437) 9.803 24.757 ( 7.045 -8.833 -7.096) 13.341 26.159 ( -0.328 18.033 1.335) 18.085 26.434 ( -7.555 9.923 -5.978) 13.830 28.608 ( 0.536 -2.722 0.965) 2.938 28.705 ( -0.221 -5.626 -0.993) 5.717 ======================= Grid point 193 (102/185) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -2.430 2.456 3.568) 4.966 2.155 ( -1.293 1.140 0.910) 1.949 2.723 ( -1.343 7.313 6.090) 9.611 3.018 ( 0.616 16.199 0.653) 16.224 3.077 ( -2.549 12.389 0.208) 12.650 3.103 ( -0.075 5.912 8.796) 10.598 3.378 ( -2.844 5.820 5.301) 8.370 3.417 ( 1.430 4.790 6.653) 8.322 3.566 ( 1.884 1.263 1.855) 2.930 3.853 ( 1.567 0.827 -0.562) 1.859 4.098 ( -2.826 -2.373 0.239) 3.698 4.194 ( 3.679 5.765 0.106) 6.840 4.310 ( 9.350 -7.641 -0.321) 12.080 4.452 ( -6.994 -0.509 -1.518) 7.174 5.081 ( 0.636 1.390 -10.372) 10.484 5.151 ( 4.418 1.241 -11.156) 12.063 5.357 ( -4.233 1.015 -3.760) 5.752 5.654 ( -1.744 -6.391 -5.127) 8.377 6.149 ( 2.971 5.090 -0.796) 5.947 6.472 ( -1.898 -5.205 4.260) 6.989 7.326 ( 0.105 20.477 -0.134) 20.478 7.479 ( -1.868 4.165 1.215) 4.724 7.598 ( 1.577 5.664 0.036) 5.879 7.714 ( -3.108 5.803 4.136) 7.774 8.577 ( -2.547 4.635 6.994) 8.768 8.925 ( -3.841 -6.417 11.303) 13.553 10.249 ( 0.538 13.632 1.982) 13.786 10.703 ( -2.814 2.485 4.322) 5.725 11.033 ( -5.371 -5.012 -2.057) 7.629 11.267 ( 0.104 -5.589 4.224) 7.006 11.823 ( 2.007 3.269 -1.672) 4.184 11.999 ( -2.911 -2.615 -4.950) 6.310 12.113 ( 3.280 2.737 -1.429) 4.505 12.364 ( 1.886 -6.647 -1.743) 7.126 12.551 ( 1.466 -13.740 -1.864) 13.943 12.653 ( 5.126 -6.865 -2.031) 8.805 13.820 ( 1.029 1.232 2.051) 2.605 13.854 ( -4.031 2.066 1.163) 4.676 13.953 ( -0.697 -0.077 2.608) 2.701 14.213 ( -1.182 -9.689 -3.756) 10.459 23.111 ( -1.754 4.331 8.807) 9.970 23.447 ( -1.469 -6.385 16.360) 17.623 24.476 ( 0.864 -0.670 -10.251) 10.309 24.794 ( 1.648 -9.054 -9.424) 13.172 26.187 ( 0.789 15.349 1.293) 15.424 26.310 ( -0.605 14.177 -4.623) 14.924 28.618 ( -0.226 -2.782 0.834) 2.913 28.700 ( 0.543 -5.788 -0.823) 5.871 ======================= Grid point 194 (103/185) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -4.270 4.529 2.501) 6.709 2.119 ( -3.338 2.765 2.750) 5.133 2.633 ( -10.457 10.263 4.271) 15.262 2.986 ( -3.236 18.225 0.745) 18.525 3.028 ( -4.792 1.670 3.186) 5.992 3.187 ( 4.010 10.841 7.969) 14.039 3.359 ( -2.685 5.152 4.555) 7.382 3.474 ( 2.298 1.115 2.926) 3.884 3.572 ( -4.334 2.563 5.878) 7.739 3.844 ( -4.075 -0.001 1.999) 4.538 4.043 ( -11.426 1.603 -1.682) 11.660 4.097 ( -2.475 5.020 -4.195) 6.995 4.306 ( -4.092 -0.231 0.766) 4.170 4.483 ( 5.554 -7.886 0.154) 9.647 5.053 ( 1.795 3.693 -10.252) 11.043 5.193 ( 6.744 -0.935 -9.165) 11.418 5.329 ( 3.345 0.688 -3.799) 5.109 5.650 ( 4.244 -6.892 -6.692) 10.502 6.184 ( 1.242 5.329 -1.686) 5.725 6.479 ( 0.050 -4.249 5.145) 6.673 7.306 ( -2.288 20.098 -0.045) 20.227 7.450 ( 0.162 4.811 -1.165) 4.952 7.666 ( 0.186 -0.363 4.992) 5.008 7.697 ( 2.376 12.512 1.712) 12.850 8.581 ( -1.115 4.387 6.562) 7.972 8.919 ( -3.472 -6.795 11.134) 13.498 10.277 ( 1.119 9.975 1.470) 10.145 10.678 ( -2.770 -0.637 2.901) 4.061 10.924 ( -4.567 -1.396 1.369) 4.968 11.302 ( 1.288 -4.817 1.670) 5.258 11.820 ( -2.772 1.465 -2.542) 4.037 11.937 ( -0.390 -4.856 -0.554) 4.903 12.157 ( 3.050 6.076 -3.021) 7.439 12.366 ( 0.086 -4.712 -2.213) 5.207 12.611 ( 4.855 -14.945 0.400) 15.719 12.737 ( 5.583 -6.766 -4.565) 9.889 13.781 ( -2.830 1.876 1.042) 3.551 13.888 ( 2.933 0.981 2.093) 3.734 13.970 ( 1.249 0.792 2.934) 3.286 14.180 ( -0.123 -9.172 -4.070) 10.035 23.128 ( -1.976 4.942 9.963) 11.295 23.498 ( -3.062 -7.067 17.748) 19.347 24.385 ( -3.977 -1.175 -11.411) 12.141 24.712 ( -4.484 -9.913 -10.834) 15.354 26.169 ( -0.905 17.820 0.333) 17.846 26.397 ( 9.870 13.081 -3.553) 16.768 28.605 ( -1.415 -2.255 0.525) 2.713 28.719 ( 1.669 -6.089 -0.502) 6.333 ======================= Grid point 195 (104/185) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -9.524 9.576 3.907) 14.060 2.098 ( -1.036 3.541 4.069) 5.492 2.416 ( -16.616 11.958 5.995) 21.331 2.899 ( -8.819 3.059 3.053) 9.822 2.968 ( -1.790 5.759 1.507) 6.216 3.275 ( -10.350 4.258 1.652) 11.313 3.305 ( 4.314 12.902 4.328) 14.276 3.471 ( -9.561 8.042 8.963) 15.376 3.514 ( -0.240 3.386 1.050) 3.553 3.705 ( -9.986 -0.441 5.679) 11.496 3.832 ( -6.019 -0.224 -2.856) 6.666 4.113 ( 3.784 4.683 -3.480) 6.954 4.261 ( -1.199 -0.385 2.340) 2.657 4.549 ( 0.994 -8.716 3.225) 9.346 5.027 ( 1.663 4.956 -10.468) 11.701 5.272 ( 6.356 -4.803 -8.912) 11.954 5.430 ( 8.975 1.530 -2.298) 9.390 5.709 ( 5.890 -6.611 -7.547) 11.634 6.173 ( -0.883 5.496 -2.800) 6.231 6.524 ( 1.486 -4.965 4.922) 7.147 7.261 ( -2.090 18.887 -0.571) 19.011 7.473 ( 2.499 6.320 -0.482) 6.813 7.649 ( -2.103 3.443 1.997) 4.501 7.802 ( 4.975 7.768 4.220) 10.144 8.605 ( -0.394 4.412 7.078) 8.350 8.919 ( -3.011 -6.404 10.690) 12.820 10.293 ( 0.214 5.343 -0.947) 5.431 10.618 ( -4.357 -5.396 0.746) 6.976 10.912 ( 0.272 4.998 6.613) 8.294 11.336 ( 2.129 -3.747 1.083) 4.444 11.706 ( -7.450 -0.829 -0.387) 7.506 11.973 ( 3.099 -3.946 -0.632) 5.057 12.190 ( 2.678 9.757 -4.720) 11.165 12.356 ( -0.039 -5.885 -0.931) 5.958 12.693 ( 3.570 -12.421 -1.913) 13.065 12.807 ( 5.629 -9.326 -5.754) 12.320 13.752 ( -1.044 2.098 1.192) 2.629 13.943 ( 1.713 -0.706 2.330) 2.977 14.034 ( 3.661 2.004 2.735) 4.990 14.170 ( 1.820 -5.589 -3.694) 6.942 23.143 ( -2.499 4.220 10.334) 11.438 23.524 ( -4.963 -8.392 18.654) 21.048 24.239 ( -4.882 -1.965 -10.065) 11.358 24.532 ( -8.358 -10.281 -11.002) 17.222 26.187 ( 2.473 20.446 0.678) 20.606 26.573 ( 11.391 10.760 -5.272) 16.532 28.585 ( -0.837 -1.573 0.642) 1.894 28.742 ( 0.893 -6.074 -0.620) 6.171 ======================= Grid point 196 (105/185) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -11.183 15.216 6.506) 19.973 2.075 ( -16.593 8.297 5.709) 19.410 2.132 ( -5.594 6.432 7.305) 11.226 2.729 ( -10.891 -1.447 2.320) 11.229 2.924 ( -6.984 -1.893 1.284) 7.349 3.074 ( -6.979 14.806 4.529) 16.983 3.335 ( -6.454 11.062 3.887) 13.384 3.373 ( -6.233 1.363 10.929) 12.655 3.499 ( 2.089 10.778 -2.439) 11.246 3.643 ( 0.023 -4.443 3.307) 5.539 3.789 ( -0.586 2.626 3.986) 4.809 4.162 ( 3.293 5.653 -6.415) 9.162 4.276 ( 0.553 -1.654 3.561) 3.965 4.577 ( 0.713 -9.611 4.192) 10.510 5.013 ( 3.143 4.524 -9.879) 11.311 5.323 ( 4.766 -5.038 -9.200) 11.521 5.590 ( 8.818 0.244 -0.913) 8.868 5.766 ( 4.097 -5.257 -5.676) 8.754 6.134 ( -1.291 5.633 -3.517) 6.765 6.568 ( 0.457 -6.800 3.936) 7.870 7.230 ( -0.901 19.281 -0.691) 19.315 7.524 ( 2.671 6.422 0.663) 6.987 7.618 ( -1.703 2.875 -0.428) 3.368 7.901 ( 3.012 5.705 4.498) 7.865 8.638 ( -0.612 4.413 8.434) 9.538 8.926 ( -2.495 -5.371 10.283) 11.867 10.273 ( -0.642 2.914 -3.530) 4.622 10.559 ( -2.644 -6.468 2.277) 7.349 10.971 ( 1.209 6.807 8.170) 10.702 11.402 ( 4.250 -3.124 2.078) 5.669 11.572 ( -7.588 -0.366 2.406) 7.969 12.012 ( 1.845 -3.732 -2.836) 5.037 12.193 ( 1.080 10.792 -7.501) 13.187 12.364 ( 0.818 -6.056 1.783) 6.365 12.701 ( 0.450 -8.019 -7.929) 11.286 12.880 ( 4.896 -13.366 -4.540) 14.941 13.752 ( 0.133 2.132 1.429) 2.570 13.969 ( -0.427 -3.423 2.749) 4.411 14.113 ( 4.249 3.994 0.498) 5.853 14.219 ( 4.536 -0.344 -0.879) 4.634 23.147 ( -2.936 2.183 9.534) 10.212 23.507 ( -8.180 -10.010 17.785) 21.987 24.134 ( -0.944 -3.212 -6.297) 7.131 24.321 ( -7.949 -8.902 -9.450) 15.222 26.252 ( 3.967 21.349 0.499) 21.720 26.732 ( 9.461 8.519 -7.246) 14.649 28.588 ( 0.724 -1.339 0.971) 1.805 28.738 ( -1.011 -5.252 -0.984) 5.438 ======================= Grid point 197 (106/185) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -12.698 17.398 10.072) 23.777 1.801 ( -11.479 14.474 11.360) 21.687 2.159 ( 0.813 1.326 5.673) 5.883 2.541 ( -9.301 -5.634 -1.814) 11.024 2.788 ( -7.198 6.257 6.710) 11.661 3.075 ( -0.217 10.778 8.898) 13.978 3.244 ( -3.768 7.349 4.529) 9.419 3.323 ( -4.323 0.564 7.436) 8.620 3.549 ( 3.270 11.087 -2.579) 11.844 3.684 ( 1.838 -4.440 2.827) 5.576 3.812 ( -0.408 2.934 6.409) 7.060 4.144 ( -0.974 6.101 -6.471) 8.947 4.291 ( -0.422 0.303 -0.440) 0.681 4.630 ( 2.054 -13.256 3.238) 13.799 5.034 ( 4.485 3.255 -8.936) 10.515 5.348 ( 3.626 -4.470 -9.715) 11.293 5.722 ( 5.710 -0.357 0.179) 5.724 5.802 ( 2.566 -2.291 -1.954) 3.956 6.094 ( -0.874 5.447 -3.913) 6.763 6.580 ( -1.249 -8.758 3.400) 9.478 7.221 ( 0.252 19.910 -0.500) 19.918 7.544 ( -2.215 6.785 1.682) 7.332 7.612 ( 2.925 1.556 -2.420) 4.103 7.949 ( -0.269 3.060 3.481) 4.643 8.667 ( -1.787 4.308 9.974) 11.011 8.940 ( -2.104 -4.205 10.408) 11.421 10.256 ( 1.444 3.725 -3.836) 5.538 10.546 ( -0.598 -5.827 3.653) 6.903 11.036 ( 0.842 7.254 9.071) 11.645 11.453 ( -4.139 6.109 -2.169) 7.691 11.510 ( 2.489 -8.244 8.918) 12.398 12.006 ( -0.052 -3.958 -5.032) 6.402 12.155 ( 0.026 7.934 -9.187) 12.139 12.396 ( 0.852 -4.321 3.275) 5.488 12.636 ( -1.578 -6.003 -11.536) 13.100 12.921 ( 2.404 -14.590 -5.160) 15.661 13.766 ( 0.400 1.843 1.260) 2.268 13.967 ( -1.075 -3.956 2.757) 4.940 14.198 ( 4.567 5.566 0.268) 7.205 14.293 ( 2.982 2.034 0.735) 3.683 23.142 ( -2.949 -0.536 8.501) 9.014 23.416 ( -10.703 -9.224 13.909) 19.826 24.147 ( 3.361 -6.126 -2.045) 7.281 24.176 ( -1.650 -5.777 -5.695) 8.278 26.319 ( 2.729 21.046 0.051) 21.222 26.823 ( 5.016 6.498 -8.734) 11.986 28.620 ( 2.020 -1.994 1.041) 3.023 28.698 ( -2.504 -3.751 -1.104) 4.643 ======================= Grid point 198 (107/185) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 1.528 15.459 7.425) 17.217 2.048 ( 0.698 13.208 8.814) 15.894 2.115 ( -1.814 -7.737 4.292) 9.032 2.282 ( 2.501 -10.882 3.733) 11.773 2.908 ( -0.195 9.842 5.829) 11.441 3.111 ( 1.488 -10.260 6.103) 12.030 3.349 ( -3.011 8.017 8.670) 12.187 3.418 ( 2.834 1.351 6.424) 7.150 3.659 ( -2.037 2.029 5.317) 6.045 3.769 ( 0.113 -3.606 3.471) 5.007 3.846 ( -2.068 12.310 -0.495) 12.492 4.097 ( -1.139 -8.822 -10.488) 13.752 4.290 ( -1.686 5.344 3.508) 6.612 4.424 ( -1.918 -8.341 5.300) 10.067 5.147 ( 3.713 5.451 -11.963) 13.660 5.254 ( 2.725 -5.426 -11.925) 13.382 5.804 ( 2.210 1.212 0.528) 2.575 5.831 ( 3.105 -1.429 0.027) 3.418 6.189 ( -1.521 8.367 -0.755) 8.538 6.370 ( -2.069 -10.177 1.449) 10.486 7.494 ( 1.546 7.381 -0.822) 7.586 7.587 ( 0.633 -1.491 -2.036) 2.602 7.753 ( -1.019 10.640 2.389) 10.952 7.913 ( -3.069 -3.920 -0.244) 4.984 8.778 ( -3.206 5.583 11.336) 13.037 8.879 ( -2.759 -4.773 11.182) 12.467 10.392 ( 4.221 5.314 0.504) 6.805 10.490 ( 3.621 -4.931 3.182) 6.896 11.256 ( 0.104 8.371 11.071) 13.880 11.391 ( -1.435 -4.888 10.915) 12.046 11.599 ( 1.586 6.282 -2.798) 7.057 11.782 ( -1.816 -11.181 -4.534) 12.201 12.226 ( -1.117 6.583 -10.247) 12.230 12.351 ( -1.142 -5.817 -6.760) 8.991 12.509 ( -0.652 4.636 -7.444) 8.793 12.663 ( 0.052 -10.782 -5.960) 12.320 13.822 ( -0.146 3.163 0.799) 3.266 13.891 ( -0.343 -3.917 1.351) 4.157 14.327 ( -0.269 2.554 1.690) 3.074 14.352 ( 0.043 -0.061 1.298) 1.300 23.131 ( -3.979 2.157 7.957) 9.154 23.201 ( -5.199 -4.846 8.904) 11.393 24.108 ( 4.561 0.340 -1.687) 4.875 24.155 ( 6.805 -4.540 -1.157) 8.261 26.666 ( -1.023 13.506 -2.162) 13.716 26.836 ( -0.716 -4.046 -5.260) 6.675 28.607 ( -0.950 -0.783 -0.187) 1.245 28.617 ( 0.189 -1.778 -0.026) 1.788 ======================= Grid point 199 (108/185) ======================= q-point: ( 0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 3.617 6.845 6.845) 10.334 2.105 ( 0.946 -1.601 3.732) 4.170 2.238 ( 12.889 10.551 8.903) 18.887 2.439 ( 11.967 -8.063 3.117) 14.762 2.967 ( 2.963 12.081 7.288) 14.417 3.177 ( 0.995 -8.239 8.198) 11.665 3.343 ( -1.114 7.811 3.647) 8.692 3.503 ( 2.435 -7.752 -0.281) 8.130 3.678 ( 1.779 7.546 8.991) 11.872 3.779 ( -1.181 14.900 -6.294) 16.218 3.836 ( 1.123 -6.996 9.308) 11.698 4.022 ( -0.643 -8.868 -7.544) 11.660 4.259 ( -3.832 7.341 4.029) 9.209 4.404 ( -3.381 -7.516 5.933) 10.154 5.143 ( 3.055 3.678 -12.178) 13.083 5.224 ( 1.213 -4.611 -12.325) 13.215 5.807 ( -2.021 2.288 -0.566) 3.104 5.855 ( -0.427 -2.584 -1.476) 3.006 6.170 ( -0.233 8.236 -0.109) 8.240 6.348 ( -1.233 -10.068 1.748) 10.292 7.517 ( 1.170 6.516 -0.019) 6.620 7.577 ( -0.021 3.133 -2.473) 3.992 7.761 ( -0.245 4.553 3.597) 5.808 7.855 ( -2.568 -1.606 -1.309) 3.299 8.768 ( -4.528 5.761 11.192) 13.377 8.877 ( -4.129 -5.346 11.205) 13.084 10.467 ( 3.244 7.544 0.665) 8.239 10.587 ( 4.638 -5.117 3.656) 7.814 11.257 ( -5.687 9.823 6.683) 13.172 11.398 ( -3.687 -3.669 7.963) 9.512 11.662 ( 5.376 1.326 0.349) 5.548 11.756 ( 2.220 -8.099 -1.355) 8.506 12.160 ( -0.051 5.213 -9.878) 11.169 12.292 ( -0.428 -8.226 -9.071) 12.253 12.452 ( -1.997 6.125 -4.362) 7.780 12.611 ( -1.981 -10.361 -6.344) 12.309 13.821 ( -0.377 3.052 0.753) 3.166 13.891 ( -0.453 -4.052 1.168) 4.242 14.282 ( -5.322 3.105 1.776) 6.413 14.326 ( -3.520 -1.477 0.948) 3.933 23.117 ( -2.145 2.235 7.812) 8.404 23.184 ( -2.033 -4.378 8.762) 10.003 24.219 ( 8.327 2.242 -1.941) 8.839 24.301 ( 9.760 -6.312 -1.841) 11.768 26.605 ( -4.236 13.119 -1.823) 13.906 26.766 ( -3.873 -3.516 -4.840) 7.127 28.588 ( -0.815 0.311 -0.018) 0.872 28.621 ( 0.170 -3.144 -0.162) 3.153 ======================= Grid point 200 (109/185) ======================= q-point: ( 0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 1.602 3.534 5.229) 6.512 2.139 ( 0.358 -2.992 3.721) 4.788 2.560 ( 14.295 9.408 8.158) 18.958 2.700 ( 13.527 -4.645 3.074) 14.629 3.096 ( 4.937 10.862 10.862) 16.135 3.226 ( 1.340 -0.325 5.063) 5.247 3.354 ( 0.767 3.860 1.201) 4.115 3.524 ( 3.076 -9.216 -2.806) 10.113 3.703 ( -2.681 10.680 -1.834) 11.163 3.792 ( 0.993 5.875 6.554) 8.857 3.902 ( 4.979 -2.331 -2.323) 5.969 4.025 ( 1.749 -7.929 0.811) 8.160 4.217 ( -2.394 8.834 4.863) 10.364 4.387 ( -1.176 -7.482 6.253) 9.821 5.132 ( 3.272 1.551 -12.355) 12.875 5.173 ( 0.874 -2.772 -12.537) 12.869 5.724 ( -6.105 3.470 -2.294) 7.387 5.795 ( -4.680 -3.772 -3.293) 6.854 6.178 ( 0.825 7.674 0.955) 7.777 6.343 ( -0.669 -9.202 2.417) 9.537 7.531 ( -0.060 4.712 0.948) 4.807 7.572 ( 1.120 4.785 -2.139) 5.360 7.758 ( -2.723 2.924 3.380) 5.233 7.822 ( -0.293 0.845 -0.544) 1.046 8.737 ( -5.075 5.819 10.152) 12.755 8.852 ( -4.883 -5.988 10.578) 13.100 10.510 ( 1.168 11.027 0.514) 11.101 10.679 ( 2.930 -6.522 3.418) 7.925 11.160 ( -7.027 8.694 3.965) 11.861 11.320 ( -7.887 -7.105 3.870) 11.299 11.773 ( 6.131 2.923 0.244) 6.796 11.854 ( 6.396 -5.519 3.517) 9.151 12.120 ( 1.227 4.012 -8.640) 9.605 12.241 ( 0.415 -7.267 -9.933) 12.314 12.404 ( -1.140 3.335 -1.027) 3.671 12.533 ( -2.641 -9.032 -6.100) 11.214 13.820 ( -0.167 2.993 0.964) 3.149 13.889 ( -0.301 -4.054 1.116) 4.216 14.169 ( -7.671 3.946 1.487) 8.754 14.242 ( -5.884 -3.673 0.465) 6.952 23.135 ( -0.913 3.250 8.400) 9.053 23.214 ( -0.435 -4.845 10.072) 11.185 24.369 ( 9.392 3.325 -4.147) 10.791 24.469 ( 10.053 -7.049 -4.236) 12.988 26.511 ( -4.812 12.406 -1.014) 13.345 26.653 ( -5.583 -2.337 -3.950) 7.227 28.579 ( -0.249 0.553 0.220) 0.645 28.621 ( -0.110 -3.691 -0.307) 3.705 ======================= Grid point 201 (110/185) ======================= q-point: ( 0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 0.439 1.709 4.202) 4.558 2.155 ( -0.454 -1.646 2.933) 3.394 2.787 ( 6.141 8.361 7.831) 12.998 2.918 ( 7.510 -4.705 4.444) 9.914 3.180 ( -0.022 6.064 6.987) 9.251 3.280 ( -0.931 -3.328 5.372) 6.387 3.438 ( 7.213 10.825 2.607) 13.267 3.579 ( 2.367 0.224 0.719) 2.484 3.648 ( -3.613 10.737 2.748) 11.657 3.812 ( 0.766 -4.338 -2.140) 4.897 3.983 ( 6.129 -2.389 -1.885) 6.843 4.045 ( 0.772 -6.110 -0.893) 6.223 4.256 ( 3.987 9.837 3.123) 11.064 4.429 ( 1.496 -7.293 2.758) 7.939 5.130 ( 2.200 0.036 -11.317) 11.529 5.134 ( 3.722 -0.332 -12.314) 12.869 5.573 ( -8.212 4.490 -3.597) 10.027 5.663 ( -6.960 -4.797 -4.334) 9.499 6.208 ( 1.509 6.717 2.035) 7.179 6.348 ( -0.402 -7.703 3.349) 8.409 7.531 ( -0.315 4.349 0.897) 4.451 7.591 ( 1.191 0.653 -0.053) 1.359 7.712 ( -3.127 8.904 1.714) 9.591 7.821 ( -0.340 0.417 0.899) 1.047 8.699 ( -4.556 5.750 8.844) 11.491 8.819 ( -4.669 -6.604 9.801) 12.707 10.520 ( -0.280 13.228 0.522) 13.241 10.717 ( -0.664 -6.361 2.457) 6.851 11.072 ( -4.570 4.377 3.152) 7.069 11.191 ( -7.370 -6.942 3.657) 10.764 11.862 ( 3.276 4.475 -0.464) 5.565 11.964 ( 2.860 -5.725 0.209) 6.404 12.116 ( 2.794 3.528 -5.594) 7.180 12.209 ( 1.796 -5.338 -6.851) 8.869 12.403 ( 0.611 -1.009 -0.455) 1.264 12.476 ( 0.801 -6.580 -4.624) 8.082 13.830 ( 0.670 2.899 1.281) 3.240 13.894 ( 0.028 -3.433 1.164) 3.625 14.039 ( -7.042 4.277 1.265) 8.336 14.133 ( -5.700 -5.727 -0.270) 8.085 23.169 ( -0.730 4.537 9.662) 10.699 23.268 ( -0.346 -5.636 12.008) 13.269 24.489 ( 6.619 3.861 -7.311) 10.591 24.598 ( 7.033 -7.328 -7.278) 12.495 26.438 ( -2.465 10.459 -0.107) 10.746 26.537 ( -4.641 0.296 -2.870) 5.465 28.580 ( 0.149 0.094 0.316) 0.362 28.615 ( -0.244 -3.520 -0.310) 3.542 ======================= Grid point 202 (111/185) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -1.194 1.488 3.548) 4.029 2.158 ( -0.909 -0.625 2.577) 2.803 2.872 ( -1.274 7.952 6.854) 10.575 3.008 ( -0.541 -5.596 5.582) 7.923 3.217 ( 0.321 5.059 4.536) 6.802 3.284 ( -1.209 -0.723 5.320) 5.504 3.508 ( -0.148 10.344 3.092) 10.797 3.575 ( -4.617 5.432 7.679) 10.478 3.635 ( -0.828 6.058 1.406) 6.274 3.796 ( -0.514 -6.791 -2.474) 7.246 4.073 ( 4.726 0.889 -0.262) 4.816 4.150 ( 9.558 -6.593 -0.151) 11.612 4.319 ( 0.472 5.451 -3.225) 6.351 4.411 ( -3.583 -3.759 -3.696) 6.374 5.113 ( 2.510 1.828 -10.418) 10.871 5.145 ( 3.756 -1.339 -11.182) 11.872 5.428 ( -4.196 5.259 -4.027) 7.841 5.536 ( -3.079 -5.944 -4.652) 8.152 6.251 ( 1.605 5.667 2.716) 6.486 6.364 ( -0.204 -5.966 4.270) 7.340 7.531 ( -0.331 3.656 0.900) 3.779 7.587 ( -2.468 -1.810 1.362) 3.350 7.697 ( 1.064 12.656 1.410) 12.779 7.820 ( 0.003 0.726 0.732) 1.031 8.673 ( -3.152 5.540 7.902) 10.152 8.794 ( -3.710 -6.962 9.333) 12.221 10.503 ( -1.920 12.179 0.138) 12.330 10.684 ( -3.824 -5.726 1.215) 6.992 11.012 ( -3.553 3.826 2.547) 5.810 11.137 ( -1.110 -7.622 5.402) 9.408 11.883 ( 0.245 3.157 -2.376) 3.959 11.941 ( -2.967 -2.896 -4.346) 6.006 12.151 ( 2.759 1.828 -1.268) 3.544 12.256 ( 5.160 -8.169 -1.303) 9.749 12.406 ( 1.463 2.900 -3.032) 4.443 12.521 ( 5.182 -7.015 -3.389) 9.357 13.858 ( 1.438 2.445 1.046) 3.023 13.888 ( -1.953 0.340 0.621) 2.077 13.956 ( -1.917 1.818 2.141) 3.401 14.048 ( -2.985 -7.169 -0.851) 7.812 23.208 ( -1.369 5.660 11.267) 12.683 23.324 ( -1.350 -6.375 13.898) 15.350 24.512 ( 0.824 4.199 -10.200) 11.061 24.629 ( 1.173 -7.769 -9.960) 12.686 26.424 ( 0.359 8.417 0.410) 8.435 26.479 ( 0.455 3.037 -1.880) 3.601 28.585 ( 0.072 -0.378 0.297) 0.486 28.612 ( 0.192 -3.206 -0.253) 3.222 ======================= Grid point 203 (112/185) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -2.213 2.376 3.629) 4.870 2.147 ( -1.887 0.145 3.401) 3.892 2.814 ( -8.598 8.921 5.523) 13.565 2.965 ( -7.049 -6.462 4.789) 10.695 3.199 ( -5.183 7.198 4.568) 9.977 3.295 ( -2.231 -2.271 7.261) 7.928 3.523 ( -0.003 4.343 3.958) 5.876 3.569 ( 1.199 12.178 3.067) 12.616 3.595 ( -3.545 0.551 2.612) 4.438 3.784 ( -0.358 -6.757 0.432) 6.781 4.116 ( -7.912 5.139 -1.486) 9.551 4.169 ( -5.330 1.700 -4.947) 7.468 4.280 ( -0.523 -1.064 0.730) 1.392 4.343 ( 2.106 -6.344 -2.267) 7.059 5.111 ( 3.439 2.547 -9.970) 10.850 5.156 ( 4.334 -2.281 -10.091) 11.217 5.402 ( 3.615 5.668 -4.544) 8.114 5.521 ( 3.951 -6.531 -5.817) 9.597 6.285 ( 0.395 5.327 2.399) 5.856 6.387 ( 0.080 -5.208 4.743) 7.045 7.514 ( -2.088 3.720 0.297) 4.277 7.553 ( -0.939 1.131 0.740) 1.645 7.740 ( 1.717 9.504 2.545) 9.988 7.841 ( 2.066 1.203 1.092) 2.628 8.672 ( -1.554 5.276 7.574) 9.361 8.787 ( -2.498 -6.718 9.195) 11.658 10.453 ( -3.256 8.389 -0.627) 9.021 10.598 ( -5.592 -6.637 -0.386) 8.687 11.002 ( 0.188 8.128 5.197) 9.649 11.174 ( 1.333 -8.578 4.762) 9.901 11.839 ( -4.311 0.936 -4.162) 6.065 11.871 ( -0.537 -2.290 -2.367) 3.337 12.207 ( 3.506 2.860 1.158) 4.670 12.350 ( 4.647 -11.488 1.087) 12.440 12.429 ( 3.512 8.375 -5.648) 10.695 12.594 ( 4.976 -8.249 -5.425) 11.056 13.836 ( -2.206 3.701 0.030) 4.309 13.892 ( 0.426 -1.158 0.856) 1.501 13.980 ( 2.594 0.748 2.540) 3.706 14.032 ( 1.821 -5.529 -0.601) 5.852 23.237 ( -2.592 6.260 12.561) 14.272 23.363 ( -3.005 -6.911 15.242) 17.003 24.415 ( -4.552 4.158 -11.477) 13.028 24.535 ( -4.793 -8.149 -11.305) 14.737 26.448 ( 2.556 10.456 0.089) 10.765 26.539 ( 6.280 1.344 -1.480) 6.590 28.583 ( -0.284 0.299 0.163) 0.443 28.622 ( 0.961 -3.778 -0.133) 3.900 ======================= Grid point 204 (113/185) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -4.220 5.023 4.891) 8.184 2.136 ( -1.780 0.087 4.927) 5.239 2.625 ( -15.370 10.337 5.140) 19.223 2.810 ( -12.337 -8.624 3.613) 15.480 3.103 ( -7.273 7.994 3.488) 11.356 3.244 ( -7.068 -5.737 5.464) 10.617 3.527 ( -3.490 2.829 0.838) 4.570 3.554 ( -1.555 0.836 0.574) 1.857 3.624 ( 0.286 10.348 6.097) 12.014 3.760 ( -4.107 -0.642 6.945) 8.094 3.864 ( -9.438 8.954 -4.111) 13.643 4.080 ( -1.554 -8.829 -3.372) 9.578 4.285 ( 0.745 4.203 1.312) 4.466 4.396 ( 1.390 -6.958 2.243) 7.441 5.120 ( 3.359 4.366 -10.427) 11.792 5.193 ( 5.139 -3.618 -9.435) 11.336 5.487 ( 7.651 4.346 -4.048) 9.686 5.588 ( 6.424 -5.963 -5.995) 10.619 6.287 ( -1.181 6.425 1.386) 6.678 6.413 ( -0.089 -6.447 4.117) 7.650 7.480 ( -1.241 5.792 -0.516) 5.946 7.551 ( 0.222 -1.205 -0.149) 1.234 7.775 ( 0.565 10.912 2.698) 11.255 7.900 ( 2.825 -0.261 2.383) 3.705 8.696 ( -0.574 5.098 7.910) 9.429 8.801 ( -1.529 -5.912 9.253) 11.086 10.388 ( -3.093 5.076 -1.337) 6.092 10.497 ( -4.810 -6.325 -0.333) 7.954 11.054 ( 1.404 8.913 6.763) 11.276 11.224 ( 1.152 -7.997 5.341) 9.685 11.740 ( -4.007 4.532 -2.959) 6.735 11.861 ( 0.473 -7.230 -1.972) 7.509 12.285 ( 3.973 4.185 1.838) 6.056 12.400 ( 1.120 0.116 -3.179) 3.373 12.488 ( 5.894 -1.231 -4.347) 7.426 12.637 ( 3.740 -9.147 -7.794) 12.585 13.811 ( -0.768 3.948 0.537) 4.058 13.893 ( -0.435 -4.114 0.729) 4.200 14.066 ( 5.109 1.444 1.941) 5.652 14.097 ( 5.213 -2.251 0.179) 5.681 23.244 ( -4.181 6.185 12.723) 14.751 23.374 ( -5.053 -7.339 15.543) 17.915 24.251 ( -6.125 3.234 -10.352) 12.456 24.357 ( -7.519 -7.618 -10.759) 15.176 26.516 ( 4.713 13.140 -0.378) 13.965 26.662 ( 7.837 -1.623 -2.467) 8.375 28.581 ( 0.064 1.387 0.195) 1.402 28.639 ( 0.802 -4.480 -0.185) 4.555 ======================= Grid point 205 (114/185) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -5.657 9.607 6.273) 12.793 2.133 ( -1.864 -1.228 6.037) 6.437 2.325 ( -19.720 12.306 5.506) 23.888 2.571 ( -15.227 -12.344 2.491) 19.760 2.987 ( -6.699 7.094 2.457) 10.062 3.133 ( -6.354 -6.012 2.986) 9.243 3.431 ( -6.499 2.966 4.398) 8.389 3.459 ( -8.289 0.699 3.725) 9.114 3.642 ( -1.412 7.276 8.901) 11.583 3.776 ( -1.783 -4.241 6.088) 7.631 3.801 ( 4.071 17.083 -2.577) 17.749 4.103 ( 4.634 -12.465 -4.308) 13.978 4.296 ( -0.523 5.237 1.608) 5.503 4.414 ( -0.527 -7.029 2.992) 7.658 5.124 ( 3.758 6.166 -11.269) 13.384 5.231 ( 4.758 -4.947 -10.290) 12.369 5.613 ( 7.582 2.265 -1.976) 8.156 5.676 ( 5.879 -4.111 -3.578) 8.017 6.263 ( -1.862 7.778 0.267) 8.002 6.421 ( -1.162 -8.350 2.796) 8.882 7.467 ( 0.182 6.784 -1.001) 6.860 7.559 ( 0.987 -3.116 -0.894) 3.389 7.787 ( -0.862 13.239 2.387) 13.480 7.951 ( 1.011 -2.522 2.560) 3.733 8.731 ( -0.658 5.098 8.969) 10.338 8.828 ( -1.150 -5.011 9.648) 10.933 10.336 ( -1.466 4.050 -1.477) 4.553 10.434 ( -2.156 -6.093 0.993) 6.539 11.115 ( 0.913 8.154 8.196) 11.597 11.276 ( 0.766 -8.355 7.911) 11.531 11.668 ( -2.343 8.436 -2.732) 9.172 11.858 ( 0.136 -10.575 -2.368) 10.838 12.352 ( 1.738 3.854 -1.659) 4.542 12.380 ( 0.557 6.188 -4.969) 7.955 12.556 ( 3.862 -4.366 -6.399) 8.656 12.654 ( 3.141 -10.197 -7.574) 13.084 13.810 ( 0.035 3.748 0.950) 3.866 13.889 ( -0.428 -4.446 1.131) 4.608 14.175 ( 5.853 2.461 1.143) 6.451 14.208 ( 6.055 -1.032 1.225) 6.263 23.220 ( -5.539 5.283 11.266) 13.621 23.343 ( -7.255 -7.445 14.019) 17.453 24.114 ( -3.145 1.204 -6.900) 7.678 24.180 ( -5.599 -5.569 -8.071) 11.292 26.601 ( 4.718 14.380 -1.173) 15.180 26.778 ( 6.432 -3.691 -3.817) 8.340 28.588 ( 0.553 1.541 0.302) 1.665 28.645 ( -0.048 -4.181 -0.343) 4.195 ======================= Grid point 206 (115/185) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -8.646 15.709 5.967) 18.898 2.064 ( -9.184 13.187 8.105) 17.998 2.134 ( -2.401 -4.771 6.275) 8.240 2.336 ( -10.211 -14.121 2.258) 17.572 2.911 ( -3.345 7.838 4.262) 9.528 3.079 ( -1.445 -8.076 3.776) 9.032 3.367 ( -5.041 4.354 10.008) 12.022 3.380 ( -2.602 2.753 5.678) 6.826 3.659 ( -1.536 4.108 6.794) 8.087 3.770 ( -1.534 -2.851 3.406) 4.699 3.856 ( 1.684 14.168 -0.729) 14.286 4.143 ( 2.607 -11.527 -9.076) 14.901 4.292 ( -0.977 5.286 3.150) 6.231 4.420 ( -0.801 -7.970 4.182) 9.036 5.137 ( 4.338 6.419 -11.832) 14.143 5.254 ( 4.104 -5.531 -11.316) 13.247 5.729 ( 5.561 1.062 -0.034) 5.661 5.760 ( 4.622 -2.014 -0.667) 5.086 6.226 ( -2.007 8.337 -0.565) 8.594 6.402 ( -2.157 -9.606 1.760) 10.001 7.474 ( 1.161 7.306 -1.105) 7.480 7.576 ( 1.403 -3.851 -1.420) 4.338 7.771 ( -1.904 13.982 1.945) 14.244 7.956 ( -1.627 -4.116 1.331) 4.621 8.763 ( -1.698 5.305 10.402) 11.799 8.859 ( -1.567 -4.567 10.474) 11.533 10.332 ( 1.860 4.533 -0.511) 4.926 10.432 ( 0.963 -5.792 2.304) 6.308 11.181 ( 1.075 7.868 10.143) 12.882 11.337 ( 0.298 -8.434 10.871) 13.762 11.620 ( -1.114 9.988 -3.677) 10.701 11.834 ( -1.142 -11.698 -3.478) 12.257 12.303 ( -1.360 7.106 -9.357) 11.828 12.389 ( 0.231 -0.232 -2.631) 2.651 12.552 ( 1.116 -0.335 -9.586) 9.656 12.672 ( 2.293 -10.843 -5.606) 12.420 13.817 ( 0.141 3.391 0.977) 3.531 13.890 ( -0.323 -4.035 1.398) 4.283 14.278 ( 4.314 2.898 1.201) 5.334 14.309 ( 3.781 -0.388 1.600) 4.123 23.172 ( -5.485 3.556 9.151) 11.246 23.269 ( -7.786 -6.403 10.990) 14.913 24.076 ( 1.381 -1.357 -3.019) 3.587 24.091 ( 0.130 -2.844 -4.076) 4.972 26.662 ( 2.616 14.202 -1.894) 14.564 26.843 ( 3.103 -4.372 -4.895) 7.259 28.602 ( 0.681 0.332 0.297) 0.814 28.633 ( -0.962 -2.770 -0.444) 2.965 ======================= Grid point 243 (116/185) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -6.269 0.000 16.579) 17.725 1.544 ( -1.101 0.000 25.818) 25.842 1.970 ( 8.413 0.000 -6.349) 10.540 2.423 ( 0.390 0.000 -8.719) 8.728 2.477 ( -6.165 0.000 24.196) 24.969 2.599 ( -1.667 0.000 -0.504) 1.741 2.734 ( -1.948 0.000 3.223) 3.766 3.307 ( 7.444 0.000 -4.482) 8.689 3.316 ( 0.487 0.000 2.976) 3.016 3.469 ( -3.803 0.000 0.338) 3.818 3.803 ( 1.623 0.000 2.600) 3.065 3.805 ( -0.464 0.000 -4.038) 4.065 4.388 ( -1.586 0.000 10.048) 10.172 4.904 ( 3.889 0.000 -10.835) 11.512 5.284 ( 3.262 0.000 -7.447) 8.130 5.534 ( -4.556 0.000 1.410) 4.769 5.722 ( -0.596 0.000 -3.705) 3.753 5.862 ( -1.391 0.000 0.552) 1.497 5.879 ( 5.037 0.000 -1.649) 5.300 6.409 ( 2.775 0.000 1.125) 2.994 7.099 ( 0.102 0.000 5.426) 5.427 7.261 ( 0.122 0.000 -2.765) 2.767 7.389 ( -1.856 0.000 0.595) 1.949 8.027 ( 0.764 0.000 5.145) 5.201 8.826 ( -1.418 0.000 3.985) 4.230 9.382 ( -5.764 0.000 3.989) 7.010 9.713 ( -3.601 0.000 -0.776) 3.684 10.488 ( -1.888 0.000 -0.615) 1.985 11.077 ( 4.188 0.000 9.895) 10.745 11.255 ( -3.785 0.000 -1.278) 3.995 11.461 ( -0.503 0.000 -9.256) 9.269 11.826 ( 2.547 0.000 1.693) 3.059 12.403 ( 3.657 0.000 -5.278) 6.421 12.473 ( -3.586 0.000 -7.887) 8.664 13.030 ( 2.046 0.000 8.195) 8.446 13.393 ( -3.135 0.000 -7.871) 8.472 13.742 ( 0.272 0.000 2.583) 2.597 13.926 ( -0.456 0.000 -2.132) 2.181 14.041 ( 0.447 0.000 2.453) 2.493 14.313 ( 4.996 0.000 2.153) 5.440 23.590 ( 2.487 0.000 11.918) 12.175 23.977 ( -18.516 0.000 -6.103) 19.496 24.376 ( 1.520 0.000 -3.115) 3.466 24.967 ( -0.119 0.000 -0.630) 0.641 25.116 ( 0.085 0.000 0.205) 0.222 25.876 ( 10.253 0.000 -1.484) 10.360 28.738 ( -1.178 0.000 -0.869) 1.464 28.828 ( 3.040 0.000 0.820) 3.149 ======================= Grid point 244 (117/185) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -6.930 0.000 13.757) 15.404 1.796 ( 11.743 0.000 25.402) 27.986 2.061 ( 5.437 0.000 -9.223) 10.706 2.385 ( 7.465 0.000 -19.025) 20.437 2.548 ( -3.044 0.000 1.566) 3.423 2.643 ( 4.899 0.000 26.199) 26.653 2.742 ( -0.095 0.000 4.488) 4.489 3.350 ( 1.929 0.000 1.551) 2.475 3.358 ( -1.977 0.000 -8.553) 8.779 3.460 ( 5.921 0.000 3.720) 6.993 3.765 ( -1.850 0.000 -2.861) 3.407 3.867 ( 4.340 0.000 0.508) 4.369 4.425 ( 0.204 0.000 8.830) 8.832 4.878 ( -0.514 0.000 -8.774) 8.789 5.246 ( -3.246 0.000 -7.546) 8.215 5.443 ( -5.787 0.000 1.618) 6.009 5.700 ( -0.077 0.000 -2.628) 2.630 5.791 ( -5.532 0.000 -0.749) 5.582 5.946 ( 2.581 0.000 -3.716) 4.524 6.470 ( 3.732 0.000 -1.115) 3.895 7.071 ( -5.889 0.000 3.406) 6.803 7.209 ( -4.174 0.000 -1.723) 4.516 7.378 ( -0.262 0.000 2.199) 2.214 8.024 ( -3.661 0.000 3.119) 4.809 8.757 ( -7.717 0.000 4.315) 8.841 9.330 ( -3.514 0.000 8.514) 9.211 9.688 ( 0.231 0.000 2.712) 2.721 10.485 ( 1.279 0.000 1.307) 1.829 11.204 ( 4.308 0.000 7.234) 8.420 11.269 ( 4.249 0.000 2.073) 4.728 11.400 ( -0.189 0.000 -10.190) 10.192 11.871 ( 1.781 0.000 -0.643) 1.893 12.358 ( -1.464 0.000 -5.664) 5.850 12.449 ( 1.315 0.000 -3.336) 3.586 13.095 ( 0.064 0.000 8.659) 8.659 13.263 ( -6.263 0.000 -7.823) 10.021 13.760 ( 0.394 0.000 1.980) 2.019 13.899 ( -1.422 0.000 -1.482) 2.054 14.059 ( 0.022 0.000 2.131) 2.131 14.403 ( 4.810 0.000 -3.803) 6.132 23.635 ( -16.621 0.000 4.237) 17.152 23.710 ( 1.269 0.000 15.052) 15.105 24.422 ( 6.094 0.000 -5.243) 8.039 24.965 ( 0.212 0.000 -0.340) 0.401 25.114 ( -0.317 0.000 0.066) 0.324 25.955 ( 1.774 0.000 -9.331) 9.498 28.729 ( 0.279 0.000 0.479) 0.554 28.879 ( 2.669 0.000 -2.244) 3.487 ======================= Grid point 245 (118/185) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -5.773 0.000 10.224) 11.741 2.046 ( -0.973 0.000 -11.015) 11.058 2.143 ( 10.016 0.000 22.738) 24.846 2.464 ( 10.192 0.000 -17.933) 20.627 2.541 ( 1.049 0.000 2.864) 3.050 2.762 ( -0.918 0.000 5.621) 5.695 2.921 ( 14.272 0.000 13.145) 19.403 3.259 ( -3.364 0.000 -3.500) 4.854 3.401 ( 3.354 0.000 -0.831) 3.456 3.634 ( 10.133 0.000 3.957) 10.879 3.711 ( -2.760 0.000 -0.873) 2.894 3.955 ( 5.871 0.000 -3.040) 6.612 4.489 ( 1.951 0.000 7.195) 7.455 4.804 ( -4.112 0.000 -2.051) 4.595 5.109 ( -5.889 0.000 -8.664) 10.476 5.327 ( -7.401 0.000 -3.263) 8.088 5.671 ( -7.166 0.000 0.059) 7.166 5.687 ( 0.172 0.000 -2.507) 2.513 5.928 ( -1.571 0.000 -4.762) 5.014 6.524 ( 3.170 0.000 -3.024) 4.381 6.937 ( -9.414 0.000 1.303) 9.504 7.111 ( -5.601 0.000 0.308) 5.609 7.395 ( 0.240 0.000 3.224) 3.232 7.936 ( -6.834 0.000 1.395) 6.975 8.641 ( -7.085 0.000 5.493) 8.965 9.325 ( -2.959 0.000 9.847) 10.282 9.745 ( 3.055 0.000 6.349) 7.046 10.537 ( 2.961 0.000 2.456) 3.847 11.266 ( -0.163 0.000 -3.549) 3.553 11.384 ( 5.445 0.000 3.431) 6.436 11.385 ( 3.788 0.000 -2.656) 4.627 11.880 ( 0.741 0.000 -4.025) 4.092 12.355 ( 3.424 0.000 -1.065) 3.585 12.448 ( -0.059 0.000 -1.043) 1.045 13.092 ( -7.226 0.000 -2.038) 7.508 13.135 ( -0.941 0.000 3.857) 3.970 13.776 ( 0.544 0.000 0.592) 0.804 13.862 ( -2.019 0.000 -0.020) 2.019 14.064 ( -0.924 0.000 3.066) 3.202 14.443 ( 3.370 0.000 -8.200) 8.865 23.385 ( -13.773 0.000 7.444) 15.655 23.830 ( 1.354 0.000 17.110) 17.164 24.543 ( 10.859 0.000 -7.226) 13.043 24.970 ( 0.492 0.000 -0.069) 0.497 25.106 ( -0.586 0.000 -0.044) 0.588 25.847 ( -6.247 0.000 -13.973) 15.306 28.750 ( 1.016 0.000 2.045) 2.284 28.898 ( 1.535 0.000 -4.040) 4.322 ======================= Grid point 246 (119/185) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -3.252 0.000 7.010) 7.728 1.934 ( -4.359 0.000 -9.755) 10.685 2.353 ( 1.712 0.000 7.370) 7.567 2.500 ( 3.036 0.000 -6.672) 7.331 2.593 ( 2.518 0.000 1.894) 3.151 2.768 ( -1.769 0.000 6.304) 6.548 3.243 ( 2.774 0.000 1.676) 3.241 3.271 ( 16.552 0.000 4.904) 17.263 3.451 ( 2.970 0.000 -4.163) 5.114 3.669 ( -1.721 0.000 1.979) 2.623 3.853 ( 10.456 0.000 5.185) 11.671 4.029 ( 4.588 0.000 -7.154) 8.499 4.568 ( 2.776 0.000 6.247) 6.836 4.719 ( -5.892 0.000 5.846) 8.300 4.977 ( -2.063 0.000 -11.022) 11.213 5.128 ( -11.782 0.000 -4.993) 12.796 5.545 ( -6.033 0.000 -1.035) 6.121 5.682 ( 1.007 0.000 -2.935) 3.103 5.861 ( -2.420 0.000 -5.103) 5.648 6.525 ( -1.849 0.000 -4.447) 4.816 6.789 ( -6.106 0.000 1.003) 6.188 7.028 ( -3.845 0.000 1.849) 4.266 7.410 ( -0.815 0.000 3.057) 3.163 7.816 ( -6.377 0.000 1.165) 6.482 8.573 ( -3.870 0.000 6.245) 7.347 9.325 ( -2.728 0.000 9.532) 9.915 9.851 ( 3.642 0.000 8.928) 9.642 10.604 ( 2.605 0.000 2.389) 3.535 11.206 ( -1.659 0.000 -8.638) 8.796 11.460 ( 3.954 0.000 0.400) 3.974 11.472 ( 2.318 0.000 2.694) 3.554 11.860 ( 0.111 0.000 -6.190) 6.191 12.423 ( -2.667 0.000 5.783) 6.369 12.464 ( 7.584 0.000 -3.666) 8.424 12.968 ( -3.751 0.000 -2.701) 4.622 13.145 ( -1.283 0.000 5.721) 5.863 13.780 ( -0.112 0.000 -1.547) 1.551 13.835 ( -1.172 0.000 2.190) 2.484 14.059 ( -2.039 0.000 5.056) 5.452 14.446 ( 2.651 0.000 -10.334) 10.668 23.218 ( -9.158 0.000 7.961) 12.134 23.931 ( -0.063 0.000 15.776) 15.776 24.717 ( 11.870 0.000 -7.924) 14.272 24.981 ( 0.584 0.000 0.065) 0.588 25.095 ( -0.592 0.000 -0.082) 0.598 25.614 ( -9.393 0.000 -15.765) 18.352 28.777 ( 0.223 0.000 2.987) 2.995 28.900 ( 1.410 0.000 -4.336) 4.559 ======================= Grid point 247 (120/185) ======================= q-point: (-0.56 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.507 0.000 4.674) 4.701 1.806 ( -4.465 0.000 -6.971) 8.279 2.231 ( -10.265 0.000 -8.415) 13.274 2.603 ( 4.960 0.000 8.753) 10.061 2.628 ( 0.045 0.000 1.446) 1.447 2.777 ( -0.639 0.000 6.078) 6.112 3.325 ( 3.643 0.000 3.149) 4.815 3.445 ( -0.775 0.000 -4.816) 4.878 3.523 ( 8.274 0.000 1.318) 8.379 3.686 ( 2.159 0.000 1.989) 2.936 3.959 ( -4.598 0.000 2.689) 5.326 4.069 ( 3.724 0.000 -3.275) 4.959 4.616 ( -5.774 0.000 6.337) 8.573 4.697 ( 2.339 0.000 8.552) 8.866 4.891 ( -8.967 0.000 -5.788) 10.673 4.950 ( 6.556 0.000 -9.680) 11.691 5.458 ( -1.743 0.000 -3.520) 3.927 5.699 ( 2.984 0.000 -3.743) 4.787 5.802 ( -0.438 0.000 -5.713) 5.730 6.425 ( -4.772 0.000 -4.080) 6.278 6.729 ( -2.863 0.000 2.575) 3.850 7.001 ( -0.019 0.000 1.256) 1.256 7.396 ( -1.811 0.000 1.960) 2.669 7.741 ( -2.745 0.000 2.466) 3.690 8.561 ( -1.421 0.000 6.226) 6.386 9.332 ( -1.800 0.000 8.759) 8.942 9.958 ( 2.394 0.000 9.743) 10.033 10.648 ( 1.005 0.000 1.313) 1.653 11.126 ( -2.255 0.000 -7.727) 8.049 11.511 ( 1.175 0.000 1.904) 2.237 11.519 ( 2.620 0.000 -0.705) 2.713 11.819 ( -0.658 0.000 -6.774) 6.806 12.379 ( -3.918 0.000 2.380) 4.584 12.591 ( 6.105 0.000 0.491) 6.125 12.934 ( 0.543 0.000 -1.102) 1.229 13.158 ( 0.385 0.000 3.554) 3.574 13.757 ( -1.408 0.000 -0.748) 1.594 13.845 ( 0.860 0.000 1.404) 1.646 14.045 ( -3.087 0.000 7.168) 7.805 14.430 ( 1.841 0.000 -10.611) 10.770 23.141 ( -4.142 0.000 8.328) 9.301 24.002 ( -0.000 0.000 12.294) 12.294 24.847 ( 5.927 0.000 -7.399) 9.481 24.991 ( 0.454 0.000 0.010) 0.454 25.085 ( -0.335 0.000 -0.041) 0.337 25.389 ( -5.199 0.000 -14.763) 15.652 28.781 ( -1.747 0.000 3.200) 3.646 28.911 ( 2.374 0.000 -4.081) 4.721 ======================= Grid point 248 (121/185) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.940 0.000 4.216) 4.319 1.711 ( -2.525 0.000 -3.540) 4.348 1.981 ( -13.902 0.000 0.762) 13.923 2.619 ( -1.599 0.000 1.951) 2.523 2.738 ( 6.048 0.000 3.994) 7.248 2.804 ( 0.074 0.000 4.745) 4.746 3.362 ( -2.120 0.000 0.552) 2.191 3.391 ( -2.565 0.000 -2.468) 3.559 3.556 ( -7.518 0.000 2.412) 7.895 3.745 ( 3.497 0.000 -0.794) 3.586 3.829 ( -8.290 0.000 4.363) 9.368 4.009 ( -8.824 0.000 1.088) 8.891 4.476 ( -11.806 0.000 11.825) 16.709 4.748 ( -1.373 0.000 -4.427) 4.635 4.865 ( 8.890 0.000 -2.378) 9.203 5.112 ( 14.277 0.000 -6.201) 15.566 5.452 ( 2.919 0.000 -2.998) 4.185 5.741 ( 3.983 0.000 -5.590) 6.863 5.792 ( 3.077 0.000 -6.812) 7.475 6.359 ( -0.550 0.000 -1.213) 1.332 6.694 ( -2.700 0.000 4.136) 4.939 7.032 ( 2.761 0.000 -0.098) 2.763 7.388 ( 0.229 0.000 2.042) 2.055 7.734 ( -0.102 0.000 2.985) 2.987 8.582 ( 0.079 0.000 5.575) 5.575 9.354 ( -0.666 0.000 7.673) 7.702 10.031 ( 0.078 0.000 7.982) 7.983 10.654 ( -0.661 0.000 0.338) 0.742 11.042 ( -3.310 0.000 -4.643) 5.702 11.549 ( 1.583 0.000 -2.086) 2.619 11.550 ( 2.397 0.000 1.201) 2.681 11.769 ( -0.967 0.000 -5.567) 5.650 12.316 ( -4.433 0.000 2.668) 5.174 12.678 ( 3.382 0.000 0.120) 3.384 12.940 ( 0.275 0.000 -2.332) 2.348 13.216 ( 4.815 0.000 1.192) 4.960 13.730 ( -1.397 0.000 0.577) 1.512 13.874 ( 1.751 0.000 0.009) 1.751 14.026 ( -3.589 0.000 8.602) 9.321 14.393 ( -0.138 0.000 -9.658) 9.659 23.155 ( 0.439 0.000 8.509) 8.521 24.080 ( 3.042 0.000 7.682) 8.262 24.852 ( -1.523 0.000 -0.549) 1.619 24.996 ( 0.171 0.000 -0.213) 0.273 25.083 ( 0.057 0.000 0.068) 0.089 25.270 ( 0.010 0.000 -16.239) 16.239 28.756 ( -2.568 0.000 3.212) 4.112 28.936 ( 2.341 0.000 -4.036) 4.666 ======================= Grid point 249 (122/185) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.158 0.000 7.331) 7.333 1.686 ( 1.370 0.000 -1.662) 2.154 1.769 ( -13.108 0.000 13.541) 18.846 2.603 ( -1.057 0.000 1.411) 1.763 2.822 ( -0.778 0.000 3.651) 3.733 2.859 ( 6.459 0.000 -3.039) 7.138 3.154 ( -24.511 0.000 8.037) 25.794 3.337 ( -2.437 0.000 -0.019) 2.437 3.345 ( -11.433 0.000 -0.074) 11.434 3.742 ( -6.903 0.000 3.698) 7.831 3.794 ( 2.997 0.000 -2.965) 4.216 3.853 ( -6.830 0.000 4.200) 8.018 4.384 ( -5.621 0.000 12.255) 13.483 4.712 ( 0.661 0.000 -3.688) 3.747 5.008 ( 8.495 0.000 -5.109) 9.913 5.329 ( 12.149 0.000 -8.201) 14.658 5.533 ( 6.410 0.000 3.096) 7.119 5.773 ( 3.243 0.000 -7.358) 8.041 5.831 ( 4.992 0.000 -8.316) 9.700 6.368 ( -0.194 0.000 2.456) 2.463 6.711 ( 3.101 0.000 4.721) 5.648 7.091 ( 3.947 0.000 -0.980) 4.067 7.426 ( 2.156 0.000 2.191) 3.074 7.764 ( 1.729 0.000 3.213) 3.649 8.624 ( 1.624 0.000 4.679) 4.952 9.391 ( 0.646 0.000 6.186) 6.220 10.035 ( -3.284 0.000 3.233) 4.608 10.638 ( -1.029 0.000 0.489) 1.139 10.959 ( -4.195 0.000 0.175) 4.198 11.556 ( 0.956 0.000 -3.672) 3.794 11.602 ( 2.785 0.000 -2.023) 3.442 11.735 ( -0.183 0.000 -2.476) 2.483 12.249 ( -4.802 0.000 4.506) 6.585 12.719 ( 1.632 0.000 -2.028) 2.603 12.914 ( -1.059 0.000 -3.102) 3.278 13.330 ( 7.124 0.000 -1.665) 7.316 13.714 ( -0.916 0.000 1.543) 1.795 13.905 ( 1.912 0.000 -1.056) 2.184 14.012 ( -3.153 0.000 9.120) 9.650 14.321 ( -2.608 0.000 -7.292) 7.745 23.238 ( 3.456 0.000 8.131) 8.835 24.192 ( 6.359 0.000 -0.277) 6.365 24.848 ( -0.844 0.000 8.648) 8.689 24.994 ( -0.141 0.000 -0.521) 0.539 25.088 ( 0.405 0.000 0.212) 0.458 25.174 ( -0.670 0.000 -15.371) 15.385 28.735 ( -1.442 0.000 3.354) 3.651 28.936 ( -0.148 0.000 -4.466) 4.469 ======================= Grid point 250 (123/185) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -1.897 0.000 13.039) 13.176 1.648 ( -11.819 0.000 22.373) 25.303 1.739 ( 5.498 0.000 -2.508) 6.043 2.598 ( 0.099 0.000 0.027) 0.103 2.705 ( -27.178 0.000 16.993) 32.054 2.812 ( -2.188 0.000 2.808) 3.560 2.897 ( -3.565 0.000 -9.479) 10.128 3.169 ( -3.944 0.000 -1.911) 4.383 3.306 ( -1.588 0.000 2.067) 2.606 3.617 ( -8.456 0.000 8.004) 11.643 3.806 ( -2.127 0.000 1.738) 2.747 3.821 ( 2.047 0.000 -4.168) 4.644 4.370 ( -3.668 0.000 11.588) 12.155 4.752 ( 5.836 0.000 -3.846) 6.990 5.124 ( 7.894 0.000 -6.030) 9.933 5.453 ( 7.122 0.000 -6.323) 9.524 5.701 ( 8.071 0.000 5.276) 9.642 5.779 ( 1.710 0.000 -7.204) 7.404 5.855 ( 2.033 0.000 -7.859) 8.117 6.361 ( -1.857 0.000 3.913) 4.331 6.852 ( 8.096 0.000 5.490) 9.782 7.163 ( 4.698 0.000 -1.794) 5.029 7.459 ( -0.011 0.000 0.385) 0.385 7.839 ( 4.152 0.000 4.988) 6.490 8.692 ( 3.322 0.000 3.945) 5.157 9.438 ( 1.203 0.000 3.830) 4.014 9.949 ( -6.272 0.000 -1.419) 6.431 10.615 ( -1.971 0.000 -1.063) 2.239 10.913 ( -2.249 0.000 6.927) 7.283 11.544 ( 0.432 0.000 -5.529) 5.546 11.583 ( -3.305 0.000 -7.471) 8.170 11.739 ( 0.885 0.000 0.762) 1.168 12.224 ( 0.188 0.000 5.956) 5.959 12.701 ( -1.433 0.000 -6.932) 7.078 12.897 ( 0.448 0.000 1.327) 1.401 13.429 ( 5.195 0.000 -4.982) 7.197 13.713 ( -0.356 0.000 2.239) 2.267 13.928 ( 1.465 0.000 -1.809) 2.328 14.013 ( -1.804 0.000 7.683) 7.892 14.239 ( -2.810 0.000 -1.804) 3.340 23.356 ( 4.444 0.000 8.319) 9.431 24.272 ( 4.380 0.000 -7.375) 8.577 24.777 ( -8.727 0.000 -14.728) 17.119 24.986 ( -0.346 0.000 -0.759) 0.834 25.099 ( 0.555 0.000 0.312) 0.637 25.244 ( 11.594 0.000 14.305) 18.414 28.742 ( 0.165 0.000 3.318) 3.322 28.877 ( -3.484 0.000 -4.235) 5.484 ======================= Grid point 251 (124/185) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -4.240 0.000 16.790) 17.317 1.551 ( -12.159 0.000 23.906) 26.821 1.846 ( 8.018 0.000 -4.305) 9.101 2.432 ( -15.073 0.000 28.991) 32.676 2.605 ( 0.740 0.000 -0.857) 1.132 2.668 ( -10.690 0.000 -13.729) 17.400 2.774 ( -3.406 0.000 2.445) 4.193 3.203 ( 6.186 0.000 -3.531) 7.122 3.301 ( -0.623 0.000 3.197) 3.258 3.533 ( -5.067 0.000 4.797) 6.977 3.784 ( -1.127 0.000 2.630) 2.862 3.824 ( 0.897 0.000 -4.494) 4.583 4.371 ( -2.745 0.000 10.898) 11.238 4.850 ( 7.303 0.000 -7.857) 10.727 5.227 ( 6.820 0.000 -6.694) 9.557 5.542 ( 4.378 0.000 -2.192) 4.896 5.757 ( -0.200 0.000 -5.549) 5.552 5.832 ( 0.131 0.000 -3.288) 3.291 5.838 ( 3.865 0.000 2.981) 4.881 6.366 ( 0.525 0.000 3.106) 3.151 7.015 ( 5.527 0.000 6.118) 8.245 7.234 ( 4.059 0.000 -2.616) 4.829 7.432 ( -2.352 0.000 -0.549) 2.415 7.950 ( 4.009 0.000 6.091) 7.292 8.778 ( 3.343 0.000 3.871) 5.115 9.450 ( -2.200 0.000 1.597) 2.719 9.817 ( -6.367 0.000 -2.622) 6.886 10.550 ( -3.631 0.000 -2.131) 4.210 10.962 ( 1.958 0.000 10.633) 10.812 11.411 ( -9.627 0.000 -6.023) 11.356 11.512 ( -0.108 0.000 -7.484) 7.485 11.772 ( 2.020 0.000 1.972) 2.823 12.315 ( 6.474 0.000 -0.040) 6.475 12.601 ( -4.251 0.000 -9.102) 10.046 12.946 ( 2.348 0.000 6.202) 6.632 13.453 ( 1.044 0.000 -7.161) 7.237 13.724 ( 0.059 0.000 2.625) 2.625 13.936 ( 0.593 0.000 -2.200) 2.279 14.023 ( -0.524 0.000 4.108) 4.141 14.230 ( 1.338 0.000 4.216) 4.423 23.479 ( 3.599 0.000 9.675) 10.323 24.264 ( -2.096 0.000 -11.286) 11.479 24.472 ( -12.318 0.000 -11.060) 16.554 24.975 ( -0.341 0.000 -0.800) 0.869 25.110 ( 0.430 0.000 0.306) 0.528 25.602 ( 16.408 0.000 11.081) 19.799 28.773 ( 1.237 0.000 2.680) 2.951 28.789 ( -3.203 0.000 -2.284) 3.934 ======================= Grid point 252 (125/185) ======================= q-point: ( 0.00 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -6.369 12.136 16.815) 21.693 1.594 ( 2.884 5.627 22.315) 23.194 2.095 ( 7.656 10.886 -2.391) 13.522 2.404 ( -1.785 -2.039 -12.681) 12.967 2.502 ( -6.139 5.329 17.018) 18.860 2.677 ( -0.805 6.374 1.614) 6.624 2.867 ( -2.166 13.088 8.813) 15.926 3.343 ( 6.484 3.869 -1.845) 7.772 3.418 ( -0.752 7.980 0.203) 8.018 3.516 ( -2.143 6.879 -2.769) 7.719 3.762 ( 2.140 -3.153 3.136) 4.935 3.843 ( -1.179 2.193 -1.943) 3.158 4.382 ( -1.748 -0.631 9.750) 9.926 4.873 ( 3.758 -3.046 -10.511) 11.571 5.215 ( 2.455 -7.032 -6.816) 10.097 5.451 ( -3.679 -7.253 1.048) 8.200 5.772 ( 0.202 3.922 -3.817) 5.477 5.845 ( -1.152 -1.465 0.655) 1.975 5.875 ( 4.585 -0.305 -1.993) 5.008 6.528 ( 2.073 11.902 1.051) 12.126 7.023 ( -0.090 -7.521 4.534) 8.782 7.318 ( 0.100 5.915 -2.648) 6.481 7.402 ( -1.702 1.446 0.680) 2.335 8.041 ( 0.412 0.637 4.668) 4.729 8.796 ( -2.010 -1.986 4.828) 5.594 9.306 ( -3.309 -5.923 5.669) 8.841 9.829 ( -3.448 10.004 -2.771) 10.938 10.575 ( -1.649 7.702 0.766) 7.914 11.057 ( 0.613 -1.903 6.746) 7.036 11.253 ( 1.051 1.380 1.353) 2.199 11.540 ( -2.346 6.591 -8.872) 11.298 11.828 ( 2.428 0.122 0.706) 2.532 12.310 ( 4.086 -8.806 -1.897) 9.891 12.444 ( -3.843 -2.878 -8.903) 10.115 12.940 ( 1.129 -8.506 8.038) 11.757 13.291 ( -2.147 -9.745 -8.003) 12.792 13.773 ( 0.334 1.470 0.799) 1.707 13.966 ( -0.747 4.519 0.969) 4.682 14.105 ( -0.229 5.732 0.569) 5.765 14.280 ( 4.884 -3.032 1.987) 6.083 23.537 ( 2.155 -5.769 10.370) 12.061 23.837 ( -17.091 -11.898 0.036) 20.824 24.264 ( 2.770 -6.730 -3.866) 8.241 24.777 ( 4.082 -15.553 0.356) 16.083 25.420 ( -1.132 24.775 -0.215) 24.802 26.091 ( 5.959 17.759 -4.980) 19.382 28.722 ( -1.347 -1.635 -0.815) 2.269 28.806 ( 2.727 -2.171 0.792) 3.575 ======================= Grid point 253 (126/185) ======================= q-point: ( 0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -2.437 16.370 11.679) 20.256 1.873 ( 12.998 7.785 21.919) 26.646 2.203 ( 5.507 12.481 -5.365) 14.659 2.376 ( 7.889 -0.314 -17.169) 18.897 2.500 ( -1.226 -1.896 7.934) 8.249 2.670 ( -2.075 4.307 9.089) 10.270 2.913 ( 0.634 13.376 11.495) 17.648 3.388 ( -1.877 4.843 -4.134) 6.639 3.466 ( 0.051 10.030 -2.993) 10.468 3.479 ( 7.487 2.681 3.095) 8.533 3.798 ( -2.534 2.421 -1.486) 3.806 3.840 ( 4.910 -2.603 0.686) 5.600 4.415 ( -0.044 -1.153 8.753) 8.829 4.852 ( -0.289 -2.608 -8.162) 8.574 5.167 ( -3.627 -7.691 -6.183) 10.513 5.379 ( -4.387 -5.720 -0.063) 7.209 5.762 ( 0.680 5.109 -3.284) 6.111 5.780 ( -5.409 -0.841 -0.647) 5.513 5.929 ( 2.117 -1.627 -3.698) 4.561 6.575 ( 2.791 10.741 -0.569) 11.112 6.995 ( -5.152 -7.376 3.027) 9.492 7.274 ( -3.306 6.690 -1.765) 7.668 7.393 ( -0.230 1.624 2.099) 2.664 8.032 ( -3.684 0.139 3.004) 4.755 8.743 ( -6.332 -0.611 5.295) 8.277 9.287 ( -2.710 -3.900 7.561) 8.929 9.786 ( -0.597 9.445 1.409) 9.568 10.572 ( 0.355 8.126 2.039) 8.385 11.117 ( 3.605 -5.484 3.925) 7.647 11.342 ( 5.394 4.785 5.409) 9.014 11.454 ( -1.648 5.000 -9.762) 11.091 11.866 ( 1.772 -0.543 -1.518) 2.396 12.322 ( -0.847 -4.027 -3.733) 5.556 12.382 ( 1.596 -5.869 -4.034) 7.298 12.994 ( -0.254 -9.449 8.682) 12.834 13.180 ( -5.098 -8.203 -7.983) 12.531 13.782 ( 0.207 0.902 0.632) 1.121 13.947 ( -1.786 4.899 0.818) 5.279 14.093 ( -1.600 3.199 1.435) 3.854 14.366 ( 4.536 -3.316 -3.512) 6.626 23.531 ( -12.449 -9.326 5.833) 16.612 23.678 ( 0.303 -3.206 13.942) 14.309 24.313 ( 5.649 -7.383 -5.578) 10.842 24.843 ( 3.847 -11.451 -2.472) 12.330 25.385 ( -2.412 23.403 0.716) 23.538 26.106 ( -0.559 13.414 -8.428) 15.852 28.712 ( 0.229 -1.781 0.606) 1.895 28.850 ( 2.157 -2.878 -1.892) 4.064 ======================= Grid point 254 (127/185) ======================= q-point: ( 0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.946 22.771 6.757) 23.772 2.124 ( 0.030 5.912 4.509) 7.435 2.254 ( 4.384 11.721 3.608) 13.024 2.471 ( 10.296 3.087 -12.745) 16.672 2.594 ( 7.780 3.706 2.268) 8.911 2.724 ( 2.696 -2.064 9.429) 10.022 3.014 ( 5.771 7.856 9.044) 13.297 3.310 ( -3.328 5.499 -2.670) 6.960 3.477 ( 2.358 7.755 -0.866) 8.152 3.666 ( 9.711 3.359 3.162) 10.751 3.735 ( -2.989 1.580 0.530) 3.422 3.943 ( 6.794 -0.927 -3.525) 7.710 4.473 ( 1.472 -1.727 7.406) 7.746 4.785 ( -4.242 -2.051 -0.819) 4.782 5.047 ( -4.146 -5.786 -8.873) 11.375 5.275 ( -6.461 -4.901 -4.005) 9.045 5.651 ( -8.115 -1.435 -0.005) 8.241 5.762 ( 1.064 6.225 -3.513) 7.227 5.906 ( -1.815 -2.192 -4.709) 5.502 6.617 ( 2.366 9.636 -2.085) 10.139 6.883 ( -7.792 -5.172 1.524) 9.476 7.193 ( -4.574 8.232 -0.203) 9.420 7.410 ( 0.272 1.465 3.034) 3.380 7.947 ( -6.763 0.587 1.747) 7.009 8.651 ( -6.386 1.357 5.819) 8.745 9.288 ( -2.111 -3.451 8.615) 9.518 9.818 ( 1.884 7.265 5.125) 9.089 10.601 ( 1.185 6.206 2.943) 6.970 11.208 ( 3.549 -5.036 0.891) 6.225 11.381 ( -0.548 2.481 -7.963) 8.358 11.473 ( 5.268 5.307 4.818) 8.896 11.873 ( 0.893 -0.664 -4.291) 4.433 12.322 ( 2.818 -3.415 -0.542) 4.460 12.398 ( 1.257 -4.839 -1.524) 5.227 13.010 ( -4.777 -8.556 4.306) 10.703 13.051 ( -2.326 -7.720 -2.838) 8.547 13.786 ( 0.112 0.444 -0.015) 0.458 13.913 ( -2.517 4.830 1.432) 5.631 14.069 ( -2.134 0.447 2.700) 3.470 14.402 ( 2.969 -3.818 -7.562) 8.977 23.342 ( -11.201 -3.852 7.461) 13.999 23.793 ( 1.697 -3.743 16.940) 17.431 24.409 ( 8.566 -9.143 -7.734) 14.724 24.892 ( 3.584 -8.549 -4.023) 10.105 25.354 ( -1.260 21.828 0.933) 21.884 25.980 ( -7.264 12.259 -10.841) 17.904 28.732 ( 0.951 -1.883 2.036) 2.932 28.864 ( 1.218 -3.353 -3.513) 5.007 ======================= Grid point 255 (128/185) ======================= q-point: ( 0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -0.256 27.721 3.538) 27.947 2.041 ( -4.841 8.598 -6.022) 11.559 2.327 ( 0.089 1.004 1.761) 2.029 2.532 ( 1.723 3.920 -6.638) 7.900 2.729 ( 4.063 10.801 6.553) 13.270 2.820 ( 1.489 5.180 6.864) 8.728 3.248 ( 13.192 -0.868 1.945) 13.363 3.287 ( 1.921 4.291 4.272) 6.353 3.535 ( 4.792 7.442 -1.915) 9.056 3.665 ( -2.664 -0.573 0.848) 2.854 3.891 ( 10.030 3.786 5.093) 11.869 4.026 ( 4.944 -0.095 -8.419) 9.764 4.541 ( 1.770 -2.971 7.187) 7.975 4.704 ( -5.776 -1.511 6.380) 8.738 4.948 ( -0.163 -2.619 -11.965) 12.249 5.092 ( -10.500 -3.465 -5.715) 12.446 5.505 ( -7.152 -3.156 -0.672) 7.847 5.762 ( 1.078 6.507 -4.031) 7.730 5.835 ( -2.367 -2.046 -4.866) 5.785 6.607 ( -3.028 7.589 -3.384) 8.844 6.776 ( -3.391 -0.367 1.423) 3.696 7.121 ( -3.363 9.291 1.067) 9.938 7.425 ( -0.618 1.534 3.033) 3.455 7.829 ( -6.459 1.105 1.709) 6.772 8.589 ( -3.908 1.713 6.011) 7.372 9.297 ( -2.059 -2.809 8.808) 9.471 9.899 ( 2.926 5.041 7.618) 9.592 10.640 ( 1.129 3.658 3.044) 4.891 11.207 ( -1.596 -0.616 -6.305) 6.533 11.377 ( 2.411 -3.583 -2.308) 4.896 11.570 ( 3.033 5.573 3.080) 7.053 11.857 ( 0.411 -0.141 -5.791) 5.808 12.381 ( -1.978 -4.322 7.372) 8.771 12.431 ( 7.114 -3.284 -5.687) 9.682 12.909 ( -3.386 -6.092 -2.383) 7.366 13.053 ( -0.766 -8.922 4.856) 10.187 13.787 ( 0.139 0.624 -0.783) 1.011 13.876 ( -2.423 3.546 2.294) 4.869 14.047 ( -2.390 -1.067 4.483) 5.191 14.401 ( 2.216 -4.333 -9.566) 10.732 23.213 ( -7.558 -0.300 8.005) 11.013 23.902 ( 0.202 -3.068 16.394) 16.680 24.519 ( 7.414 -12.333 -7.919) 16.425 24.929 ( 3.229 -7.337 -5.637) 9.799 25.357 ( 1.487 21.873 -0.129) 21.924 25.755 ( -9.964 13.164 -10.710) 19.680 28.758 ( 0.263 -1.998 2.790) 3.441 28.864 ( 1.164 -3.549 -3.784) 5.317 ======================= Grid point 256 (129/185) ======================= q-point: (-0.56 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.304 29.164 1.683) 29.215 1.926 ( -4.418 10.750 -4.253) 12.376 2.242 ( -8.116 2.078 -5.165) 9.842 2.522 ( 0.189 0.000 0.441) 0.480 2.823 ( 2.617 10.182 6.519) 12.370 2.860 ( -0.276 9.399 5.921) 11.112 3.336 ( 1.880 1.814 4.852) 5.510 3.446 ( 4.386 0.768 -0.190) 4.457 3.608 ( 2.885 5.976 -1.255) 6.753 3.674 ( 3.434 0.123 1.729) 3.846 3.981 ( -4.369 1.818 -0.387) 4.749 4.066 ( 3.540 0.133 -2.741) 4.479 4.605 ( -4.416 -1.385 5.924) 7.518 4.654 ( 0.095 -4.195 9.407) 10.300 4.878 ( -7.247 -1.063 -6.586) 9.850 4.939 ( 7.001 -0.955 -10.504) 12.659 5.406 ( -2.296 -4.498 -2.819) 5.784 5.744 ( -0.175 -0.560 -5.060) 5.094 5.804 ( 2.098 4.594 -4.853) 7.004 6.506 ( -4.274 7.003 -2.988) 8.731 6.756 ( -1.467 3.708 2.355) 4.631 7.089 ( -0.584 8.840 0.699) 8.887 7.419 ( -1.364 2.395 2.374) 3.638 7.754 ( -2.897 1.124 2.741) 4.143 8.572 ( -1.621 1.226 5.801) 6.146 9.308 ( -1.817 -2.595 8.408) 8.985 9.994 ( 2.531 3.805 8.373) 9.539 10.668 ( 0.276 2.150 2.214) 3.098 11.127 ( -3.035 -0.223 -5.849) 6.593 11.403 ( 1.613 -5.709 -2.289) 6.359 11.625 ( 2.123 5.725 1.178) 6.219 11.828 ( -0.051 1.011 -6.045) 6.130 12.344 ( -4.361 -3.525 3.612) 6.671 12.546 ( 6.070 -4.587 -0.885) 7.659 12.883 ( 0.985 -5.240 -1.103) 5.445 13.069 ( 0.624 -8.763 2.872) 9.242 13.778 ( -0.912 1.948 -0.530) 2.215 13.862 ( -0.180 1.292 2.109) 2.480 14.030 ( -2.688 -1.272 6.232) 6.905 14.383 ( 1.489 -4.710 -9.870) 11.037 23.157 ( -3.576 1.707 8.594) 9.464 23.979 ( -0.212 -2.480 13.164) 13.398 24.571 ( 2.182 -15.098 -5.490) 16.213 24.940 ( 1.623 -8.380 -7.584) 11.418 25.392 ( 1.947 23.611 -3.200) 23.907 25.557 ( -4.746 14.692 -6.743) 16.848 28.762 ( -1.673 -1.962 2.923) 3.898 28.874 ( 2.223 -3.681 -3.566) 5.586 ======================= Grid point 257 (130/185) ======================= q-point: (-0.44 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.236 27.158 1.310) 27.191 1.844 ( -2.936 12.207 -0.691) 12.575 2.035 ( -12.027 6.766 1.550) 13.887 2.537 ( 0.880 -2.683 0.654) 2.898 2.868 ( -0.807 6.206 4.497) 7.707 2.916 ( 3.546 12.437 4.235) 13.608 3.364 ( -2.394 0.767 2.765) 3.737 3.448 ( -2.612 4.880 0.185) 5.538 3.593 ( -7.508 2.528 1.853) 8.136 3.729 ( 1.404 0.957 -1.471) 2.247 3.875 ( -5.122 3.458 2.106) 6.529 3.997 ( -8.608 -1.162 0.589) 8.706 4.462 ( -11.542 -1.406 11.605) 16.428 4.745 ( 0.456 -0.777 -2.890) 3.027 4.823 ( 6.965 -3.505 -3.880) 8.709 5.095 ( 13.902 -1.720 -7.279) 15.786 5.399 ( 3.155 -4.695 -2.476) 6.175 5.733 ( 2.491 -2.893 -5.704) 6.864 5.828 ( 3.180 5.581 -6.211) 8.935 6.460 ( 0.682 8.955 -1.075) 9.045 6.729 ( -3.065 4.267 3.670) 6.408 7.107 ( 2.292 7.513 -0.265) 7.859 7.419 ( 0.345 3.396 2.377) 4.159 7.747 ( 0.029 1.127 3.110) 3.308 8.587 ( -0.066 0.751 5.318) 5.371 9.322 ( -1.386 -3.281 7.622) 8.413 10.069 ( 0.952 3.749 6.364) 7.447 10.672 ( -0.794 1.876 1.254) 2.392 11.043 ( -3.666 -0.061 -2.271) 4.313 11.414 ( 1.440 -7.212 -3.206) 8.023 11.668 ( 2.415 5.801 -0.022) 6.284 11.793 ( -0.432 2.413 -5.098) 5.657 12.277 ( -5.067 -3.901 3.728) 7.402 12.628 ( 3.416 -5.182 -0.432) 6.221 12.895 ( 0.561 -4.532 -2.691) 5.301 13.124 ( 4.644 -9.074 0.588) 10.211 13.754 ( -1.446 2.144 0.704) 2.680 13.889 ( 1.917 1.100 0.928) 2.397 14.018 ( -2.604 -0.537 7.289) 7.759 14.345 ( -0.211 -4.730 -8.990) 10.160 23.172 ( -0.074 1.932 8.811) 9.021 24.051 ( 2.160 -2.864 8.573) 9.293 24.551 ( -2.246 -16.559 0.399) 16.715 24.894 ( -1.900 -11.524 -9.773) 15.229 25.358 ( -2.066 22.154 -1.722) 22.317 25.550 ( 5.433 20.804 -6.670) 22.512 28.736 ( -2.527 -2.007 2.884) 4.328 28.899 ( 2.286 -3.588 -3.484) 5.499 ======================= Grid point 258 (131/185) ======================= q-point: (-0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -4.180 20.157 5.246) 21.244 1.821 ( 0.674 12.298 0.363) 12.322 1.866 ( -10.342 12.316 12.548) 20.398 2.558 ( 1.244 -1.684 -0.476) 2.147 2.861 ( -2.913 3.741 3.646) 5.981 3.002 ( 4.074 11.757 -0.770) 12.467 3.193 ( -18.733 3.435 6.237) 20.040 3.353 ( -15.238 1.758 1.031) 15.373 3.424 ( -1.184 7.355 2.494) 7.856 3.725 ( -0.993 -0.889 -0.510) 1.427 3.794 ( -6.916 0.964 -0.907) 7.041 3.891 ( -1.999 2.400 4.044) 5.110 4.379 ( -4.788 -0.369 11.706) 12.652 4.713 ( 0.133 0.196 -3.751) 3.758 4.952 ( 7.921 -5.581 -4.627) 10.738 5.295 ( 11.321 -3.542 -9.028) 14.906 5.494 ( 7.410 -3.523 2.687) 8.633 5.769 ( 4.423 -2.538 -6.327) 8.126 5.844 ( 2.621 3.735 -7.486) 8.767 6.492 ( 1.094 11.682 1.478) 11.826 6.720 ( 1.218 1.185 4.088) 4.427 7.161 ( 3.803 6.976 -0.872) 7.993 7.453 ( 1.569 2.914 2.044) 3.890 7.784 ( 2.202 1.787 3.409) 4.435 8.627 ( 1.426 0.505 4.843) 5.073 9.339 ( -1.058 -4.959 6.528) 8.266 10.084 ( -1.743 4.481 1.300) 4.981 10.663 ( -0.779 2.355 1.486) 2.891 10.974 ( -3.817 1.398 2.394) 4.717 11.419 ( 1.141 -8.156 -4.506) 9.388 11.713 ( 2.891 5.667 -2.272) 6.756 11.765 ( -0.087 3.206 -2.548) 4.096 12.202 ( -5.697 -4.479 5.134) 8.881 12.669 ( 1.886 -5.100 -1.834) 5.739 12.868 ( -1.145 -4.679 -3.920) 6.210 13.229 ( 6.574 -9.753 -2.155) 11.958 13.740 ( -0.678 2.042 1.425) 2.580 13.929 ( 1.605 1.679 0.816) 2.462 14.021 ( -0.974 1.449 6.926) 7.142 14.279 ( -2.269 -4.127 -6.775) 8.251 23.240 ( 2.238 0.424 8.207) 8.517 24.152 ( 5.626 -3.883 0.907) 6.895 24.522 ( -3.178 -19.081 10.477) 21.999 24.758 ( -6.738 -15.213 -12.152) 20.603 25.344 ( 0.693 22.155 1.168) 22.197 25.629 ( 7.541 26.788 -7.413) 28.800 28.714 ( -1.431 -2.112 3.062) 3.985 28.904 ( -0.001 -3.225 -3.860) 5.030 ======================= Grid point 259 (132/185) ======================= q-point: (-0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -5.895 12.098 13.239) 18.878 1.762 ( -11.747 13.389 18.016) 25.335 1.873 ( 4.490 11.908 -0.167) 12.728 2.562 ( -1.966 0.598 0.510) 2.118 2.740 ( -14.204 1.933 11.363) 18.292 2.940 ( -7.662 9.956 -5.646) 13.773 2.952 ( -10.765 5.656 3.272) 12.593 3.193 ( 0.757 4.148 -0.676) 4.270 3.425 ( -0.434 9.694 2.020) 9.911 3.642 ( -7.525 3.319 6.047) 10.208 3.734 ( -0.309 -3.680 -1.414) 3.955 3.888 ( -0.432 3.028 -0.320) 3.076 4.372 ( -3.430 0.327 10.706) 11.247 4.740 ( 5.158 -1.118 -4.007) 6.626 5.062 ( 7.477 -6.129 -5.241) 10.997 5.403 ( 6.321 -5.087 -6.656) 10.494 5.670 ( 8.521 -2.841 3.847) 9.771 5.801 ( 2.317 0.139 -5.850) 6.294 5.843 ( 1.453 1.058 -6.747) 6.982 6.492 ( -1.466 13.018 2.854) 13.408 6.824 ( 6.412 -2.795 4.428) 8.278 7.231 ( 4.462 6.773 -1.649) 8.277 7.473 ( -0.502 1.556 0.268) 1.656 7.867 ( 4.321 2.451 4.919) 6.991 8.691 ( 2.780 0.177 4.569) 5.351 9.350 ( -1.380 -7.429 5.098) 9.115 10.023 ( -4.001 5.870 -3.373) 7.864 10.655 ( -1.185 3.599 0.661) 3.846 10.945 ( -1.825 3.305 7.682) 8.560 11.394 ( -1.243 -7.942 -5.857) 9.946 11.724 ( 0.401 7.074 -6.902) 9.892 11.762 ( 0.008 2.576 -0.068) 2.577 12.155 ( -1.696 -6.382 6.791) 9.473 12.662 ( -0.892 -3.954 -6.509) 7.668 12.839 ( -0.073 -5.906 0.475) 5.926 13.316 ( 4.814 -10.559 -5.241) 12.734 13.745 ( 0.329 2.240 1.436) 2.681 13.951 ( 0.180 2.023 1.944) 2.812 14.058 ( 1.308 4.477 4.368) 6.390 14.206 ( -2.386 -3.230 -2.075) 4.520 23.335 ( 3.286 -1.946 7.941) 8.812 24.228 ( 4.011 -4.381 -6.425) 8.750 24.509 ( -12.723 -21.011 -8.268) 25.918 24.580 ( 1.240 -18.970 10.400) 21.669 25.382 ( 2.309 22.780 0.844) 22.912 25.761 ( 10.523 29.875 -3.437) 31.860 28.720 ( 0.266 -2.154 3.117) 3.798 28.854 ( -3.048 -2.390 -3.742) 5.386 ======================= Grid point 260 (133/185) ======================= q-point: (-0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -3.349 9.375 17.193) 19.867 1.610 ( -15.013 8.032 20.568) 26.701 1.973 ( 6.635 10.992 -1.012) 12.879 2.482 ( -9.065 6.697 17.723) 21.002 2.624 ( -6.551 0.022 -6.222) 9.035 2.695 ( -5.663 4.490 -2.165) 7.544 2.890 ( -3.869 11.444 5.488) 13.269 3.252 ( 5.171 5.182 -2.954) 7.894 3.425 ( -0.340 10.490 0.638) 10.515 3.567 ( -3.872 4.721 3.075) 6.836 3.729 ( 0.011 -3.861 1.773) 4.249 3.869 ( -0.766 2.531 -1.809) 3.204 4.370 ( -2.821 -0.104 10.313) 10.693 4.826 ( 6.686 -2.422 -7.853) 10.594 5.163 ( 6.554 -6.361 -6.093) 10.979 5.467 ( 2.771 -7.052 -2.335) 7.929 5.792 ( 0.482 1.740 -4.823) 5.150 5.806 ( 4.050 -1.628 1.305) 4.556 5.833 ( 1.183 0.499 -1.967) 2.349 6.495 ( 0.379 12.783 2.392) 13.011 6.955 ( 4.496 -5.843 4.972) 8.892 7.296 ( 3.563 6.292 -2.442) 7.632 7.442 ( -2.354 1.118 -0.446) 2.644 7.974 ( 3.662 1.839 5.630) 6.964 8.765 ( 2.150 -0.832 4.603) 5.148 9.337 ( -2.735 -8.404 4.278) 9.819 9.923 ( -4.247 8.043 -4.688) 10.232 10.618 ( -2.751 5.833 -0.196) 6.452 10.992 ( 1.057 3.019 10.061) 10.558 11.308 ( -4.355 -5.355 -4.885) 8.456 11.640 ( -3.596 8.388 -8.280) 12.323 11.782 ( 1.794 0.900 1.135) 2.306 12.221 ( 4.907 -8.633 2.309) 10.195 12.570 ( -3.921 -3.108 -9.376) 10.628 12.875 ( 1.608 -7.147 5.782) 9.332 13.339 ( 1.424 -10.643 -7.295) 12.981 13.761 ( 0.562 2.085 0.867) 2.327 13.963 ( 0.081 3.581 1.785) 4.002 14.095 ( 0.936 6.263 0.861) 6.390 14.199 ( 1.404 -3.075 3.868) 5.137 23.438 ( 3.041 -4.056 8.771) 10.131 24.178 ( -17.110 -17.099 -8.483) 25.633 24.246 ( 1.965 -5.952 -4.702) 7.835 24.687 ( 3.852 -19.798 6.446) 21.174 25.419 ( 1.426 24.176 -0.596) 24.225 25.952 ( 10.798 25.079 -1.658) 27.355 28.754 ( 1.709 -1.968 2.657) 3.722 28.773 ( -3.345 -1.617 -2.350) 4.396 ======================= Grid point 261 (134/185) ======================= q-point: ( 0.00 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 1.428 8.696 20.880) 22.663 1.765 ( 0.506 10.415 11.887) 15.812 2.283 ( 5.979 7.090 3.111) 9.783 2.352 ( -4.023 -3.162 -8.406) 9.841 2.670 ( -7.380 10.479 7.090) 14.648 2.875 ( 2.922 14.564 -5.721) 15.917 3.167 ( -4.395 16.618 15.143) 22.908 3.390 ( 3.509 1.533 3.271) 5.036 3.615 ( 0.418 11.636 -5.432) 12.849 3.672 ( 3.486 -4.599 1.448) 5.949 3.744 ( -1.116 12.324 -1.133) 12.426 3.876 ( -2.307 2.348 1.563) 3.644 4.358 ( -2.486 -2.212 8.897) 9.498 4.797 ( 3.238 -4.619 -8.808) 10.459 5.034 ( 1.177 -11.021 -5.606) 12.421 5.297 ( -0.830 -8.182 -3.142) 8.803 5.816 ( 0.163 -0.858 0.769) 1.163 5.843 ( 2.045 1.523 -0.476) 2.594 5.886 ( 1.349 3.249 -4.341) 5.588 6.795 ( 0.083 2.362 1.355) 2.724 6.881 ( 0.368 6.060 2.236) 6.469 7.426 ( -1.639 3.084 -0.745) 3.571 7.493 ( 0.759 9.615 -0.484) 9.657 8.021 ( -0.844 -2.919 2.980) 4.255 8.793 ( -2.258 2.093 6.735) 7.406 9.201 ( -1.415 -4.647 6.283) 7.942 10.039 ( -0.868 11.188 -2.983) 11.611 10.696 ( 0.016 2.551 3.421) 4.267 11.060 ( -3.048 4.256 3.107) 6.088 11.320 ( 3.965 5.117 4.842) 8.084 11.667 ( -3.841 5.738 -6.996) 9.830 11.832 ( 2.190 0.518 -3.036) 3.779 12.115 ( 3.568 -10.471 1.903) 11.224 12.372 ( -3.285 -4.335 -10.412) 11.747 12.736 ( 0.312 -12.077 7.252) 14.091 13.055 ( -1.028 -14.090 -7.897) 16.185 13.781 ( 0.082 -0.026 0.621) 0.627 14.048 ( -1.157 1.458 1.542) 2.417 14.217 ( -1.563 4.163 2.188) 4.956 14.245 ( 4.868 2.261 -0.663) 5.409 23.387 ( -0.829 -8.336 7.162) 11.021 23.636 ( -10.595 -8.583 6.434) 15.078 24.160 ( 2.097 -4.416 -3.328) 5.914 24.483 ( 7.017 -14.079 -0.340) 15.734 25.910 ( -1.200 24.904 0.583) 24.939 26.428 ( 2.118 15.872 -7.353) 17.620 28.680 ( -1.572 -2.569 -0.707) 3.094 28.749 ( 2.034 -3.612 0.671) 4.200 ======================= Grid point 262 (135/185) ======================= q-point: ( 0.11 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 2.399 13.131 8.618) 15.889 2.039 ( 17.516 7.881 16.283) 25.180 2.324 ( 3.478 -3.411 -4.410) 6.571 2.423 ( 9.550 6.043 -2.623) 11.601 2.579 ( -4.879 10.760 4.176) 12.530 2.863 ( -1.207 15.922 -3.155) 16.276 3.161 ( -4.015 10.927 11.286) 16.214 3.483 ( 1.583 5.090 3.799) 6.546 3.609 ( 4.511 9.566 -3.253) 11.066 3.710 ( -2.178 10.665 2.115) 11.089 3.771 ( 4.704 -0.128 -3.959) 6.150 3.836 ( -1.173 1.032 2.374) 2.842 4.376 ( -0.705 -3.200 8.784) 9.375 4.784 ( -0.660 -4.424 -4.692) 6.482 4.989 ( -1.589 -9.633 -7.234) 12.151 5.248 ( -2.502 -7.562 -4.197) 9.003 5.766 ( -5.436 -0.440 -0.372) 5.466 5.868 ( 1.611 5.334 -1.984) 5.914 5.895 ( 1.004 -1.241 -4.177) 4.471 6.790 ( -1.964 -5.117 1.549) 5.696 6.890 ( 0.187 13.095 0.774) 13.119 7.405 ( -0.778 3.997 0.431) 4.094 7.483 ( -1.274 10.048 -0.399) 10.137 8.001 ( -3.085 -3.579 2.835) 5.511 8.764 ( -4.778 3.004 6.708) 8.767 9.207 ( -1.758 -4.062 6.306) 7.705 10.007 ( -1.135 12.739 -0.809) 12.815 10.730 ( 0.968 5.954 2.893) 6.690 11.049 ( 0.696 -0.056 3.281) 3.355 11.443 ( 5.411 5.644 7.297) 10.695 11.559 ( -3.471 5.286 -8.800) 10.836 11.851 ( 2.042 -0.812 -4.193) 4.734 12.186 ( 2.321 -9.237 3.532) 10.158 12.282 ( -0.202 -4.717 -9.393) 10.513 12.776 ( -0.517 -12.557 7.974) 14.884 12.971 ( -3.523 -13.017 -7.829) 15.593 13.785 ( 0.078 -0.091 0.512) 0.525 14.033 ( -1.557 2.067 1.977) 3.257 14.160 ( -4.784 3.660 0.978) 6.103 14.314 ( 2.951 -0.967 -2.707) 4.120 23.353 ( -6.567 -7.865 6.678) 12.230 23.593 ( -0.228 -5.535 12.010) 13.226 24.201 ( 4.798 -4.279 -4.980) 8.132 24.601 ( 7.461 -12.663 -4.807) 15.464 25.864 ( -3.886 24.845 1.488) 25.191 26.384 ( -2.779 14.185 -7.076) 16.093 28.666 ( -0.056 -2.811 0.791) 2.921 28.778 ( 1.216 -4.374 -1.237) 4.706 ======================= Grid point 263 (136/185) ======================= q-point: ( 0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 5.264 13.178 2.561) 14.420 2.249 ( -3.569 4.918 2.638) 6.624 2.474 ( 7.416 8.926 4.099) 12.307 2.601 ( 10.522 8.609 -4.885) 14.447 2.646 ( 15.333 4.342 3.380) 16.290 2.833 ( 0.191 15.531 3.549) 15.933 3.153 ( -1.598 5.637 6.281) 8.589 3.467 ( -2.921 9.943 1.236) 10.436 3.657 ( 0.196 8.334 -1.404) 8.453 3.713 ( -4.550 -1.585 -1.611) 5.080 3.793 ( 8.560 8.426 6.384) 13.602 3.937 ( 8.133 0.356 -3.632) 8.914 4.420 ( 0.067 -3.962 8.024) 8.949 4.726 ( -4.916 -4.134 3.326) 7.234 4.928 ( 1.146 -5.595 -12.505) 13.747 5.155 ( -4.882 -7.274 -6.195) 10.729 5.628 ( -8.985 -0.600 -0.892) 9.049 5.848 ( -2.944 -2.567 -3.926) 5.538 5.897 ( 2.452 6.514 -3.202) 7.662 6.735 ( -4.611 -6.991 1.409) 8.492 6.907 ( 1.482 17.064 -0.335) 17.132 7.389 ( -1.546 9.594 0.118) 9.719 7.461 ( -0.922 5.524 1.228) 5.734 7.939 ( -5.461 -1.611 2.982) 6.427 8.701 ( -5.573 3.867 6.139) 9.148 9.210 ( -1.613 -4.453 6.680) 8.189 10.003 ( 0.403 11.537 1.993) 11.715 10.741 ( -1.332 7.157 3.177) 7.942 11.112 ( 3.550 -4.111 2.037) 5.801 11.442 ( -4.165 2.890 -6.906) 8.567 11.582 ( 5.364 6.213 4.849) 9.533 11.861 ( 1.784 -0.398 -5.085) 5.404 12.227 ( 1.058 -6.403 2.718) 7.036 12.285 ( 4.168 -6.491 -4.891) 9.134 12.799 ( -1.922 -12.388 6.846) 14.284 12.859 ( -3.507 -12.016 -6.136) 13.940 13.790 ( 0.177 0.108 0.512) 0.552 14.008 ( -2.821 3.919 2.145) 5.284 14.073 ( -4.873 -0.035 1.686) 5.157 14.324 ( 0.878 -3.588 -5.490) 6.617 23.271 ( -6.102 -2.867 7.448) 10.046 23.694 ( 2.105 -6.416 15.571) 16.972 24.273 ( 6.673 -4.812 -8.166) 11.592 24.697 ( 6.860 -10.918 -8.043) 15.197 25.808 ( -2.860 23.939 2.033) 24.195 26.250 ( -7.635 14.567 -6.901) 17.836 28.681 ( 0.664 -3.279 1.868) 3.831 28.783 ( 0.569 -4.781 -2.342) 5.354 ======================= Grid point 264 (137/185) ======================= q-point: ( 0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 4.447 14.084 -1.484) 14.844 2.162 ( -5.141 4.098 1.678) 6.785 2.518 ( -0.416 19.453 -2.561) 19.625 2.666 ( -0.462 10.138 -3.310) 10.675 2.863 ( 7.313 3.533 2.811) 8.595 3.023 ( 5.038 14.725 10.925) 19.015 3.241 ( 12.734 0.411 1.357) 12.812 3.426 ( -3.361 9.534 6.680) 12.116 3.624 ( -3.380 -2.624 0.694) 4.335 3.693 ( 4.075 6.686 -1.412) 7.956 3.986 ( 8.949 5.903 2.669) 11.048 4.035 ( 5.170 0.912 -8.622) 10.094 4.449 ( -1.323 -6.710 9.211) 11.473 4.668 ( -4.503 -2.122 6.740) 8.379 4.900 ( 3.529 -2.031 -13.993) 14.574 5.006 ( -6.890 -5.145 -7.867) 11.655 5.452 ( -8.931 -1.732 -1.255) 9.183 5.754 ( -4.212 -4.202 -4.572) 7.503 5.928 ( 2.725 8.368 -2.996) 9.297 6.652 ( -4.831 -3.575 0.916) 6.079 6.934 ( 1.522 17.065 -0.375) 17.137 7.349 ( -2.357 13.301 -1.075) 13.551 7.467 ( 0.054 2.833 3.325) 4.368 7.846 ( -6.059 0.503 3.156) 6.851 8.642 ( -4.195 3.780 5.435) 7.837 9.220 ( -1.487 -5.185 7.212) 9.005 10.041 ( 1.755 9.639 4.373) 10.729 10.731 ( -1.587 5.272 3.764) 6.670 11.152 ( -0.187 -4.682 -1.794) 5.017 11.349 ( -1.795 0.129 -5.090) 5.399 11.679 ( 3.075 5.726 2.434) 6.940 11.863 ( 1.509 1.015 -4.892) 5.219 12.268 ( -0.701 -7.138 7.505) 10.381 12.347 ( 6.115 -5.384 -6.825) 10.628 12.745 ( -2.273 -10.689 -2.374) 11.183 12.838 ( -0.345 -12.626 3.672) 13.154 13.801 ( 0.827 0.773 0.557) 1.262 13.941 ( -5.122 2.833 1.946) 6.169 14.025 ( -2.272 -1.213 3.267) 4.160 14.299 ( 0.424 -5.797 -7.212) 9.263 23.220 ( -4.135 1.337 8.408) 9.465 23.812 ( 0.942 -6.191 17.106) 18.216 24.336 ( 5.265 -6.417 -10.214) 13.161 24.758 ( 5.182 -9.854 -10.682) 15.429 25.796 ( 0.905 22.788 1.081) 22.832 26.054 ( -9.471 16.700 -5.494) 19.969 28.703 ( 0.435 -3.631 2.165) 4.250 28.778 ( 0.459 -5.008 -2.441) 5.590 ======================= Grid point 265 (138/185) ======================= q-point: (-0.56 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -1.572 12.829 -1.353) 12.996 2.115 ( -1.453 5.866 0.596) 6.072 2.459 ( -4.154 25.123 -1.802) 25.528 2.617 ( -2.488 8.906 -1.831) 9.427 2.973 ( 2.636 6.517 3.567) 7.883 3.086 ( 0.326 10.890 6.031) 12.453 3.416 ( -1.929 6.788 8.964) 11.408 3.486 ( 7.103 3.586 4.571) 9.176 3.595 ( 0.245 -3.450 0.444) 3.487 3.793 ( 5.863 7.284 0.434) 9.361 4.001 ( -2.721 0.194 -8.308) 8.744 4.101 ( 0.682 3.602 -0.457) 3.694 4.519 ( 4.873 -7.670 5.345) 10.542 4.583 ( -10.713 -3.141 9.706) 14.793 4.862 ( -2.243 -0.412 -9.183) 9.462 4.923 ( 7.142 -0.552 -11.899) 13.889 5.323 ( -3.658 -3.325 -2.150) 5.390 5.671 ( -1.744 -5.267 -4.763) 7.312 5.960 ( 2.560 9.447 -3.363) 10.350 6.585 ( -2.615 0.040 0.698) 2.707 6.950 ( -0.041 16.954 0.556) 16.963 7.299 ( -1.912 11.249 -1.833) 11.556 7.496 ( 0.891 6.219 4.019) 7.458 7.773 ( -3.482 0.686 3.325) 4.863 8.613 ( -2.059 3.091 4.872) 6.126 9.229 ( -1.885 -5.688 7.410) 9.530 10.106 ( 2.301 7.811 5.152) 9.636 10.725 ( -1.249 3.456 3.389) 4.999 11.094 ( -4.072 -3.564 -1.245) 5.553 11.317 ( 0.573 -2.743 -5.298) 5.993 11.729 ( 2.042 4.778 0.007) 5.196 11.866 ( 1.644 3.274 -4.371) 5.704 12.250 ( -5.050 -6.120 6.285) 10.122 12.427 ( 5.433 -7.352 -4.125) 10.029 12.743 ( 2.823 -9.245 -1.539) 9.788 12.852 ( 0.414 -12.880 1.784) 13.010 13.821 ( 0.271 2.346 0.057) 2.362 13.874 ( -2.517 -0.193 2.915) 3.856 14.011 ( -1.485 -0.550 4.002) 4.304 14.266 ( 0.412 -6.977 -7.620) 10.340 23.211 ( -2.268 4.050 9.560) 10.627 23.905 ( -0.444 -5.290 15.903) 16.765 24.342 ( 1.044 -8.507 -8.950) 12.392 24.760 ( 1.708 -10.052 -12.614) 16.219 25.847 ( 3.315 22.938 -3.431) 23.429 25.884 ( -4.863 18.393 -0.790) 19.041 28.709 ( -1.360 -3.397 2.256) 4.299 28.783 ( 1.744 -5.465 -2.428) 6.229 ======================= Grid point 266 (139/185) ======================= q-point: (-0.44 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -4.911 10.978 0.744) 12.049 2.073 ( -3.337 8.501 1.926) 9.334 2.367 ( -6.189 26.639 2.909) 27.503 2.589 ( 0.998 9.663 -1.432) 9.819 2.997 ( -1.983 6.387 3.380) 7.493 3.135 ( 2.599 8.875 3.014) 9.726 3.413 ( -4.638 4.915 7.106) 9.806 3.542 ( -1.575 2.371 5.153) 5.887 3.600 ( -3.872 1.650 2.835) 5.074 3.837 ( 0.028 8.002 -7.413) 10.909 3.931 ( -3.153 1.675 5.302) 6.392 3.978 ( -9.873 0.115 -2.993) 10.317 4.425 ( -9.983 -2.362 10.241) 14.496 4.661 ( 6.914 -7.721 0.815) 10.396 4.804 ( 0.585 1.548 -8.566) 8.724 5.050 ( 12.194 -2.833 -9.813) 15.906 5.310 ( 3.411 -3.694 -1.467) 5.238 5.649 ( 2.309 -5.363 -4.992) 7.682 5.976 ( 1.286 9.155 -4.225) 10.164 6.579 ( 1.480 1.553 1.041) 2.385 6.930 ( -2.738 17.459 1.466) 17.733 7.281 ( 1.226 9.138 -1.301) 9.311 7.532 ( 0.730 8.904 2.912) 9.396 7.763 ( 0.359 0.238 3.510) 3.536 8.618 ( -0.198 2.614 4.654) 5.342 9.230 ( -2.343 -6.262 7.206) 9.830 10.166 ( 1.499 6.261 3.144) 7.164 10.717 ( -1.412 2.207 2.299) 3.485 11.026 ( -3.671 -1.878 3.673) 5.522 11.301 ( 1.205 -3.805 -6.342) 7.493 11.758 ( 1.475 3.085 -0.981) 3.557 11.873 ( 1.566 6.269 -4.411) 7.824 12.178 ( -5.941 -6.127 5.654) 10.238 12.489 ( 3.168 -8.884 -1.658) 9.577 12.779 ( 1.319 -7.218 -4.069) 8.390 12.896 ( 4.568 -14.059 -0.157) 14.784 13.792 ( -2.447 1.397 1.599) 3.240 13.903 ( 2.748 0.597 1.641) 3.255 14.017 ( -0.160 0.369 4.394) 4.413 14.229 ( -0.284 -6.872 -7.000) 9.814 23.234 ( -1.188 4.609 9.833) 10.924 23.975 ( 0.111 -5.062 12.621) 13.599 24.288 ( -2.996 -10.492 -3.230) 11.380 24.677 ( -3.184 -11.184 -13.559) 17.862 25.784 ( -2.171 22.032 -0.344) 22.142 25.968 ( 8.520 21.522 -4.667) 23.613 28.684 ( -2.314 -3.249 2.108) 4.512 28.809 ( 2.172 -5.490 -2.312) 6.341 ======================= Grid point 267 (140/185) ======================= q-point: (-0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -9.709 11.087 5.591) 15.762 2.055 ( -0.354 9.952 3.836) 10.672 2.256 ( -10.135 21.599 8.684) 25.390 2.634 ( 4.654 11.975 -2.498) 13.088 2.935 ( -7.094 3.736 3.019) 8.567 3.190 ( -0.653 2.245 -0.162) 2.344 3.284 ( -8.808 10.210 3.445) 13.917 3.442 ( -14.981 6.302 5.273) 17.087 3.547 ( -2.367 5.325 9.196) 10.887 3.725 ( -3.281 -0.060 -5.868) 6.723 3.864 ( -3.007 6.668 -3.877) 8.279 3.921 ( -1.645 1.019 6.462) 6.746 4.371 ( -2.590 -0.748 9.757) 10.123 4.714 ( -0.418 -1.401 -1.765) 2.291 4.823 ( 6.293 -5.999 -6.977) 11.147 5.198 ( 8.994 -6.163 -10.092) 14.857 5.429 ( 9.278 -2.566 1.170) 9.697 5.693 ( 4.949 -4.658 -4.645) 8.232 5.962 ( -0.059 7.851 -4.811) 9.208 6.642 ( 4.240 -0.060 1.446) 4.480 6.880 ( -3.297 18.296 1.804) 18.678 7.323 ( 3.517 8.668 -0.463) 9.366 7.545 ( -0.524 6.756 0.858) 6.830 7.821 ( 3.470 2.032 4.051) 5.708 8.654 ( 1.299 2.560 4.939) 5.713 9.222 ( -2.697 -6.884 6.701) 9.978 10.179 ( -0.927 5.013 -1.169) 5.231 10.705 ( -1.189 0.861 2.840) 3.197 11.006 ( -1.990 2.055 7.855) 8.360 11.297 ( 2.058 -3.591 -6.535) 7.735 11.772 ( 0.532 0.742 -0.379) 0.989 11.877 ( 1.651 7.997 -4.487) 9.318 12.100 ( -5.888 -5.653 4.964) 9.553 12.530 ( 2.236 -9.125 -0.884) 9.436 12.747 ( -1.235 -7.634 -6.419) 10.050 12.993 ( 6.114 -14.010 -2.674) 15.518 13.769 ( -1.169 0.878 2.118) 2.574 13.962 ( 2.462 1.906 1.751) 3.572 14.060 ( 2.283 1.710 4.022) 4.931 14.182 ( -0.944 -5.181 -5.485) 7.604 23.267 ( -0.719 2.725 8.593) 9.044 24.057 ( 3.068 -6.130 7.439) 10.116 24.208 ( -6.578 -12.910 5.955) 15.665 24.505 ( -7.215 -11.777 -13.617) 19.395 25.783 ( 1.466 23.079 1.173) 23.155 26.110 ( 10.529 22.525 -7.372) 25.934 28.661 ( -1.274 -3.165 2.334) 4.133 28.822 ( 0.405 -5.033 -2.644) 5.700 ======================= Grid point 268 (141/185) ======================= q-point: (-0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -9.224 10.593 11.909) 18.415 2.056 ( -14.157 11.262 9.361) 20.368 2.100 ( -1.391 11.948 7.567) 14.211 2.714 ( 5.465 14.825 -3.443) 16.170 2.782 ( -11.451 2.323 5.501) 12.915 2.986 ( -15.093 1.020 -1.120) 15.169 3.202 ( -5.984 13.240 3.133) 14.863 3.331 ( 0.623 9.216 4.366) 10.217 3.554 ( -2.265 2.224 9.156) 9.691 3.686 ( 0.279 -0.469 -3.149) 3.196 3.788 ( -2.354 10.901 -2.274) 11.382 3.928 ( -1.126 1.946 2.734) 3.539 4.380 ( -2.718 0.148 8.227) 8.666 4.714 ( 2.938 -1.634 -3.746) 5.034 4.911 ( 6.742 -9.003 -5.356) 12.457 5.273 ( 5.208 -7.725 -7.965) 12.257 5.614 ( 9.285 -2.495 1.179) 9.686 5.759 ( 4.047 -2.945 -2.677) 5.676 5.930 ( -0.459 6.542 -4.702) 8.069 6.727 ( 3.763 -2.694 1.718) 4.936 6.843 ( -1.663 17.990 2.092) 18.187 7.391 ( 4.054 8.826 -0.565) 9.729 7.522 ( -1.957 3.759 -0.701) 4.295 7.916 ( 4.030 2.573 4.376) 6.482 8.714 ( 1.950 2.461 5.594) 6.415 9.207 ( -2.684 -6.967 6.171) 9.686 10.129 ( -2.391 5.068 -3.978) 6.872 10.704 ( -1.149 -0.028 3.836) 4.005 11.033 ( -0.416 5.690 9.643) 11.204 11.294 ( 1.143 -1.460 -6.474) 6.734 11.779 ( 0.147 -0.360 1.210) 1.271 11.873 ( 0.206 7.220 -6.828) 9.940 12.028 ( -3.568 -5.595 4.185) 7.846 12.554 ( 0.806 -7.227 -3.482) 8.063 12.686 ( -1.434 -9.381 -3.531) 10.126 13.069 ( 4.371 -14.438 -5.384) 16.017 13.768 ( -0.172 0.471 1.722) 1.793 14.018 ( 2.864 4.712 2.028) 5.875 14.105 ( -0.597 -3.583 2.394) 4.351 14.169 ( 2.850 2.950 -1.590) 4.400 23.302 ( -0.023 -0.865 7.284) 7.336 24.086 ( -10.373 -13.682 4.514) 17.753 24.158 ( 2.597 -9.615 2.528) 10.275 24.321 ( -4.433 -10.529 -4.578) 12.307 25.835 ( 3.231 23.739 1.096) 23.983 26.263 ( 10.532 21.991 -7.984) 25.656 28.667 ( 0.515 -3.130 2.502) 4.040 28.792 ( -2.052 -3.932 -2.755) 5.221 ======================= Grid point 269 (142/185) ======================= q-point: (-0.11 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -6.115 7.930 16.894) 19.639 1.820 ( -14.256 10.941 14.761) 23.255 2.172 ( 3.843 8.557 4.760) 10.519 2.555 ( -13.129 -2.335 -4.237) 13.992 2.752 ( -4.475 13.919 5.210) 15.522 2.833 ( 2.131 10.244 -3.072) 10.905 3.163 ( -3.647 15.541 11.683) 19.781 3.352 ( 0.367 4.634 0.409) 4.666 3.581 ( 1.028 1.581 5.474) 5.789 3.672 ( -0.282 1.810 -3.232) 3.716 3.760 ( 0.081 13.127 -2.318) 13.331 3.906 ( -2.261 2.177 1.898) 3.668 4.365 ( -3.326 -0.687 8.339) 9.004 4.764 ( 4.971 -3.773 -7.250) 9.566 4.999 ( 5.603 -10.241 -5.296) 12.819 5.307 ( 2.241 -8.672 -4.932) 10.225 5.754 ( 5.528 -1.955 0.391) 5.877 5.808 ( 2.231 -0.753 0.265) 2.370 5.900 ( -0.024 5.659 -4.428) 7.186 6.780 ( 0.962 1.764 1.565) 2.547 6.851 ( 1.007 9.635 2.555) 10.019 7.453 ( 2.616 8.927 -2.036) 9.522 7.477 ( -1.945 2.853 0.109) 3.454 7.995 ( 1.871 0.162 3.799) 4.238 8.772 ( 0.588 2.024 6.246) 6.592 9.197 ( -1.941 -5.936 6.112) 8.738 10.072 ( -1.129 7.457 -4.061) 8.566 10.697 ( -1.791 0.617 3.803) 4.249 11.077 ( -1.065 6.211 8.039) 10.215 11.273 ( 0.460 2.168 -3.081) 3.796 11.770 ( -3.915 1.869 -0.632) 4.384 11.816 ( 1.198 5.009 -6.877) 8.592 12.044 ( 2.516 -8.426 2.525) 9.149 12.491 ( -3.042 -4.846 -9.982) 11.506 12.690 ( 0.811 -11.485 4.846) 12.492 13.090 ( 1.718 -14.577 -7.218) 16.357 13.775 ( 0.060 0.105 0.924) 0.932 14.058 ( -0.298 3.126 0.865) 3.257 14.136 ( 3.908 -1.079 3.464) 5.333 14.219 ( 1.846 5.957 0.207) 6.240 23.345 ( 0.522 -4.751 7.006) 8.481 23.856 ( -15.178 -14.180 3.439) 21.054 24.161 ( 0.725 -4.518 -6.020) 7.562 24.358 ( 4.727 -14.137 5.578) 15.916 25.895 ( 2.346 24.347 0.473) 24.465 26.385 ( 7.102 19.033 -7.755) 21.745 28.702 ( 1.767 -3.257 1.827) 4.131 28.731 ( -2.729 -2.714 -1.763) 4.234 ======================= Grid point 270 (143/185) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 5.318 9.166 14.522) 17.978 1.973 ( -1.752 11.460 8.382) 14.306 2.277 ( -3.302 -4.306 -0.706) 5.472 2.372 ( 2.991 2.024 -0.196) 3.617 2.864 ( -4.612 9.593 6.109) 12.273 3.159 ( 4.368 12.514 -5.922) 14.517 3.376 ( -5.306 2.605 4.495) 7.426 3.488 ( 2.367 8.903 11.064) 14.397 3.569 ( 2.873 -3.763 1.375) 4.930 3.729 ( -0.932 0.203 0.372) 1.023 3.919 ( -1.192 7.605 -4.594) 8.965 4.044 ( -1.802 10.930 8.539) 13.986 4.293 ( -3.101 -3.899 5.417) 7.359 4.694 ( -0.249 -7.246 0.934) 7.311 4.857 ( 4.287 -4.722 -12.806) 14.306 5.149 ( 1.229 -7.413 -8.745) 11.530 5.807 ( 0.558 -0.031 0.956) 1.108 5.843 ( 2.750 -0.636 -0.728) 2.915 6.002 ( -0.449 7.938 -2.092) 8.221 6.609 ( -1.183 -11.607 1.266) 11.736 7.233 ( 0.855 18.965 0.257) 18.986 7.489 ( -1.739 3.833 -0.855) 4.295 7.678 ( 2.315 8.176 1.543) 8.637 7.950 ( -3.035 -3.583 0.442) 4.716 8.866 ( -2.113 5.001 7.741) 9.455 9.127 ( -0.985 -3.398 6.372) 7.288 10.241 ( 1.883 9.810 -1.009) 10.040 10.665 ( 1.627 -4.388 4.171) 6.269 11.219 ( -4.026 10.734 2.797) 11.800 11.430 ( 3.876 6.162 6.562) 9.801 11.709 ( -2.978 -1.965 1.318) 3.803 11.860 ( 0.824 -0.238 -7.179) 7.230 11.943 ( 2.117 -4.659 -1.908) 5.461 12.283 ( -2.343 -5.291 -12.454) 13.733 12.519 ( 0.133 -9.116 5.834) 10.823 12.781 ( -0.574 -13.809 -7.129) 15.552 13.791 ( -0.038 1.332 0.582) 1.454 14.002 ( -0.439 -4.583 1.193) 4.756 14.292 ( 0.867 4.282 1.742) 4.703 14.328 ( 0.070 3.759 -0.209) 3.766 23.272 ( -2.543 -3.093 5.978) 7.195 23.487 ( -6.596 -7.369 7.242) 12.258 24.095 ( 2.468 -2.306 -1.816) 3.835 24.258 ( 7.184 -9.310 -1.518) 11.858 26.339 ( -0.994 19.406 0.493) 19.438 26.667 ( 0.336 8.693 -6.335) 10.761 28.631 ( -1.391 -2.316 -0.532) 2.754 28.677 ( 1.163 -3.726 0.433) 3.927 ======================= Grid point 271 (144/185) ======================= q-point: ( 0.11 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 1.500 8.229 3.571) 9.095 2.161 ( 16.593 4.034 12.178) 20.974 2.277 ( 3.404 0.918 1.247) 3.740 2.478 ( 9.530 1.032 -3.099) 10.074 2.840 ( -0.828 14.804 6.168) 16.059 3.179 ( 1.638 14.253 -6.882) 15.913 3.300 ( -5.564 4.496 5.779) 9.197 3.577 ( 0.130 0.046 4.122) 4.125 3.642 ( 4.723 -3.368 -0.074) 5.801 3.730 ( 1.542 2.317 2.929) 4.040 3.891 ( -0.590 5.382 0.700) 5.460 4.031 ( -2.941 14.600 3.942) 15.406 4.291 ( -1.032 -5.246 8.325) 9.894 4.673 ( -3.366 -7.375 4.011) 9.045 4.856 ( 4.201 -3.090 -14.979) 15.861 5.102 ( -1.101 -7.427 -8.996) 11.718 5.768 ( -4.822 0.677 -0.565) 4.902 5.855 ( -0.733 -1.829 -2.617) 3.276 6.003 ( 1.484 7.983 -0.983) 8.179 6.592 ( -1.558 -11.262 1.813) 11.513 7.252 ( 1.271 19.054 -0.380) 19.100 7.470 ( -0.281 3.571 0.834) 3.677 7.696 ( -0.745 10.251 -1.032) 10.330 7.911 ( -2.043 -5.095 3.194) 6.351 8.846 ( -4.424 5.118 7.170) 9.857 9.133 ( -2.081 -3.865 5.882) 7.339 10.250 ( 0.102 12.308 -1.768) 12.435 10.742 ( 4.261 -3.539 2.371) 6.025 11.151 ( -4.618 9.199 3.465) 10.860 11.540 ( 0.984 3.348 8.285) 8.990 11.635 ( -1.480 2.503 -4.075) 5.006 11.852 ( 2.804 1.394 -8.052) 8.639 12.009 ( 3.377 -8.628 5.099) 10.575 12.189 ( -0.611 -5.152 -11.580) 12.690 12.548 ( -0.475 -10.170 6.393) 12.022 12.713 ( -2.640 -12.989 -6.982) 14.981 13.793 ( 0.015 1.174 0.571) 1.305 13.999 ( -0.588 -4.357 1.227) 4.565 14.240 ( -5.839 4.306 0.865) 7.307 14.329 ( -0.953 1.430 -0.667) 1.843 23.256 ( -2.833 -2.188 6.612) 7.518 23.474 ( -0.323 -6.584 10.037) 12.008 24.148 ( 5.085 -1.214 -4.261) 6.745 24.383 ( 8.546 -9.817 -5.679) 14.201 26.294 ( -4.075 19.421 1.373) 19.891 26.609 ( -3.345 8.647 -5.074) 10.569 28.614 ( -0.464 -2.276 0.716) 2.430 28.692 ( 0.515 -4.420 -0.628) 4.494 ======================= Grid point 272 (145/185) ======================= q-point: ( 0.22 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 3.781 6.030 0.915) 7.176 2.261 ( -2.223 -2.263 2.072) 3.788 2.589 ( 15.878 5.373 10.620) 19.843 2.683 ( 14.727 2.574 -5.925) 16.082 2.931 ( 8.226 18.954 4.103) 21.066 3.163 ( 1.478 13.304 -4.893) 14.252 3.246 ( -3.645 7.215 6.048) 10.096 3.543 ( -3.764 -5.218 1.382) 6.581 3.717 ( 4.641 1.862 -3.116) 5.892 3.761 ( -3.805 6.254 4.792) 8.750 3.922 ( 4.704 -1.884 -1.002) 5.165 4.031 ( 1.561 13.519 5.474) 14.668 4.318 ( -2.197 -6.694 8.168) 10.787 4.635 ( -3.088 -5.162 5.960) 8.468 4.858 ( 5.166 -1.592 -15.473) 16.390 5.016 ( -2.547 -6.579 -9.801) 12.076 5.635 ( -8.726 1.339 -1.895) 9.029 5.789 ( -4.441 -3.168 -3.844) 6.673 6.038 ( 2.561 8.051 -0.292) 8.454 6.572 ( -1.838 -9.279 2.251) 9.723 7.274 ( 1.562 18.732 -1.059) 18.826 7.488 ( 1.168 3.880 2.833) 4.944 7.648 ( -2.914 9.654 -3.001) 10.521 7.897 ( -2.741 -2.100 5.290) 6.318 8.790 ( -5.347 5.162 5.986) 9.543 9.119 ( -2.651 -5.156 5.564) 8.035 10.243 ( 0.383 13.254 -1.082) 13.304 10.807 ( 1.366 -1.618 0.591) 2.198 11.105 ( -2.588 4.438 4.190) 6.630 11.460 ( -6.987 -1.406 -1.124) 7.215 11.708 ( 4.715 6.575 3.505) 8.817 11.871 ( 3.567 1.801 -6.990) 8.051 12.093 ( 1.485 -7.251 5.768) 9.383 12.156 ( 4.208 -6.903 -8.712) 11.885 12.570 ( -0.992 -10.804 5.197) 12.030 12.621 ( -3.046 -11.770 -5.380) 13.295 13.800 ( 0.353 1.119 0.787) 1.412 13.994 ( -0.766 -4.138 1.314) 4.409 14.119 ( -7.510 3.957 0.890) 8.535 14.279 ( -3.403 -1.473 -2.016) 4.221 23.250 ( -1.879 0.946 7.815) 8.093 23.559 ( 2.090 -7.446 13.254) 15.346 24.222 ( 6.275 -0.646 -8.128) 10.289 24.497 ( 8.246 -9.650 -9.467) 15.834 26.226 ( -3.878 19.051 2.142) 19.560 26.493 ( -6.537 9.963 -3.911) 12.542 28.618 ( 0.132 -2.835 1.352) 3.144 28.691 ( 0.088 -4.599 -1.114) 4.733 ======================= Grid point 273 (146/185) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 3.157 3.892 -0.360) 5.024 2.212 ( -3.794 1.039 2.328) 4.571 2.795 ( 3.334 8.540 5.104) 10.493 2.910 ( 11.679 3.233 -1.525) 12.213 3.037 ( 0.873 23.923 -4.086) 24.285 3.209 ( -0.025 1.600 2.662) 3.106 3.353 ( 14.590 12.829 7.000) 20.650 3.494 ( -1.931 -5.058 2.673) 6.038 3.668 ( -7.836 9.510 6.501) 13.932 3.786 ( 4.313 2.909 -1.814) 5.510 4.011 ( 6.203 -4.009 -7.948) 10.850 4.127 ( 4.934 8.114 2.814) 9.905 4.291 ( -4.226 -9.402 9.454) 13.987 4.615 ( -4.274 -4.241 5.695) 8.287 4.873 ( 5.148 -0.738 -14.901) 15.782 4.926 ( -0.488 -2.322 -10.043) 10.319 5.451 ( -9.524 1.585 -2.364) 9.940 5.668 ( -5.823 -4.590 -4.242) 8.543 6.089 ( 3.030 8.460 0.025) 8.986 6.551 ( -1.796 -6.517 2.538) 7.221 7.297 ( 1.668 18.155 -1.226) 18.272 7.540 ( 0.963 5.309 4.435) 6.985 7.571 ( -2.230 8.282 -3.291) 9.187 7.858 ( -4.525 1.257 4.930) 6.809 8.728 ( -4.466 5.064 4.886) 8.334 9.103 ( -2.348 -6.917 5.702) 9.266 10.257 ( 1.170 12.582 0.607) 12.650 10.802 ( -1.805 0.438 0.993) 2.106 11.082 ( -2.474 -0.706 1.537) 2.997 11.342 ( -4.756 -1.555 -0.865) 5.078 11.781 ( 1.861 4.856 1.263) 5.351 11.900 ( 3.176 2.542 -4.854) 6.333 12.127 ( 0.500 -6.956 3.347) 7.736 12.233 ( 5.938 -6.290 -3.675) 9.399 12.522 ( -2.071 -11.422 -3.194) 12.040 12.609 ( 0.468 -10.587 2.756) 10.950 13.818 ( 1.199 1.134 1.059) 1.961 13.966 ( -4.640 -1.606 0.637) 4.951 14.012 ( -3.070 1.305 2.216) 4.005 14.200 ( -3.294 -4.333 -3.364) 6.399 23.272 ( -0.998 4.153 9.561) 10.471 23.674 ( 1.567 -7.983 15.996) 17.946 24.270 ( 4.410 -0.751 -11.485) 12.325 24.569 ( 5.932 -9.536 -12.533) 16.828 26.193 ( -0.718 17.868 1.866) 17.979 26.346 ( -7.187 12.742 -2.556) 14.851 28.631 ( 0.457 -3.453 1.252) 3.701 28.684 ( -0.225 -4.614 -0.996) 4.726 ======================= Grid point 274 (147/185) ======================= q-point: (-0.56 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -1.814 4.264 0.132) 4.635 2.177 ( -0.783 1.973 2.502) 3.281 2.808 ( -3.294 10.296 1.819) 10.962 3.005 ( -1.148 26.935 -2.693) 27.094 3.065 ( 4.580 2.993 1.085) 5.578 3.233 ( 0.838 5.252 3.511) 6.373 3.467 ( -0.771 -4.901 5.143) 7.146 3.579 ( -5.211 6.645 6.953) 10.939 3.649 ( 7.822 10.390 7.275) 14.902 3.866 ( 4.508 0.045 1.932) 4.905 4.000 ( -1.312 -0.599 -9.978) 10.082 4.184 ( -1.101 4.656 -1.386) 4.981 4.349 ( 5.921 -9.711 5.105) 12.467 4.503 ( -10.343 -5.257 5.766) 12.957 4.868 ( 2.401 1.111 -11.070) 11.381 4.921 ( 5.855 0.238 -12.024) 13.376 5.302 ( -4.658 1.237 -2.059) 5.241 5.562 ( -2.666 -5.834 -4.165) 7.648 6.140 ( 2.258 9.041 -0.222) 9.322 6.539 ( -0.900 -4.202 2.649) 5.049 7.320 ( 1.117 18.842 -0.441) 18.881 7.467 ( -4.190 7.172 -1.924) 8.526 7.642 ( 4.832 6.199 4.026) 8.831 7.794 ( -4.671 2.750 3.345) 6.370 8.689 ( -2.417 4.778 4.225) 6.821 9.095 ( -2.151 -8.160 6.047) 10.382 10.285 ( 1.020 10.591 1.637) 10.766 10.766 ( -2.694 -0.751 0.904) 2.939 11.030 ( -3.712 -0.832 3.072) 4.889 11.285 ( -0.874 -1.610 -2.760) 3.313 11.801 ( 0.487 2.950 -0.764) 3.086 11.934 ( 2.368 1.750 -1.427) 3.272 12.135 ( -2.090 -4.299 3.783) 6.096 12.295 ( 3.390 -5.225 -4.939) 7.949 12.525 ( 3.742 -12.882 -0.745) 13.435 12.629 ( 0.888 -9.846 -0.696) 9.911 13.856 ( 2.304 0.706 1.163) 2.676 13.873 ( -4.810 1.009 1.115) 5.040 14.002 ( -0.480 -0.649 2.374) 2.507 14.136 ( -1.461 -6.268 -3.990) 7.572 23.312 ( -0.966 6.466 11.366) 13.112 23.777 ( -0.286 -7.907 17.460) 19.169 24.249 ( 0.389 -1.418 -12.438) 12.525 24.566 ( 1.511 -9.946 -14.318) 17.499 26.218 ( -1.430 15.613 1.961) 15.801 26.235 ( 0.716 16.555 -3.049) 16.848 28.641 ( -0.691 -3.455 1.422) 3.799 28.680 ( 0.900 -4.939 -1.278) 5.180 ======================= Grid point 275 (148/185) ======================= q-point: (-0.44 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -3.738 6.130 2.019) 7.458 2.174 ( -0.993 3.055 2.835) 4.284 2.719 ( -8.087 12.173 4.380) 15.257 2.969 ( -1.243 22.447 -1.576) 22.537 3.084 ( -3.382 1.979 2.357) 4.572 3.265 ( 0.915 7.610 0.142) 7.666 3.483 ( -1.942 -2.558 7.299) 7.974 3.545 ( -2.422 4.555 5.470) 7.519 3.713 ( -4.201 5.806 6.469) 9.655 3.911 ( -2.207 -1.240 1.238) 2.818 3.971 ( 4.218 4.423 -6.001) 8.565 4.027 ( -13.396 4.085 0.822) 14.029 4.371 ( -6.984 -3.435 6.599) 10.204 4.492 ( 6.805 -9.375 0.234) 11.587 4.850 ( 1.787 2.913 -10.136) 10.697 4.995 ( 8.754 -2.613 -11.129) 14.399 5.282 ( 3.660 0.910 -1.217) 3.963 5.539 ( 2.538 -5.932 -4.067) 7.627 6.157 ( -0.114 9.315 -1.146) 9.386 6.551 ( 0.763 -3.551 2.360) 4.332 7.308 ( -2.650 19.163 0.207) 19.347 7.428 ( 1.237 6.734 -0.691) 6.881 7.726 ( -3.142 6.735 1.059) 7.507 7.764 ( 5.005 3.093 4.334) 7.307 8.688 ( -0.235 4.543 4.161) 6.165 9.089 ( -2.168 -8.324 6.237) 10.625 10.300 ( -0.397 7.578 0.961) 7.649 10.711 ( -3.779 -3.771 1.009) 5.434 11.016 ( -0.686 2.517 7.432) 7.877 11.270 ( 1.411 -0.401 -4.635) 4.861 11.791 ( -1.195 0.675 -0.687) 1.535 11.966 ( 0.790 -1.843 1.907) 2.767 12.102 ( -1.816 3.026 -1.070) 3.688 12.322 ( 2.261 -7.039 -2.524) 7.812 12.617 ( 4.321 -14.318 0.185) 14.957 12.629 ( 2.372 -8.294 -6.107) 10.569 13.811 ( -2.855 1.002 1.998) 3.626 13.914 ( 3.305 0.193 0.545) 3.355 14.021 ( 1.439 -0.088 2.329) 2.739 14.104 ( 0.166 -5.693 -3.577) 6.725 23.348 ( -2.186 7.284 11.753) 13.999 23.849 ( -2.071 -8.072 17.694) 19.559 24.163 ( -2.716 -2.558 -9.800) 10.486 24.468 ( -3.555 -10.429 -14.514) 18.223 26.177 ( -0.677 18.227 0.559) 18.248 26.326 ( 7.828 14.877 -3.670) 17.207 28.622 ( -1.673 -2.886 1.231) 3.556 28.703 ( 1.857 -5.369 -1.245) 5.816 ======================= Grid point 276 (149/185) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -6.695 9.534 4.101) 12.350 2.182 ( -0.338 3.974 4.147) 5.754 2.555 ( -14.253 11.462 8.225) 20.055 2.933 ( -4.306 9.657 0.496) 10.585 3.000 ( -4.886 4.180 2.003) 6.735 3.223 ( -5.891 6.714 -2.319) 9.228 3.463 ( -2.998 4.000 7.155) 8.728 3.514 ( -4.405 4.438 0.351) 6.263 3.675 ( -1.627 1.723 5.357) 5.858 3.723 ( -12.835 5.320 2.484) 14.114 3.942 ( -3.391 1.477 10.498) 11.130 4.005 ( 3.443 6.668 -7.425) 10.557 4.334 ( -1.320 -3.450 6.702) 7.653 4.583 ( 3.467 -9.835 0.055) 10.428 4.819 ( 1.275 3.681 -10.701) 11.388 5.084 ( 6.931 -5.270 -10.564) 13.690 5.407 ( 9.533 0.285 -0.236) 9.540 5.601 ( 5.872 -4.886 -2.945) 8.187 6.127 ( -1.919 9.157 -1.973) 9.562 6.585 ( 1.485 -4.960 1.493) 5.388 7.258 ( -2.444 17.798 0.323) 17.968 7.474 ( 3.120 7.679 0.887) 8.336 7.668 ( -3.160 4.766 -0.468) 5.738 7.883 ( 5.090 4.893 3.575) 7.914 8.723 ( 1.395 4.479 4.793) 6.707 9.084 ( -1.981 -7.414 6.258) 9.902 10.275 ( -2.315 5.299 -0.759) 5.832 10.657 ( -3.233 -5.643 3.698) 7.481 11.074 ( 1.464 5.340 9.613) 11.094 11.290 ( 3.753 1.796 -5.246) 6.696 11.752 ( -3.667 -2.462 3.524) 5.651 11.975 ( -0.842 -5.196 0.957) 5.350 12.066 ( 0.030 8.726 -6.944) 11.152 12.358 ( 2.430 -7.126 0.468) 7.544 12.587 ( -0.764 -8.974 -8.491) 12.378 12.723 ( 5.790 -13.604 -2.928) 15.072 13.787 ( -1.195 1.371 2.180) 2.839 13.974 ( 2.684 -2.062 0.742) 3.465 14.063 ( 1.670 -0.095 -0.093) 1.675 14.125 ( 4.306 -0.722 -0.382) 4.383 23.351 ( -3.883 6.140 9.658) 12.085 23.889 ( -4.808 -10.741 18.051) 21.548 24.066 ( -2.529 -2.739 -6.156) 7.197 24.300 ( -6.051 -9.593 -12.619) 16.967 26.198 ( 2.464 19.594 0.561) 19.756 26.459 ( 9.416 13.379 -6.119) 17.467 28.605 ( -0.758 -2.311 1.395) 2.804 28.721 ( 0.786 -5.292 -1.560) 5.573 ======================= Grid point 277 (150/185) ======================= q-point: (-0.22 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -8.119 12.121 7.045) 16.201 2.185 ( -4.910 4.833 5.517) 8.826 2.309 ( -14.362 8.591 10.522) 19.769 2.761 ( -13.869 -3.665 0.430) 14.351 2.970 ( -2.437 3.704 3.119) 5.421 3.092 ( -3.915 13.599 -0.841) 14.176 3.408 ( -4.543 7.801 0.078) 9.028 3.478 ( 0.853 4.205 2.854) 5.153 3.577 ( -7.284 2.063 6.638) 10.068 3.705 ( 0.231 3.104 6.021) 6.778 3.951 ( -0.259 4.937 5.403) 7.324 4.017 ( 0.862 7.211 -3.086) 7.891 4.351 ( -1.543 -3.674 5.338) 6.661 4.634 ( 1.851 -8.697 2.116) 9.140 4.803 ( 4.155 0.761 -12.373) 13.074 5.133 ( 4.887 -6.667 -10.242) 13.162 5.585 ( 9.333 -0.387 0.318) 9.346 5.701 ( 5.781 -3.071 -0.774) 6.592 6.078 ( -2.035 8.766 -2.346) 9.300 6.612 ( 0.737 -7.590 0.789) 7.666 7.228 ( -1.139 18.176 0.532) 18.220 7.540 ( 3.316 6.272 1.290) 7.211 7.606 ( -3.103 5.363 -1.237) 6.319 7.972 ( 2.527 3.028 2.324) 4.578 8.783 ( 1.754 4.512 5.966) 7.683 9.087 ( -1.307 -5.667 6.398) 8.646 10.225 ( -1.917 5.390 -1.286) 5.863 10.636 ( -2.061 -6.358 5.677) 8.769 11.156 ( 1.362 6.982 10.744) 12.886 11.339 ( 4.425 4.956 -6.113) 9.029 11.712 ( -3.954 -5.632 8.664) 11.065 11.946 ( -1.476 -4.685 -3.288) 5.911 12.021 ( -0.100 8.189 -9.700) 12.695 12.412 ( 2.523 -5.843 2.096) 6.701 12.510 ( -1.943 -8.699 -10.296) 13.618 12.790 ( 3.866 -14.137 -4.991) 15.482 13.784 ( -0.346 1.506 1.634) 2.249 14.003 ( 0.081 -5.389 0.764) 5.443 14.116 ( 4.664 4.578 0.399) 6.547 14.224 ( 5.461 1.824 0.887) 5.826 23.320 ( -4.134 3.035 7.046) 8.714 23.814 ( -12.275 -13.029 11.158) 21.093 24.050 ( 3.018 -3.568 -1.854) 5.028 24.155 ( -3.793 -7.002 -4.929) 9.366 26.260 ( 3.695 19.940 0.295) 20.282 26.586 ( 8.139 11.510 -7.391) 15.917 28.613 ( 0.696 -2.222 1.517) 2.779 28.710 ( -0.967 -4.392 -1.781) 4.837 ======================= Grid point 278 (151/185) ======================= q-point: (-0.11 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -7.063 11.524 11.318) 17.629 2.020 ( -10.563 10.418 10.855) 18.383 2.279 ( 0.259 1.955 6.583) 6.872 2.490 ( -12.794 -3.856 -3.749) 13.879 2.921 ( -5.091 5.503 6.496) 9.920 3.100 ( 4.133 12.491 -3.418) 13.594 3.385 ( 0.470 5.819 3.528) 6.821 3.481 ( -6.460 8.210 9.856) 14.362 3.522 ( 1.211 -1.739 1.035) 2.359 3.732 ( -0.102 1.530 2.730) 3.131 3.964 ( 0.690 6.975 -6.721) 9.711 4.018 ( -1.638 8.600 9.628) 13.013 4.329 ( -3.318 -3.262 4.261) 6.309 4.675 ( 1.575 -7.232 1.045) 7.475 4.832 ( 5.692 -3.711 -12.193) 13.959 5.155 ( 3.334 -7.304 -9.421) 12.378 5.733 ( 6.335 -0.315 0.940) 6.412 5.788 ( 3.692 -1.275 0.311) 3.918 6.033 ( -1.428 8.256 -2.406) 8.717 6.619 ( -0.443 -10.180 0.798) 10.221 7.222 ( 0.047 18.718 0.567) 18.727 7.538 ( -2.685 3.806 -2.013) 5.074 7.614 ( 3.181 7.223 2.250) 8.207 7.992 ( -1.193 -0.209 0.686) 1.392 8.840 ( 0.395 4.715 7.185) 8.603 9.106 ( -0.663 -3.985 6.606) 7.743 10.211 ( 1.102 7.242 -0.771) 7.366 10.638 ( -1.102 -5.781 5.588) 8.115 11.229 ( -0.101 9.016 9.319) 12.967 11.368 ( 2.156 6.897 -3.491) 8.025 11.712 ( -1.693 -6.283 9.417) 11.447 11.896 ( -0.960 -3.562 -5.667) 6.762 11.964 ( -0.069 4.545 -9.711) 10.722 12.396 ( -2.297 -5.446 -12.422) 13.757 12.478 ( 1.099 -8.633 4.662) 9.873 12.808 ( 1.639 -14.195 -6.528) 15.710 13.788 ( -0.074 1.458 0.911) 1.721 14.003 ( -0.400 -4.998 1.078) 5.128 14.217 ( 5.163 5.439 1.455) 7.639 14.307 ( 2.776 3.126 0.652) 4.231 23.289 ( -3.032 -0.665 5.933) 6.696 23.626 ( -12.043 -10.467 6.357) 17.176 24.081 ( 0.805 -3.531 -3.277) 4.885 24.149 ( 3.917 -7.880 2.699) 9.204 26.321 ( 2.520 19.665 0.157) 19.826 26.662 ( 4.421 9.677 -7.354) 12.933 28.641 ( 1.353 -2.824 0.914) 3.262 28.674 ( -1.761 -3.088 -1.153) 3.737 ======================= Grid point 279 (152/185) ======================= q-point: ( 0.00 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 1.712 8.177 6.542) 10.610 2.149 ( -2.830 -0.822 1.003) 3.113 2.218 ( 1.785 5.106 6.682) 8.597 2.352 ( 1.538 -4.582 2.692) 5.532 3.048 ( -0.297 9.896 8.432) 13.004 3.224 ( 3.319 -6.645 5.060) 8.987 3.413 ( -2.819 4.486 0.517) 5.324 3.515 ( -0.945 -4.847 1.493) 5.159 3.630 ( 1.821 8.871 -7.297) 11.630 3.752 ( 0.094 -0.940 -2.925) 3.074 4.012 ( -3.673 3.718 7.587) 9.213 4.105 ( -4.378 -4.462 17.877) 18.939 4.335 ( -0.091 8.834 0.498) 8.849 4.519 ( -0.622 -9.849 4.089) 10.682 4.881 ( 4.286 5.405 -15.460) 16.929 5.009 ( 2.516 -7.255 -12.691) 14.833 5.813 ( 1.257 0.645 0.474) 1.491 5.828 ( 2.022 -0.827 -0.260) 2.200 6.179 ( -0.993 10.301 -0.365) 10.355 6.388 ( -1.283 -11.379 0.498) 11.462 7.494 ( 1.427 7.469 0.591) 7.627 7.555 ( -0.357 1.159 -1.404) 1.855 7.800 ( 0.438 6.157 2.533) 6.672 7.898 ( -3.390 -3.012 -1.331) 4.726 8.967 ( -1.924 5.230 7.567) 9.398 9.058 ( -1.393 -4.148 6.874) 8.148 10.414 ( 3.210 8.299 1.552) 9.032 10.557 ( 2.841 -6.637 3.472) 8.011 11.431 ( -4.244 10.899 3.023) 12.080 11.552 ( 1.308 6.144 7.981) 10.157 11.618 ( -0.394 -6.407 2.874) 7.033 11.718 ( 2.008 -9.420 2.276) 9.897 12.011 ( -0.572 6.610 -11.660) 13.416 12.153 ( -1.271 -7.848 -12.207) 14.568 12.447 ( -0.320 1.705 -0.216) 1.748 12.556 ( -0.401 -9.175 -5.093) 10.502 13.834 ( -0.146 3.217 0.446) 3.251 13.910 ( -0.227 -4.586 0.644) 4.637 14.357 ( 0.113 2.211 1.268) 2.551 14.371 ( -0.257 0.746 0.674) 1.038 23.269 ( -3.409 2.543 5.872) 7.250 23.356 ( -4.619 -6.070 6.497) 10.020 24.078 ( 3.876 0.681 -1.318) 4.150 24.126 ( 5.740 -4.561 -1.622) 7.508 26.633 ( -0.788 10.926 -1.189) 11.019 26.745 ( -0.453 -0.780 -3.815) 3.920 28.602 ( -0.731 -0.473 -0.248) 0.905 28.618 ( 0.179 -2.139 0.098) 2.149 ======================= Grid point 280 (153/185) ======================= q-point: ( 0.11 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 1.600 3.793 3.165) 5.193 2.163 ( 2.867 -1.938 3.077) 4.630 2.380 ( 12.755 6.617 5.125) 15.255 2.469 ( 10.986 -2.401 -0.531) 11.257 3.118 ( 3.589 13.766 7.981) 16.312 3.324 ( 3.396 -5.595 6.060) 8.920 3.348 ( -2.794 5.700 -2.288) 6.747 3.478 ( -3.056 -7.677 -1.959) 8.492 3.636 ( 2.447 5.978 -4.638) 7.952 3.763 ( 3.346 -3.507 -5.648) 7.443 3.994 ( -4.297 7.180 12.426) 14.980 4.139 ( -2.216 -6.290 15.335) 16.722 4.320 ( -2.020 10.900 1.832) 11.236 4.515 ( -2.176 -9.104 4.872) 10.552 4.870 ( 3.913 3.770 -15.695) 16.609 4.970 ( 0.987 -6.283 -13.000) 14.473 5.789 ( -3.659 1.482 -1.164) 4.116 5.821 ( -2.247 -1.752 -1.956) 3.456 6.177 ( 0.646 9.987 0.690) 10.032 6.378 ( -0.324 -10.962 1.457) 11.063 7.523 ( 1.467 7.078 -0.540) 7.249 7.539 ( -0.255 3.133 -0.611) 3.202 7.828 ( -0.803 2.903 -0.176) 3.017 7.842 ( -0.863 -1.138 3.427) 3.713 8.949 ( -4.250 5.488 6.919) 9.800 9.050 ( -3.324 -4.908 6.288) 8.642 10.468 ( 2.404 10.317 -0.942) 10.635 10.637 ( 4.172 -7.205 0.916) 8.376 11.341 ( -6.477 9.961 2.964) 12.246 11.507 ( -7.030 -6.472 2.746) 9.942 11.703 ( 5.564 5.208 5.937) 9.661 11.823 ( 5.022 -6.695 6.935) 10.869 11.954 ( 1.035 4.947 -10.819) 11.941 12.076 ( 0.080 -6.670 -12.175) 13.882 12.435 ( -1.183 -0.851 1.493) 2.086 12.508 ( -1.980 -7.851 -4.382) 9.207 13.834 ( -0.159 3.073 0.515) 3.120 13.908 ( -0.344 -4.586 0.651) 4.644 14.309 ( -5.367 2.750 0.917) 6.100 14.340 ( -3.737 -0.447 0.528) 3.801 23.265 ( -0.995 2.871 7.047) 7.674 23.352 ( -0.386 -5.869 8.285) 10.160 24.156 ( 6.294 2.121 -4.454) 7.997 24.232 ( 7.756 -5.898 -5.233) 11.060 26.586 ( -3.733 10.678 -0.108) 11.313 26.692 ( -3.443 -0.400 -2.518) 4.284 28.591 ( -0.486 0.035 0.370) 0.612 28.619 ( -0.051 -2.860 -0.094) 2.862 ======================= Grid point 281 (154/185) ======================= q-point: ( 0.22 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 1.630 3.513 2.156) 4.433 2.209 ( 0.000 -2.805 3.599) 4.563 2.681 ( 15.491 3.665 3.424) 16.283 2.715 ( 15.394 0.243 -1.911) 15.514 3.249 ( 2.085 10.277 0.038) 10.486 3.300 ( 4.144 9.836 7.481) 13.034 3.394 ( -3.231 -6.063 1.028) 6.947 3.444 ( 5.291 2.108 -2.547) 6.239 3.679 ( 4.560 -0.285 -1.386) 4.774 3.792 ( 3.211 -7.772 -5.866) 10.253 3.970 ( -5.860 9.957 10.715) 15.758 4.156 ( -4.372 -8.583 10.496) 14.246 4.299 ( -1.313 12.178 3.148) 12.646 4.507 ( -1.647 -8.866 5.206) 10.413 4.864 ( 4.728 1.977 -14.632) 15.503 4.919 ( 1.534 -3.701 -12.706) 13.323 5.675 ( -7.535 2.633 -2.732) 8.436 5.730 ( -6.009 -3.041 -3.365) 7.528 6.205 ( 1.684 9.344 1.662) 9.639 6.389 ( 0.273 -9.731 2.395) 10.025 7.522 ( 0.292 6.099 -2.043) 6.438 7.563 ( 1.695 2.237 0.861) 2.936 7.786 ( -2.434 6.266 0.393) 6.734 7.872 ( -0.230 -1.717 4.748) 5.054 8.895 ( -5.185 5.799 5.711) 9.650 9.010 ( -4.274 -6.092 5.430) 9.212 10.494 ( 1.611 12.473 -2.514) 12.825 10.700 ( 2.781 -8.681 -1.825) 9.297 11.240 ( -6.845 8.244 4.971) 11.812 11.385 ( -7.865 -6.216 3.414) 10.590 11.825 ( 3.679 5.912 5.130) 8.649 11.932 ( 2.448 3.088 -9.380) 10.175 11.954 ( 5.006 -5.829 6.327) 9.953 12.034 ( 2.883 -5.666 -11.138) 12.824 12.424 ( -1.365 -3.504 1.706) 4.130 12.448 ( -1.866 -5.667 -2.325) 6.403 13.837 ( 0.185 2.815 0.671) 2.900 13.907 ( -0.190 -4.393 0.599) 4.438 14.192 ( -7.639 3.472 0.812) 8.431 14.247 ( -6.396 -2.216 0.081) 6.770 23.306 ( 0.606 4.653 8.992) 10.143 23.419 ( 1.714 -6.905 10.916) 13.030 24.245 ( 6.962 3.087 -8.525) 11.431 24.339 ( 7.941 -6.674 -9.234) 13.887 26.510 ( -4.407 10.132 0.950) 11.090 26.601 ( -5.205 0.714 -1.237) 5.397 28.587 ( -0.234 -0.120 0.643) 0.695 28.616 ( -0.196 -2.991 -0.143) 3.001 ======================= Grid point 282 (155/185) ======================= q-point: ( 0.33 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.817 2.004 2.004) 2.950 2.212 ( -1.364 -0.766 3.090) 3.464 2.920 ( 7.291 4.289 4.805) 9.729 2.951 ( 11.195 0.898 -1.692) 11.358 3.239 ( 0.514 3.221 0.759) 3.349 3.346 ( -1.802 -7.234 1.708) 7.648 3.459 ( 3.625 18.327 -1.911) 18.779 3.587 ( 12.061 7.293 4.710) 14.861 3.744 ( 0.660 -1.355 -1.698) 2.271 3.849 ( 2.097 -9.426 3.519) 10.278 3.916 ( 0.406 8.374 1.150) 8.462 4.104 ( -5.115 -9.794 7.786) 13.517 4.301 ( -0.200 9.710 0.816) 9.746 4.485 ( -3.813 -8.924 2.131) 9.936 4.883 ( 5.073 1.438 -12.625) 13.682 4.905 ( 3.841 -0.744 -10.827) 11.512 5.504 ( -8.729 3.672 -3.387) 10.057 5.582 ( -7.406 -4.361 -3.933) 9.452 6.252 ( 2.180 8.536 2.327) 9.112 6.411 ( 0.490 -7.969 3.060) 8.550 7.523 ( 0.827 6.130 -1.383) 6.338 7.597 ( 1.544 -1.540 -0.083) 2.182 7.746 ( -2.419 11.082 2.336) 11.581 7.875 ( -2.003 -1.588 3.949) 4.704 8.833 ( -4.425 6.072 4.713) 8.869 8.963 ( -3.753 -7.390 4.904) 9.631 10.503 ( 0.825 12.601 -2.376) 12.850 10.714 ( 0.153 -8.746 -3.115) 9.285 11.151 ( -5.947 6.450 5.361) 10.282 11.275 ( -6.072 -5.521 4.168) 9.204 11.868 ( -0.122 4.193 0.078) 4.196 11.924 ( 0.198 -1.047 -4.309) 4.439 12.042 ( 4.823 -0.564 -2.048) 5.270 12.110 ( 7.244 -6.291 -0.493) 9.607 12.383 ( -1.852 -1.543 -1.739) 2.972 12.444 ( 0.731 -6.564 0.579) 6.630 13.849 ( 0.849 2.304 0.633) 2.535 13.907 ( -0.210 -3.516 0.116) 3.525 14.062 ( -6.543 3.260 1.202) 7.408 14.128 ( -6.170 -3.485 -0.255) 7.091 23.376 ( 0.917 6.649 11.464) 13.285 23.519 ( 1.640 -8.014 13.782) 16.027 24.300 ( 4.721 3.687 -12.127) 13.526 24.406 ( 5.524 -7.257 -12.641) 15.588 26.451 ( -2.431 8.563 1.335) 9.002 26.504 ( -4.545 3.086 -0.321) 5.503 28.589 ( 0.049 -0.624 0.534) 0.822 28.611 ( -0.326 -2.788 -0.095) 2.808 ======================= Grid point 283 (156/185) ======================= q-point: (-0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -0.976 1.220 1.951) 2.499 2.202 ( -0.689 0.663 2.662) 2.828 2.986 ( -1.726 7.796 3.793) 8.839 3.081 ( 2.265 -1.762 1.623) 3.297 3.272 ( 0.631 3.658 2.521) 4.487 3.354 ( 1.510 -5.257 1.469) 5.664 3.486 ( 1.937 18.401 -0.456) 18.508 3.693 ( -4.834 2.243 1.812) 5.629 3.776 ( 2.218 -0.804 6.629) 7.036 3.828 ( -3.880 -2.516 6.993) 8.384 4.005 ( 6.822 4.571 -5.750) 10.025 4.160 ( 7.242 -9.506 2.699) 12.252 4.279 ( -2.792 5.210 -0.959) 5.988 4.390 ( -6.835 -6.253 1.102) 9.329 4.899 ( 3.595 1.796 -10.980) 11.692 4.922 ( 4.233 -0.422 -11.032) 11.824 5.359 ( -4.364 4.305 -2.965) 6.809 5.454 ( -3.606 -5.425 -3.655) 7.470 6.301 ( 1.574 7.820 2.277) 8.295 6.437 ( 0.423 -6.324 3.151) 7.078 7.533 ( 0.551 5.267 -0.512) 5.321 7.594 ( -1.776 0.372 -0.548) 1.896 7.748 ( 1.119 9.247 3.445) 9.931 7.853 ( -1.602 0.104 2.299) 2.804 8.793 ( -2.544 6.230 4.277) 7.973 8.933 ( -2.479 -8.277 4.896) 9.931 10.492 ( -1.148 10.575 -1.169) 10.701 10.673 ( -2.959 -7.954 -2.165) 8.758 11.097 ( -2.720 6.544 5.644) 9.059 11.223 ( -1.663 -5.345 2.753) 6.238 11.846 ( -1.497 1.786 -1.788) 2.937 11.892 ( -2.140 -3.657 -0.236) 4.243 12.129 ( 5.330 3.079 -0.498) 6.176 12.237 ( 6.639 -5.389 -0.520) 8.567 12.351 ( -0.485 0.134 -2.255) 2.310 12.461 ( 1.610 -7.980 -2.957) 8.661 13.869 ( 0.267 1.130 0.250) 1.188 13.889 ( -1.139 -0.256 -0.596) 1.311 13.996 ( -1.320 0.707 1.768) 2.317 14.039 ( -3.028 -3.703 0.005) 4.783 23.453 ( -0.201 8.118 13.756) 15.974 23.616 ( -0.068 -8.690 16.119) 18.312 24.276 ( 0.397 4.016 -13.827) 14.404 24.393 ( 0.935 -7.883 -14.449) 16.486 26.440 ( -0.721 6.739 1.238) 6.890 26.452 ( 0.555 5.594 -0.856) 5.686 28.593 ( -0.122 -1.122 0.532) 1.247 28.606 ( 0.193 -2.478 -0.323) 2.506 ======================= Grid point 284 (157/185) ======================= q-point: (-0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -1.368 2.617 2.597) 3.933 2.208 ( -0.303 0.472 2.651) 2.710 2.919 ( -8.155 8.771 4.958) 12.962 3.049 ( -6.761 -4.600 3.476) 8.886 3.250 ( -4.335 8.509 1.853) 9.728 3.379 ( -0.966 -4.737 0.569) 4.868 3.537 ( 2.622 13.955 1.020) 14.236 3.628 ( -3.811 3.036 5.458) 7.316 3.746 ( -5.756 -0.754 5.006) 7.666 3.835 ( 0.548 -7.548 1.982) 7.823 4.080 ( 2.184 6.192 -2.348) 6.973 4.109 ( -11.415 3.581 3.205) 12.385 4.295 ( -3.838 -3.607 1.747) 5.549 4.326 ( 6.037 -6.929 -0.871) 9.231 4.907 ( 3.779 2.810 -10.553) 11.556 4.953 ( 5.764 -2.046 -10.634) 12.268 5.334 ( 3.205 4.149 -2.217) 5.693 5.429 ( 2.829 -5.513 -3.206) 6.977 6.323 ( -0.397 7.939 1.308) 8.056 6.458 ( 0.109 -6.082 2.432) 6.551 7.517 ( -2.281 4.999 0.075) 5.496 7.565 ( -0.807 2.220 0.531) 2.421 7.791 ( 1.024 6.803 2.126) 7.201 7.870 ( 2.713 1.237 1.521) 3.348 8.789 ( -0.462 6.139 4.322) 7.522 8.927 ( -1.178 -8.174 5.097) 9.705 10.449 ( -3.224 7.812 0.355) 8.459 10.595 ( -4.680 -7.340 0.468) 8.717 11.119 ( 1.408 7.144 6.087) 9.490 11.238 ( 1.906 -4.038 1.247) 4.637 11.795 ( -3.386 0.676 -0.426) 3.479 11.856 ( -1.920 -5.728 1.168) 6.153 12.225 ( 5.147 5.742 0.106) 7.712 12.300 ( 1.253 5.934 -6.791) 9.105 12.375 ( 4.123 -10.222 1.526) 11.127 12.464 ( 1.919 -8.955 -7.553) 11.871 13.842 ( -1.693 2.377 0.704) 3.001 13.894 ( 0.613 -2.448 -0.507) 2.574 14.017 ( 2.384 -0.028 0.943) 2.564 14.031 ( 2.094 -1.810 0.565) 2.825 23.505 ( -2.750 8.904 14.464) 17.206 23.681 ( -2.848 -9.239 17.145) 19.683 24.177 ( -2.971 3.595 -12.510) 13.351 24.290 ( -3.428 -7.941 -13.970) 16.431 26.447 ( 1.871 9.225 -0.153) 9.414 26.506 ( 5.106 3.346 -1.935) 6.404 28.588 ( -0.430 -0.292 0.378) 0.643 28.617 ( 0.980 -3.242 -0.425) 3.413 ======================= Grid point 285 (158/185) ======================= q-point: (-0.33 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -2.427 5.289 3.211) 6.646 2.221 ( -0.133 0.002 3.477) 3.479 2.739 ( -15.227 8.404 6.494) 18.565 2.888 ( -13.065 -6.917 4.153) 15.355 3.152 ( -6.959 8.858 2.723) 11.589 3.302 ( -7.168 -4.699 1.376) 8.681 3.556 ( -2.231 6.527 2.252) 7.256 3.604 ( -2.884 1.581 4.344) 5.449 3.671 ( -2.343 5.402 -3.235) 6.719 3.816 ( -2.104 -2.564 -2.292) 4.031 3.982 ( -5.335 5.380 14.010) 15.927 4.090 ( -1.321 -1.202 6.450) 6.693 4.277 ( 1.124 1.366 -1.133) 2.101 4.400 ( 3.432 -8.840 -2.246) 9.745 4.908 ( 2.481 4.945 -10.964) 12.280 4.996 ( 4.823 -4.299 -10.773) 12.562 5.439 ( 8.456 2.890 -0.891) 8.981 5.511 ( 7.118 -4.419 -1.687) 8.546 6.303 ( -2.035 9.003 0.081) 9.231 6.463 ( -0.607 -7.578 1.117) 7.683 7.479 ( -1.722 6.584 0.387) 6.817 7.558 ( -0.517 -1.178 0.838) 1.536 7.811 ( 0.542 10.646 0.726) 10.685 7.940 ( 3.270 -1.247 1.393) 3.767 8.821 ( 1.187 5.765 4.867) 7.638 8.944 ( -0.023 -7.036 5.457) 8.905 10.388 ( -3.697 6.605 1.516) 7.720 10.525 ( -3.949 -7.436 3.409) 9.084 11.198 ( 2.866 6.979 7.339) 10.525 11.300 ( 4.132 -2.385 1.451) 4.987 11.726 ( -4.548 1.631 2.054) 5.250 11.832 ( -1.104 -8.128 -0.664) 8.230 12.253 ( -0.060 9.229 -10.267) 13.805 12.319 ( 3.665 3.609 1.690) 5.414 12.414 ( 0.795 -8.299 -7.909) 11.491 12.488 ( 4.925 -10.908 -3.853) 12.573 13.828 ( -0.537 3.014 1.196) 3.287 13.900 ( 0.281 -4.350 0.146) 4.362 14.085 ( 4.892 1.634 0.225) 5.162 14.112 ( 5.780 -1.031 0.942) 5.946 23.497 ( -6.113 8.939 11.859) 16.059 23.684 ( -6.832 -10.424 15.246) 19.691 24.063 ( -2.666 2.198 -7.791) 8.522 24.146 ( -4.291 -6.351 -10.157) 12.724 26.500 ( 4.077 11.165 -1.177) 11.944 26.600 ( 6.644 1.045 -3.715) 7.684 28.586 ( 0.081 0.628 0.352) 0.724 28.631 ( 0.733 -3.822 -0.642) 3.944 ======================= Grid point 286 (159/185) ======================= q-point: (-0.22 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -4.455 9.018 3.675) 10.709 2.233 ( -0.980 -1.219 3.734) 4.049 2.457 ( -18.564 8.376 7.927) 21.854 2.633 ( -16.455 -8.998 3.795) 19.135 3.060 ( -5.103 6.887 5.578) 10.227 3.190 ( -5.450 -4.228 3.869) 7.909 3.493 ( -4.610 3.691 2.717) 6.501 3.555 ( -4.039 -2.570 4.235) 6.392 3.650 ( 2.268 11.584 -7.936) 14.224 3.789 ( -0.668 0.334 0.537) 0.920 4.009 ( -1.016 3.509 11.669) 12.227 4.104 ( -2.633 -2.069 10.336) 10.865 4.300 ( 1.683 2.878 -1.140) 3.524 4.444 ( 2.488 -9.693 -0.066) 10.008 4.889 ( 2.843 6.389 -12.699) 14.497 5.013 ( 3.994 -6.281 -11.915) 14.049 5.599 ( 8.655 1.697 0.433) 8.830 5.644 ( 7.381 -2.820 0.194) 7.904 6.259 ( -2.431 9.952 -0.747) 10.272 6.447 ( -1.439 -9.495 0.071) 9.604 7.463 ( -0.345 7.236 0.527) 7.264 7.556 ( 0.024 -2.893 0.461) 2.930 7.814 ( -0.665 12.933 0.311) 12.954 7.982 ( 0.501 -3.612 0.274) 3.657 8.879 ( 1.747 5.360 5.961) 8.204 8.983 ( 0.727 -5.431 6.165) 8.249 10.345 ( -1.901 7.183 2.493) 7.837 10.493 ( -2.054 -7.999 5.171) 9.744 11.294 ( 2.683 7.197 9.584) 12.282 11.399 ( 5.456 -1.684 2.311) 6.160 11.655 ( -4.934 2.913 3.541) 6.735 11.801 ( -1.291 -9.584 -3.021) 10.131 12.181 ( -1.192 8.376 -11.390) 14.189 12.335 ( -1.360 -7.221 -7.800) 10.716 12.407 ( 3.422 2.996 -3.777) 5.912 12.549 ( 3.565 -10.577 -3.752) 11.776 13.830 ( -0.077 3.217 0.995) 3.368 13.905 ( 0.098 -4.638 0.547) 4.671 14.192 ( 6.266 3.153 0.656) 7.045 14.232 ( 6.408 -0.956 1.029) 6.560 23.419 ( -7.678 7.242 7.660) 13.042 23.590 ( -10.333 -10.418 9.341) 17.394 24.017 ( 0.415 0.085 -2.071) 2.114 24.053 ( -1.811 -3.682 -3.199) 5.203 26.570 ( 4.269 11.888 -1.809) 12.760 26.693 ( 5.694 -0.511 -4.737) 7.424 28.595 ( 0.554 0.547 0.323) 0.843 28.633 ( -0.038 -3.322 -0.811) 3.419 ======================= Grid point 287 (160/185) ======================= q-point: (-0.11 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -6.303 11.358 5.109) 13.958 2.209 ( -4.664 3.236 4.115) 7.011 2.242 ( -7.791 0.514 7.050) 10.520 2.396 ( -9.649 -6.880 3.601) 12.386 3.030 ( -2.525 6.871 7.945) 10.803 3.164 ( -0.242 -5.116 5.237) 7.325 3.446 ( -2.168 3.679 1.998) 4.715 3.522 ( -2.083 -3.050 4.073) 5.498 3.643 ( 1.739 10.959 -8.483) 13.967 3.775 ( -0.962 -0.199 -0.845) 1.295 4.032 ( -2.051 2.326 6.047) 6.796 4.103 ( -5.093 -2.533 16.183) 17.154 4.321 ( 1.279 5.911 -0.610) 6.078 4.491 ( 1.537 -10.181 2.832) 10.679 4.882 ( 4.310 6.388 -14.443) 16.370 5.018 ( 3.795 -7.264 -12.525) 14.968 5.739 ( 6.053 0.888 1.057) 6.208 5.762 ( 5.032 -1.352 0.750) 5.264 6.212 ( -2.100 10.273 -0.921) 10.526 6.416 ( -1.815 -10.843 -0.110) 10.994 7.470 ( 0.759 7.549 0.597) 7.611 7.561 ( 0.245 -2.209 -0.411) 2.260 7.798 ( -1.046 11.532 0.946) 11.618 7.960 ( -2.412 -4.459 -1.005) 5.168 8.938 ( 0.589 5.177 7.132) 8.832 9.029 ( 0.288 -4.285 6.836) 8.073 10.355 ( 1.412 7.819 2.801) 8.425 10.505 ( 0.290 -7.673 5.144) 9.242 11.396 ( 2.166 8.213 11.312) 14.145 11.506 ( 4.884 3.225 -1.451) 6.030 11.593 ( -4.466 -1.204 8.897) 10.028 11.750 ( -2.004 -10.096 -4.598) 11.274 12.094 ( -1.404 7.618 -11.760) 14.082 12.248 ( -1.891 -8.479 -11.646) 14.529 12.442 ( 1.519 3.433 -1.476) 4.034 12.573 ( 1.573 -9.945 -4.850) 11.176 13.833 ( -0.032 3.259 0.611) 3.316 13.909 ( -0.039 -4.575 0.653) 4.622 14.301 ( 4.735 3.221 1.105) 5.833 14.335 ( 3.843 -0.226 0.981) 3.973 23.325 ( -6.143 4.408 5.754) 9.501 23.448 ( -8.986 -8.099 6.232) 13.608 24.035 ( 1.484 -1.022 -0.898) 2.013 24.050 ( 2.657 -2.736 0.730) 3.883 26.624 ( 2.481 11.540 -1.810) 11.942 26.746 ( 2.909 -0.998 -4.709) 5.624 28.607 ( 0.503 -0.539 0.111) 0.745 28.622 ( -0.652 -2.017 -0.587) 2.200 ======================= Grid point 324 (161/185) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 0.000 0.000) 0.000 1.877 ( -0.000 0.000 0.000) 0.000 1.982 ( -0.000 0.000 -0.000) 0.000 2.050 ( -0.000 0.000 0.000) 0.000 2.594 ( -0.000 0.000 0.000) 0.000 2.768 ( -0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 -0.000) 0.000 3.050 ( -0.000 0.000 0.000) 0.000 3.349 ( -0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 -0.000) 0.000 4.741 ( -0.000 0.000 0.000) 0.000 5.207 ( -0.000 0.000 0.000) 0.000 5.548 ( -0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 5.870 ( -0.000 0.000 0.000) 0.000 6.422 ( -0.000 0.000 0.000) 0.000 7.156 ( -0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.397 ( -0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 9.424 ( -0.000 0.000 0.000) 0.000 9.706 ( -0.000 0.000 0.000) 0.000 10.482 ( -0.000 0.000 0.000) 0.000 11.240 ( -0.000 0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.293 ( -0.000 0.000 0.000) 0.000 11.853 ( -0.000 0.000 0.000) 0.000 12.340 ( -0.000 0.000 0.000) 0.000 12.397 ( 0.000 0.000 0.000) 0.000 13.169 ( 0.000 0.000 0.000) 0.000 13.257 ( -0.000 0.000 -0.000) 0.000 13.771 ( -0.000 0.000 0.000) 0.000 13.901 ( -0.000 0.000 0.000) 0.000 14.064 ( -0.000 0.000 0.000) 0.000 14.336 ( -0.000 0.000 0.000) 0.000 23.785 ( -0.000 0.000 -0.000) 0.000 23.841 ( 0.000 0.000 0.000) 0.000 24.345 ( -0.000 0.000 0.000) 0.000 24.960 ( 0.000 0.000 0.000) 0.000 25.118 ( -0.000 0.000 0.000) 0.000 25.861 ( 0.000 0.000 0.000) 0.000 28.729 ( -0.000 0.000 0.000) 0.000 28.836 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 326 (162/185) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -5.338 0.000 3.897) 6.609 1.869 ( 1.258 0.000 -8.573) 8.665 1.990 ( 10.368 0.000 -21.892) 24.223 2.252 ( 10.333 0.000 21.942) 24.253 2.580 ( -1.300 0.000 1.625) 2.081 2.794 ( 2.027 0.000 0.755) 2.163 3.027 ( 6.062 0.000 -19.219) 20.152 3.046 ( -2.666 0.000 9.197) 9.576 3.351 ( 0.756 0.000 -1.609) 1.778 3.529 ( 5.999 0.000 3.103) 6.754 3.755 ( -1.186 0.000 2.008) 2.333 3.847 ( 1.895 0.000 -2.821) 3.399 4.552 ( 1.432 0.000 -1.961) 2.428 4.727 ( -1.290 0.000 -0.494) 1.381 5.156 ( -5.207 0.000 -0.445) 5.226 5.493 ( -6.920 0.000 2.811) 7.469 5.688 ( -0.339 0.000 1.513) 1.551 5.789 ( -4.294 0.000 0.916) 4.391 5.893 ( -0.222 0.000 -2.519) 2.528 6.428 ( 1.660 0.000 -3.065) 3.485 7.091 ( -6.482 0.000 -1.529) 6.660 7.198 ( -3.391 0.000 0.798) 3.484 7.414 ( 1.299 0.000 1.413) 1.919 8.034 ( -4.224 0.000 -2.171) 4.750 8.807 ( -5.418 0.000 0.724) 5.466 9.441 ( 0.316 0.000 2.991) 3.008 9.752 ( 3.846 0.000 3.767) 5.383 10.514 ( 2.707 0.000 1.717) 3.205 11.174 ( -1.724 0.000 -11.057) 11.191 11.319 ( 6.626 0.000 3.562) 7.522 11.366 ( 2.390 0.000 7.461) 7.834 11.833 ( -0.926 0.000 -3.400) 3.524 12.306 ( -1.512 0.000 -0.121) 1.517 12.458 ( 3.207 0.000 4.562) 5.576 13.092 ( -3.981 0.000 -8.327) 9.230 13.288 ( -1.241 0.000 9.549) 9.629 13.767 ( -0.074 0.000 -1.402) 1.404 13.898 ( -0.758 0.000 1.457) 1.642 14.070 ( 1.046 0.000 -0.919) 1.392 14.321 ( -0.073 0.000 -4.761) 4.761 23.628 ( -8.373 0.000 -4.839) 9.671 24.002 ( 4.760 0.000 15.155) 15.885 24.369 ( 3.526 0.000 0.637) 3.583 24.964 ( 0.322 0.000 0.286) 0.431 25.114 ( -0.389 0.000 -0.131) 0.410 25.785 ( -5.903 0.000 -8.794) 10.591 28.749 ( 1.752 0.000 1.617) 2.384 28.830 ( 0.216 0.000 -2.868) 2.876 ======================= Grid point 327 (163/185) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -6.470 0.000 4.483) 7.871 1.824 ( -0.346 0.000 -10.897) 10.903 2.074 ( 9.827 0.000 -21.507) 23.646 2.557 ( 8.480 0.000 18.810) 20.634 2.583 ( 0.734 0.000 1.555) 1.719 2.830 ( 1.067 0.000 1.276) 1.664 3.082 ( 10.904 0.000 -14.414) 18.074 3.103 ( 6.007 0.000 5.817) 8.362 3.359 ( 1.486 0.000 -3.092) 3.431 3.691 ( 10.116 0.000 0.965) 10.162 3.742 ( -1.870 0.000 3.557) 4.019 3.866 ( 2.515 0.000 -5.291) 5.858 4.578 ( 3.283 0.000 -4.191) 5.324 4.696 ( -1.217 0.000 -2.274) 2.579 5.033 ( -7.988 0.000 1.641) 8.155 5.346 ( -10.763 0.000 4.213) 11.558 5.686 ( -1.154 0.000 2.420) 2.681 5.704 ( -7.257 0.000 3.211) 7.936 5.843 ( -2.472 0.000 -4.342) 4.997 6.447 ( 2.336 0.000 -4.721) 5.267 6.928 ( -9.383 0.000 -2.293) 9.659 7.130 ( -4.403 0.000 1.487) 4.648 7.445 ( 0.743 0.000 1.776) 1.925 7.920 ( -6.097 0.000 -2.935) 6.766 8.714 ( -4.975 0.000 1.646) 5.240 9.448 ( -1.291 0.000 2.940) 3.211 9.871 ( 5.733 0.000 6.133) 8.395 10.582 ( 3.110 0.000 2.139) 3.774 11.091 ( -0.727 0.000 -10.755) 10.780 11.441 ( 2.101 0.000 5.065) 5.484 11.460 ( 4.958 0.000 5.044) 7.073 11.794 ( -0.807 0.000 -4.419) 4.492 12.307 ( 2.608 0.000 -3.254) 4.170 12.538 ( 1.644 0.000 8.367) 8.527 12.976 ( -3.748 0.000 -5.949) 7.031 13.295 ( -3.377 0.000 8.537) 9.181 13.756 ( 0.001 0.000 -2.060) 2.060 13.889 ( -1.271 0.000 2.163) 2.509 14.096 ( 2.247 0.000 -0.331) 2.271 14.289 ( 0.170 0.000 -6.948) 6.950 23.455 ( -8.644 0.000 -0.875) 8.689 24.111 ( -0.612 0.000 10.882) 10.899 24.515 ( 9.752 0.000 7.076) 12.049 24.974 ( 0.490 0.000 0.439) 0.658 25.104 ( -0.596 0.000 -0.203) 0.630 25.563 ( -10.336 0.000 -16.131) 19.158 28.799 ( 1.551 0.000 2.005) 2.535 28.821 ( 1.321 0.000 -2.869) 3.158 ======================= Grid point 328 (164/185) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -4.744 0.000 3.213) 5.730 1.754 ( -1.244 0.000 -8.166) 8.260 2.087 ( 4.172 0.000 -18.616) 19.078 2.614 ( 1.824 0.000 0.253) 1.841 2.709 ( 0.093 0.000 12.156) 12.156 2.845 ( -0.138 0.000 1.481) 1.487 3.244 ( 9.688 0.000 -1.607) 9.821 3.335 ( 15.215 0.000 1.590) 15.298 3.370 ( 1.659 0.000 -3.451) 3.829 3.728 ( -1.694 0.000 3.700) 4.069 3.858 ( 6.726 0.000 -7.427) 10.020 3.914 ( 7.964 0.000 -1.578) 8.119 4.628 ( 5.857 0.000 -7.889) 9.825 4.668 ( -0.015 0.000 -2.490) 2.490 4.905 ( -7.468 0.000 4.135) 8.537 5.160 ( -13.337 0.000 7.556) 15.329 5.559 ( -9.134 0.000 1.302) 9.227 5.677 ( -1.099 0.000 2.475) 2.708 5.777 ( -2.589 0.000 -2.639) 3.697 6.436 ( -1.519 0.000 -4.457) 4.709 6.778 ( -4.408 0.000 -2.159) 4.908 7.064 ( -3.674 0.000 1.775) 4.080 7.446 ( -1.484 0.000 0.440) 1.548 7.811 ( -3.973 0.000 -1.551) 4.265 8.654 ( -2.585 0.000 1.611) 3.046 9.434 ( -1.367 0.000 1.764) 2.232 10.005 ( 4.883 0.000 5.989) 7.727 10.635 ( 1.668 0.000 0.827) 1.861 11.038 ( 0.301 0.000 -7.539) 7.545 11.494 ( 1.409 0.000 2.720) 3.063 11.533 ( 0.714 0.000 3.922) 3.987 11.757 ( -0.810 0.000 -4.036) 4.116 12.345 ( 3.415 0.000 -5.318) 6.320 12.607 ( 0.829 0.000 8.723) 8.762 12.913 ( -0.617 0.000 -2.243) 2.326 13.260 ( -4.385 0.000 5.364) 6.928 13.747 ( 0.154 0.000 -1.793) 1.800 13.876 ( -1.266 0.000 1.906) 2.288 14.144 ( 2.405 0.000 1.225) 2.699 14.258 ( 0.488 0.000 -6.236) 6.255 23.319 ( -6.174 0.000 0.975) 6.251 24.122 ( -2.165 0.000 4.907) 5.363 24.739 ( 8.269 0.000 10.836) 13.631 24.985 ( 0.428 0.000 0.387) 0.578 25.092 ( -0.525 0.000 -0.182) 0.556 25.289 ( -8.355 0.000 -17.563) 19.449 28.809 ( 1.632 0.000 -3.811) 4.146 28.853 ( 0.248 0.000 3.612) 3.621 ======================= Grid point 329 (165/185) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -1.695 0.000 1.156) 2.052 1.705 ( -0.599 0.000 -2.970) 3.030 2.059 ( 1.132 0.000 -7.492) 7.577 2.641 ( 0.897 0.000 -0.238) 0.928 2.740 ( -0.700 0.000 3.989) 4.050 2.846 ( -0.276 0.000 0.764) 0.812 3.366 ( 3.333 0.000 0.823) 3.433 3.379 ( 0.752 0.000 -1.578) 1.748 3.551 ( 5.587 0.000 1.568) 5.803 3.721 ( -0.681 0.000 1.632) 1.768 3.926 ( 5.262 0.000 -4.766) 7.100 4.041 ( 4.139 0.000 -1.282) 4.333 4.679 ( 1.014 0.000 1.849) 2.109 4.717 ( 9.762 0.000 -12.237) 15.654 4.818 ( -2.928 0.000 2.359) 3.760 4.945 ( -14.806 0.000 9.788) 17.749 5.432 ( -4.169 0.000 0.009) 4.169 5.675 ( -0.261 0.000 1.190) 1.218 5.730 ( -1.196 0.000 -0.847) 1.465 6.366 ( -2.569 0.000 -1.905) 3.198 6.744 ( 0.281 0.000 -1.023) 1.061 7.022 ( -1.600 0.000 0.893) 1.833 7.413 ( -1.363 0.000 -0.315) 1.399 7.765 ( -0.956 0.000 -0.163) 0.970 8.632 ( -0.703 0.000 0.648) 0.955 9.424 ( -0.479 0.000 0.583) 0.754 10.093 ( 1.902 0.000 2.620) 3.237 10.653 ( 0.363 0.000 -0.189) 0.409 11.018 ( 0.346 0.000 -2.528) 2.552 11.521 ( 0.489 0.000 0.823) 0.957 11.548 ( -0.239 0.000 1.615) 1.633 11.727 ( -0.427 0.000 -1.928) 1.975 12.363 ( 1.030 0.000 -2.338) 2.555 12.653 ( 0.409 0.000 3.418) 3.443 12.916 ( 0.816 0.000 -0.202) 0.841 13.211 ( -2.408 0.000 1.688) 2.941 13.742 ( 0.115 0.000 -0.724) 0.733 13.866 ( -0.552 0.000 0.774) 0.951 14.184 ( 0.928 0.000 1.341) 1.631 14.241 ( 0.385 0.000 -2.970) 2.994 23.248 ( -2.155 0.000 0.689) 2.263 24.103 ( -1.260 0.000 1.206) 1.744 24.896 ( 2.900 0.000 7.541) 8.080 24.992 ( 0.168 0.000 0.154) 0.228 25.084 ( -0.208 0.000 -0.073) 0.220 25.110 ( -2.658 0.000 -10.083) 10.427 28.828 ( 2.710 0.000 -4.062) 4.883 28.855 ( -2.166 0.000 4.050) 4.593 ======================= Grid point 334 (166/185) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.000 11.660 0.000) 11.660 1.992 ( 0.000 5.692 -0.000) 5.692 2.001 ( -0.000 2.109 0.000) 2.109 2.127 ( -0.000 11.627 0.000) 11.627 2.589 ( -0.000 2.056 -0.000) 2.056 2.779 ( 0.000 -0.157 -0.000) 0.157 3.120 ( 0.000 8.995 -0.000) 8.995 3.202 ( -0.000 14.867 0.000) 14.867 3.435 ( -0.000 8.861 0.000) 8.861 3.455 ( 0.000 -0.311 0.000) 0.311 3.811 ( -0.000 -2.592 -0.000) 2.592 3.812 ( 0.000 4.130 0.000) 4.130 4.538 ( 0.000 -0.617 0.000) 0.617 4.713 ( -0.000 -2.904 0.000) 2.904 5.137 ( -0.000 -7.011 0.000) 7.011 5.464 ( -0.000 -7.781 0.000) 7.781 5.733 ( 0.000 4.086 0.000) 4.086 5.852 ( 0.000 -0.742 -0.000) 0.742 5.857 ( -0.000 -1.148 0.000) 1.148 6.540 ( 0.000 11.826 0.000) 11.826 7.068 ( -0.000 -8.467 0.000) 8.467 7.290 ( -0.000 6.169 0.000) 6.169 7.410 ( -0.000 1.556 0.000) 1.556 8.088 ( -0.000 -0.006 0.000) 0.006 8.843 ( 0.000 -1.046 0.000) 1.046 9.363 ( -0.000 -5.256 0.000) 5.256 9.803 ( 0.000 9.167 0.000) 9.167 10.583 ( -0.000 9.007 0.000) 9.007 11.117 ( 0.000 -5.537 -0.000) 5.537 11.335 ( -0.000 4.235 -0.000) 4.235 11.386 ( 0.000 7.207 0.000) 7.207 11.842 ( -0.000 -1.105 0.000) 1.105 12.301 ( -0.000 -3.826 -0.000) 3.826 12.337 ( 0.000 -5.883 0.000) 5.883 13.080 ( 0.000 -8.605 0.000) 8.605 13.152 ( -0.000 -9.929 -0.000) 9.929 13.783 ( 0.000 0.642 0.000) 0.642 13.973 ( -0.000 6.109 0.000) 6.109 14.110 ( 0.000 4.615 0.000) 4.615 14.302 ( 0.000 -3.127 0.000) 3.127 23.675 ( 0.000 -10.422 0.000) 10.422 23.800 ( -0.000 -4.114 -0.000) 4.114 24.224 ( -0.000 -7.405 0.000) 7.405 24.780 ( 0.000 -15.325 0.000) 15.325 25.418 ( -0.000 24.949 0.000) 24.949 26.045 ( 0.000 15.632 0.000) 15.632 28.713 ( -0.000 -1.586 0.000) 1.586 28.814 ( -0.000 -2.205 0.000) 2.205 ======================= Grid point 336 (167/185) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -2.620 12.641 1.717) 13.024 2.009 ( 10.742 2.432 -20.266) 23.065 2.028 ( 1.271 13.764 -7.366) 15.662 2.301 ( 11.161 5.608 18.485) 22.309 2.568 ( -1.198 0.618 2.305) 2.670 2.802 ( 1.481 0.043 1.220) 1.920 3.123 ( 1.289 9.536 -1.998) 9.828 3.159 ( -0.978 10.956 -7.022) 13.050 3.440 ( 0.749 8.847 -0.561) 8.896 3.540 ( 6.874 2.030 3.007) 7.772 3.785 ( -1.319 0.627 -1.024) 1.784 3.838 ( 1.762 0.583 -0.035) 1.856 4.546 ( 1.360 -0.571 -1.553) 2.142 4.704 ( -0.773 -2.457 -0.756) 2.684 5.088 ( -5.088 -6.769 0.024) 8.468 5.418 ( -5.937 -7.171 2.763) 9.711 5.737 ( 0.043 4.239 0.811) 4.317 5.781 ( -4.935 -0.656 0.883) 5.056 5.873 ( -0.368 -1.777 -2.707) 3.259 6.545 ( 1.255 11.690 -2.426) 12.005 7.014 ( -5.331 -7.346 -1.093) 9.142 7.264 ( -2.934 6.663 0.706) 7.314 7.427 ( 1.242 1.335 1.296) 2.237 8.047 ( -3.928 0.626 -1.652) 4.307 8.803 ( -4.211 0.091 0.690) 4.268 9.370 ( 0.409 -5.832 1.150) 5.958 9.839 ( 2.631 7.848 3.850) 9.129 10.605 ( 1.771 8.276 1.254) 8.556 11.149 ( 2.319 -3.496 -2.760) 5.022 11.278 ( -0.005 1.556 -5.036) 5.271 11.479 ( 4.185 7.097 8.132) 11.576 11.826 ( -0.739 -0.688 -2.742) 2.922 12.254 ( -1.177 -5.099 -2.284) 5.710 12.413 ( 3.324 -4.476 5.920) 8.131 13.014 ( -3.191 -7.710 -8.085) 11.619 13.177 ( -1.345 -10.283 9.138) 13.822 13.780 ( -0.123 0.825 -0.807) 1.161 13.966 ( -1.019 5.803 0.983) 5.973 14.103 ( -0.406 3.330 -0.212) 3.362 14.289 ( -0.022 -2.957 -4.640) 5.503 23.560 ( -7.179 -6.555 -2.945) 10.158 23.944 ( 6.457 -6.032 13.724) 16.322 24.233 ( 2.130 -8.503 -2.094) 9.013 24.784 ( 1.492 -15.259 -3.833) 15.803 25.403 ( -1.760 24.252 1.015) 24.337 25.983 ( -5.652 16.592 -4.335) 18.056 28.733 ( 1.656 -1.628 1.674) 2.863 28.806 ( 0.002 -2.342 -2.617) 3.512 ======================= Grid point 337 (168/185) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -2.022 17.160 1.353) 17.331 1.968 ( -0.920 12.322 -10.484) 16.205 2.122 ( 9.753 6.539 -18.312) 21.753 2.497 ( 0.856 0.107 7.563) 7.612 2.721 ( 12.957 8.192 10.647) 18.664 2.838 ( 2.195 0.019 1.646) 2.744 3.134 ( 1.605 3.803 0.524) 4.161 3.174 ( 7.964 9.913 -7.698) 14.864 3.455 ( 1.480 8.940 -1.494) 9.184 3.681 ( 5.222 0.029 0.511) 5.247 3.772 ( 2.368 0.972 -1.507) 2.970 3.873 ( 2.531 1.688 -1.065) 3.223 4.573 ( 3.114 -0.477 -3.527) 4.729 4.681 ( -0.572 -1.514 -2.671) 3.123 4.973 ( -7.606 -6.058 2.013) 9.930 5.290 ( -9.823 -5.543 4.420) 12.114 5.674 ( -8.011 -2.810 2.067) 8.738 5.741 ( -0.540 5.319 1.464) 5.543 5.823 ( -2.561 -1.849 -3.860) 4.988 6.558 ( 1.751 11.272 -3.701) 11.992 6.882 ( -7.517 -4.346 -1.610) 8.831 7.204 ( -3.900 7.429 1.110) 8.464 7.458 ( 0.880 1.270 1.801) 2.374 7.941 ( -5.978 1.697 -2.360) 6.647 8.723 ( -4.576 1.170 1.253) 4.886 9.385 ( 0.258 -5.570 1.533) 5.783 9.929 ( 4.048 5.373 5.928) 8.967 10.648 ( 1.743 6.141 1.563) 6.572 11.119 ( -0.537 2.507 -9.377) 9.721 11.315 ( 2.906 -6.119 1.838) 7.019 11.589 ( 2.744 6.849 6.814) 10.043 11.797 ( -0.495 0.324 -3.377) 3.428 12.256 ( 3.447 -4.945 -4.356) 7.437 12.498 ( 1.511 -4.072 8.739) 9.759 12.912 ( -3.267 -6.615 -5.788) 9.378 13.185 ( -2.964 -10.264 8.063) 13.385 13.772 ( -0.093 1.243 -1.278) 1.785 13.946 ( -1.896 4.782 1.602) 5.388 14.103 ( 0.511 0.848 0.587) 1.151 14.256 ( 0.110 -2.982 -6.937) 7.551 23.421 ( -6.935 -3.115 -0.085) 7.603 24.085 ( 0.054 -2.770 11.628) 11.954 24.326 ( 8.761 -13.284 2.341) 16.084 24.787 ( 2.078 -15.248 -7.639) 17.180 25.376 ( -1.599 22.969 1.151) 23.053 25.804 ( -9.852 19.284 -6.880) 22.721 28.775 ( 0.977 -2.487 0.630) 2.745 28.799 ( 1.447 -2.061 -1.278) 2.824 ======================= Grid point 338 (169/185) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -1.355 22.553 0.893) 22.611 1.899 ( -0.999 12.754 -7.287) 14.722 2.142 ( 3.231 7.067 -15.261) 17.126 2.531 ( 0.248 -2.156 2.383) 3.223 2.863 ( 1.497 6.790 4.438) 8.248 2.931 ( 1.433 10.860 5.119) 12.091 3.254 ( 9.968 0.101 -0.944) 10.013 3.353 ( 11.617 5.225 2.101) 12.910 3.483 ( 3.821 8.967 -3.364) 10.311 3.703 ( -0.970 -2.393 2.510) 3.601 3.844 ( 5.400 -1.192 -7.459) 9.286 3.952 ( 6.956 3.492 -0.855) 7.830 4.621 ( 5.503 -0.645 -7.568) 9.379 4.662 ( 0.438 -0.593 -2.406) 2.516 4.854 ( -6.891 -5.121 3.980) 9.463 5.119 ( -12.754 -4.157 7.687) 15.461 5.516 ( -9.367 -3.898 0.885) 10.184 5.727 ( -1.966 1.979 -0.510) 2.836 5.765 ( -1.453 1.824 -0.560) 2.398 6.539 ( -2.566 9.796 -3.317) 10.656 6.774 ( -2.148 0.236 -1.551) 2.660 7.143 ( -3.344 7.813 1.088) 8.568 7.465 ( -0.957 2.071 0.889) 2.448 7.831 ( -4.321 1.887 -1.389) 4.915 8.663 ( -2.688 1.035 1.202) 3.121 9.393 ( -0.155 -4.129 1.043) 4.261 10.036 ( 3.827 3.211 5.821) 7.671 10.677 ( 0.797 4.008 0.433) 4.110 11.067 ( -0.012 2.942 -6.935) 7.533 11.361 ( 1.175 -8.018 1.064) 8.173 11.642 ( 0.213 5.759 4.220) 7.143 11.771 ( -0.531 1.612 -2.818) 3.290 12.310 ( 4.498 -3.536 -5.835) 8.172 12.559 ( 0.110 -4.847 8.788) 10.036 12.856 ( -0.283 -5.843 -2.033) 6.193 13.157 ( -3.850 -9.802 5.060) 11.683 13.766 ( 0.257 1.715 -1.290) 2.161 13.917 ( -2.234 3.307 1.648) 4.318 14.127 ( 1.121 -1.418 1.996) 2.693 14.225 ( 0.525 -3.227 -6.526) 7.299 23.318 ( -4.669 0.135 1.306) 4.850 24.099 ( -2.018 -2.221 3.939) 4.952 24.514 ( 6.708 -14.741 9.260) 18.656 24.775 ( 2.260 -15.273 -10.966) 18.937 25.361 ( -0.448 22.168 -0.008) 22.172 25.598 ( -8.310 21.749 -4.408) 23.696 28.781 ( 1.534 -2.826 -3.411) 4.688 28.830 ( 0.087 -2.312 3.276) 4.010 ======================= Grid point 339 (170/185) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -0.489 25.764 0.352) 25.771 1.861 ( -0.283 13.873 -2.309) 14.067 2.112 ( 0.660 6.688 -6.445) 9.312 2.538 ( -0.091 -3.500 0.585) 3.550 2.903 ( 1.154 6.795 1.247) 7.004 2.938 ( -1.305 11.773 1.788) 11.980 3.393 ( 4.311 3.155 0.124) 5.344 3.459 ( 1.160 7.518 0.962) 7.668 3.582 ( 3.790 3.171 -0.111) 4.943 3.705 ( -0.010 -1.505 1.280) 1.976 3.924 ( 6.546 -0.190 -3.151) 7.267 4.041 ( 2.202 0.143 -2.303) 3.190 4.680 ( 1.075 -0.002 2.505) 2.726 4.704 ( 9.491 -1.408 -12.434) 15.705 4.775 ( -2.252 -4.191 1.442) 4.971 4.912 ( -14.765 -3.183 10.295) 18.279 5.385 ( -4.273 -4.272 -0.056) 6.042 5.685 ( -1.282 -2.286 -0.767) 2.731 5.759 ( -0.049 6.143 0.633) 6.176 6.462 ( -2.735 8.729 -1.333) 9.244 6.771 ( 0.996 3.545 -0.760) 3.760 7.100 ( -1.572 7.657 0.467) 7.830 7.444 ( -1.044 3.378 0.013) 3.536 7.779 ( -1.182 1.290 -0.197) 1.761 8.637 ( -0.793 0.627 0.488) 1.123 9.394 ( -0.109 -3.181 0.356) 3.203 10.112 ( 1.580 2.080 2.567) 3.663 10.684 ( 0.118 2.981 -0.294) 2.998 11.045 ( 0.180 2.689 -2.313) 3.551 11.374 ( 0.145 -8.938 0.198) 8.942 11.657 ( -0.111 5.220 1.634) 5.471 11.750 ( -0.325 2.498 -1.422) 2.893 12.339 ( 1.425 -2.360 -2.657) 3.829 12.595 ( 0.065 -6.013 3.521) 6.968 12.865 ( 0.987 -5.134 -0.035) 5.228 13.115 ( -2.213 -9.454 1.586) 9.838 13.767 ( 0.305 2.260 -0.617) 2.362 13.890 ( -1.139 1.884 0.757) 2.328 14.154 ( 0.453 -2.699 1.763) 3.255 14.207 ( 0.452 -3.352 -3.261) 4.699 23.268 ( -1.551 2.207 0.802) 2.814 24.078 ( -1.150 -2.364 0.668) 2.713 24.634 ( 1.401 -13.991 7.042) 15.725 24.758 ( 1.688 -15.525 -7.864) 17.485 25.354 ( -0.017 22.309 -1.035) 22.333 25.484 ( -2.820 21.725 -0.211) 21.909 28.801 ( 2.642 -2.762 -3.628) 5.269 28.828 ( -2.161 -2.641 3.628) 4.981 ======================= Grid point 344 (171/185) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.000 8.943 -0.000) 8.943 2.057 ( -0.000 2.943 -0.000) 2.943 2.065 ( 0.000 4.614 0.000) 4.614 2.368 ( -0.000 7.351 0.000) 7.351 2.718 ( -0.000 10.774 0.000) 10.774 2.823 ( 0.000 8.189 -0.000) 8.189 3.346 ( 0.000 9.230 -0.000) 9.230 3.485 ( -0.000 6.283 -0.000) 6.283 3.489 ( 0.000 12.903 0.000) 12.903 3.662 ( -0.000 8.303 0.000) 8.303 3.767 ( 0.000 4.433 -0.000) 4.433 3.876 ( -0.000 2.296 -0.000) 2.296 4.524 ( 0.000 -0.857 -0.000) 0.857 4.636 ( -0.000 -4.848 0.000) 4.848 4.958 ( -0.000 -11.078 0.000) 11.078 5.277 ( -0.000 -11.143 0.000) 11.143 5.832 ( 0.000 5.095 0.000) 5.095 5.836 ( 0.000 -0.938 -0.000) 0.938 5.839 ( -0.000 0.759 0.000) 0.759 6.808 ( -0.000 4.507 0.000) 4.507 6.904 ( -0.000 2.763 0.000) 2.763 7.414 ( -0.000 4.182 0.000) 4.182 7.493 ( -0.000 9.161 0.000) 9.161 8.050 ( -0.000 -4.048 -0.000) 4.048 8.860 ( 0.000 3.019 0.000) 3.019 9.263 ( -0.000 -4.659 0.000) 4.659 10.012 ( 0.000 11.821 0.000) 11.821 10.732 ( -0.000 3.766 0.000) 3.766 11.077 ( 0.000 3.157 -0.000) 3.157 11.448 ( -0.000 7.277 -0.000) 7.277 11.516 ( 0.000 6.370 0.000) 6.370 11.809 ( -0.000 -2.472 0.000) 2.472 12.196 ( -0.000 -8.168 -0.000) 8.168 12.206 ( 0.000 -5.764 0.000) 5.764 12.871 ( 0.000 -12.520 0.000) 12.520 12.917 ( -0.000 -13.902 -0.000) 13.902 13.787 ( 0.000 0.008 0.000) 0.008 14.064 ( -0.000 1.321 0.000) 1.321 14.220 ( 0.000 6.212 0.000) 6.212 14.255 ( -0.000 0.054 0.000) 0.054 23.463 ( 0.000 -9.878 0.000) 9.878 23.695 ( -0.000 -6.565 -0.000) 6.565 24.125 ( -0.000 -3.484 0.000) 3.484 24.478 ( 0.000 -14.878 0.000) 14.878 25.917 ( -0.000 25.359 0.000) 25.359 26.356 ( 0.000 15.455 0.000) 15.455 28.673 ( 0.000 -2.500 0.000) 2.500 28.756 ( -0.000 -3.702 0.000) 3.702 ======================= Grid point 346 (172/185) ======================= q-point: ( 0.11 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.315 7.972 -3.650) 8.774 2.089 ( 11.942 5.474 -14.306) 19.423 2.262 ( 5.907 9.366 0.141) 11.074 2.414 ( 10.942 1.920 5.300) 12.308 2.685 ( -4.719 13.149 6.416) 15.373 2.852 ( 2.446 7.193 0.049) 7.598 3.306 ( -5.353 5.800 3.728) 8.729 3.411 ( 1.697 15.411 -9.467) 18.166 3.603 ( 4.788 6.981 0.642) 8.489 3.671 ( 1.460 4.645 -2.972) 5.704 3.764 ( 0.266 5.302 -0.317) 5.318 3.887 ( 0.697 3.470 3.301) 4.840 4.534 ( 0.980 -0.737 0.253) 1.252 4.637 ( 0.784 -4.272 -2.349) 4.938 4.916 ( -4.586 -10.528 1.024) 11.530 5.242 ( -4.468 -10.667 2.133) 11.760 5.759 ( -5.938 -0.713 -0.319) 5.990 5.835 ( -0.391 -0.340 -1.723) 1.799 5.853 ( 0.301 5.455 0.146) 5.465 6.799 ( -1.202 0.075 -0.416) 1.274 6.887 ( -0.902 8.645 -1.080) 8.758 7.418 ( -0.525 6.780 1.285) 6.920 7.482 ( -0.572 6.462 -0.124) 6.488 8.031 ( -2.248 -2.383 0.017) 3.276 8.833 ( -2.970 3.195 0.203) 4.367 9.262 ( 0.201 -5.011 -0.463) 5.036 10.018 ( 0.459 10.276 1.739) 10.432 10.750 ( 1.666 4.286 -1.080) 4.723 11.106 ( 1.865 1.448 2.905) 3.744 11.361 ( -2.673 6.012 -10.230) 12.163 11.613 ( 3.800 6.807 9.618) 12.380 11.806 ( 0.096 -1.453 -0.945) 1.735 12.129 ( -0.439 -7.487 -6.304) 9.797 12.303 ( 3.166 -6.560 8.501) 11.195 12.818 ( -2.238 -12.174 -7.534) 14.491 12.939 ( -1.282 -13.844 8.344) 16.214 13.787 ( 0.125 0.141 -0.295) 0.350 14.062 ( -0.570 2.049 0.759) 2.258 14.164 ( -4.325 2.351 -0.323) 4.933 14.258 ( -0.072 1.749 -3.053) 3.519 23.420 ( -3.429 -6.745 -0.176) 7.569 23.796 ( 7.002 -8.643 8.443) 13.965 24.122 ( 0.454 -3.641 -2.140) 4.248 24.487 ( 2.939 -14.517 -6.921) 16.348 25.891 ( -2.820 25.025 0.968) 25.202 26.311 ( -4.974 16.293 -0.150) 17.036 28.690 ( 1.152 -2.838 1.633) 3.471 28.747 ( -0.208 -3.628 -1.929) 4.115 ======================= Grid point 347 (173/185) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 4.409 9.314 -5.226) 11.554 2.178 ( 0.694 7.797 -6.817) 10.380 2.334 ( 11.464 12.479 -12.717) 21.186 2.632 ( -3.503 15.282 4.646) 16.352 2.772 ( 15.835 -2.336 5.823) 17.033 2.930 ( 8.532 9.403 4.722) 13.546 3.229 ( -3.944 5.579 1.246) 6.945 3.433 ( 4.632 15.125 -4.379) 16.413 3.646 ( 0.776 9.391 -0.091) 9.423 3.662 ( -0.991 -3.665 -1.977) 4.281 3.799 ( 4.330 4.060 -4.889) 7.690 3.943 ( 3.499 5.439 2.721) 7.017 4.564 ( 2.485 -0.345 -0.771) 2.625 4.637 ( 1.202 -3.196 -4.484) 5.636 4.820 ( -6.403 -9.122 2.336) 11.387 5.146 ( -7.849 -9.114 4.450) 12.825 5.621 ( -9.151 -2.162 0.026) 9.403 5.776 ( -3.878 -2.541 -3.259) 5.667 5.875 ( 1.383 8.023 0.904) 8.191 6.746 ( -4.340 -4.263 -0.253) 6.089 6.884 ( 1.500 16.433 -1.910) 16.612 7.388 ( -2.855 10.831 -0.051) 11.201 7.495 ( 1.123 2.701 1.927) 3.503 7.966 ( -4.700 0.692 -0.541) 4.782 8.766 ( -4.156 3.370 0.365) 5.363 9.270 ( 0.933 -5.994 -0.267) 6.072 10.056 ( 2.236 7.778 3.458) 8.801 10.764 ( 0.500 4.158 -1.378) 4.409 11.147 ( 0.570 0.268 1.389) 1.525 11.272 ( -1.354 2.685 -8.047) 8.591 11.710 ( 1.144 5.687 7.093) 9.163 11.809 ( 0.846 1.106 -0.441) 1.461 12.134 ( 4.885 -7.543 -6.242) 10.942 12.395 ( 1.188 -6.282 9.552) 11.494 12.734 ( -2.482 -11.460 -5.443) 12.928 12.947 ( -2.470 -13.763 7.170) 15.714 13.790 ( 0.423 0.618 -0.520) 0.912 14.037 ( -3.081 4.444 0.411) 5.423 14.100 ( -2.115 -2.735 1.437) 3.744 14.218 ( -1.576 0.451 -5.163) 5.417 23.364 ( -2.781 -2.063 1.358) 3.719 23.984 ( 4.957 -8.476 14.457) 17.476 24.131 ( 3.804 -5.954 -5.327) 8.849 24.502 ( 4.294 -13.618 -12.378) 18.897 25.840 ( -2.918 24.102 0.888) 24.295 26.180 ( -9.009 18.624 0.198) 20.689 28.709 ( 0.166 -4.047 -0.555) 4.088 28.748 ( 1.201 -3.220 0.419) 3.462 ======================= Grid point 348 (174/185) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 4.526 11.179 -4.719) 12.951 2.134 ( -1.106 9.051 -3.845) 9.896 2.424 ( 3.601 20.923 -7.891) 22.650 2.603 ( -1.232 11.120 -0.312) 11.192 2.939 ( 5.374 2.319 2.667) 6.432 3.176 ( -2.555 9.514 3.441) 10.434 3.263 ( 17.482 4.193 2.204) 18.113 3.532 ( 6.352 11.928 1.361) 13.582 3.635 ( -1.286 -2.803 1.161) 3.295 3.672 ( 3.566 7.636 -0.963) 8.482 3.830 ( 2.662 0.357 -6.696) 7.215 4.028 ( 5.069 4.165 -2.166) 6.909 4.605 ( 4.250 -1.128 -7.738) 8.901 4.636 ( -0.243 -3.295 1.138) 3.495 4.733 ( -3.666 -5.974 1.144) 7.102 5.011 ( -10.771 -6.676 7.927) 14.947 5.443 ( -9.725 -3.043 -0.157) 10.192 5.680 ( -4.370 -3.835 -2.613) 6.375 5.906 ( 1.393 9.559 0.871) 9.700 6.657 ( -4.751 -0.910 -0.304) 4.847 6.914 ( 2.630 16.819 -1.569) 17.095 7.329 ( -3.196 10.423 -0.876) 10.937 7.527 ( 0.959 4.534 2.512) 5.271 7.870 ( -4.853 2.012 -0.817) 5.317 8.700 ( -3.085 2.935 0.383) 4.276 9.288 ( 0.980 -6.536 -0.063) 6.610 10.125 ( 2.668 6.063 4.068) 7.773 10.757 ( -0.233 3.188 -1.549) 3.552 11.135 ( -1.158 3.157 -1.669) 3.754 11.230 ( -0.276 -4.154 -3.821) 5.651 11.736 ( -0.500 4.012 2.933) 4.995 11.822 ( 0.238 3.779 0.649) 3.842 12.217 ( 6.873 -6.164 -6.604) 11.351 12.436 ( -2.065 -7.440 8.572) 11.537 12.697 ( 0.729 -10.517 -1.208) 10.611 12.925 ( -3.364 -13.580 4.379) 14.660 13.798 ( 0.958 1.421 -0.845) 1.910 13.971 ( -3.982 2.018 0.798) 4.535 14.093 ( -0.959 -2.802 3.972) 4.955 14.162 ( -0.672 -2.127 -6.656) 7.020 23.338 ( -1.187 2.396 2.221) 3.476 24.048 ( -1.455 -3.022 3.037) 4.525 24.255 ( 6.882 -12.158 7.915) 16.057 24.505 ( 4.239 -12.749 -15.734) 20.690 25.804 ( -1.073 23.080 -0.620) 23.113 26.015 ( -8.913 20.841 1.829) 22.741 28.710 ( 1.223 -4.240 -2.376) 5.012 28.769 ( -0.279 -3.899 2.436) 4.606 ======================= Grid point 349 (175/185) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 1.855 12.289 -1.734) 12.549 2.108 ( -0.252 9.118 -1.347) 9.220 2.420 ( 0.131 26.262 -2.431) 26.375 2.580 ( -0.639 8.532 -0.927) 8.606 3.022 ( 2.176 5.362 0.898) 5.856 3.149 ( -1.238 8.415 1.058) 8.571 3.505 ( 8.104 8.596 -1.374) 11.894 3.599 ( -0.190 2.367 3.328) 4.089 3.635 ( -0.286 3.432 5.459) 6.455 3.719 ( -0.151 5.162 -6.137) 8.021 3.919 ( 10.124 -0.286 1.199) 10.199 4.058 ( -1.256 2.056 -4.901) 5.461 4.628 ( -1.785 -7.260 3.577) 8.288 4.657 ( 6.859 -3.791 -9.231) 12.109 4.715 ( 2.038 -0.288 -2.518) 3.252 4.843 ( -12.433 -3.262 10.036) 16.308 5.304 ( -4.387 -3.350 -0.281) 5.527 5.611 ( -1.826 -4.857 -0.973) 5.279 5.930 ( 0.703 10.736 0.421) 10.767 6.589 ( -2.161 2.247 -0.189) 3.124 6.951 ( 1.587 16.271 -0.559) 16.358 7.275 ( -1.832 9.324 -0.560) 9.518 7.551 ( 0.390 7.969 1.174) 8.064 7.801 ( -1.999 0.759 -0.393) 2.174 8.663 ( -1.059 2.353 0.169) 2.586 9.301 ( 0.366 -6.511 -0.015) 6.521 10.180 ( 1.172 5.176 1.953) 5.655 10.745 ( -0.189 2.575 -0.888) 2.730 11.112 ( -0.485 3.934 -0.619) 4.011 11.210 ( -0.239 -7.396 -1.522) 7.554 11.739 ( -0.220 3.420 0.904) 3.544 11.826 ( -0.029 5.388 0.216) 5.392 12.279 ( 2.894 -3.824 -4.029) 6.264 12.432 ( -1.534 -10.605 4.234) 11.521 12.728 ( 1.771 -8.901 0.676) 9.101 12.883 ( -2.352 -13.875 1.215) 14.126 13.814 ( 1.091 2.370 -0.744) 2.713 13.913 ( -2.412 0.226 0.854) 2.569 14.100 ( -0.752 -2.756 4.008) 4.922 14.129 ( 0.454 -4.243 -5.026) 6.593 23.338 ( -0.148 5.309 1.207) 5.446 24.027 ( -0.865 -2.596 -0.343) 2.757 24.394 ( 1.702 -11.558 12.289) 16.956 24.484 ( 2.470 -13.135 -14.451) 19.684 25.795 ( 0.551 22.895 -1.614) 22.958 25.902 ( -4.275 21.229 2.248) 21.771 28.731 ( 2.364 -4.311 -2.551) 5.539 28.760 ( -2.074 -4.284 2.598) 5.422 ======================= Grid point 354 (176/185) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -0.000 6.063 -0.000) 6.063 2.113 ( 0.000 2.586 0.000) 2.586 2.173 ( -0.000 6.426 -0.000) 6.426 2.401 ( -0.000 -0.961 0.000) 0.961 2.953 ( -0.000 12.847 0.000) 12.847 3.059 ( 0.000 12.983 0.000) 12.983 3.411 ( -0.000 1.778 0.000) 1.778 3.594 ( -0.000 -6.876 -0.000) 6.876 3.623 ( -0.000 1.159 -0.000) 1.159 3.667 ( 0.000 5.187 0.000) 5.187 3.967 ( -0.000 9.714 0.000) 9.714 4.067 ( -0.000 16.278 0.000) 16.278 4.500 ( 0.000 -1.928 -0.000) 1.928 4.552 ( -0.000 -3.119 0.000) 3.119 4.743 ( -0.000 -10.281 0.000) 10.281 5.061 ( 0.000 -11.180 0.000) 11.180 5.823 ( 0.000 -0.368 0.000) 0.368 5.828 ( -0.000 -0.347 0.000) 0.347 5.982 ( 0.000 9.075 0.000) 9.075 6.620 ( -0.000 -12.091 0.000) 12.091 7.237 ( 0.000 18.653 0.000) 18.653 7.478 ( -0.000 3.300 0.000) 3.300 7.697 ( -0.000 10.135 0.000) 10.135 7.953 ( -0.000 -5.364 -0.000) 5.364 8.944 ( -0.000 5.144 0.000) 5.144 9.189 ( -0.000 -3.271 0.000) 3.271 10.234 ( 0.000 11.143 0.000) 11.143 10.710 ( -0.000 -4.426 0.000) 4.426 11.228 ( -0.000 10.389 0.000) 10.389 11.598 ( -0.000 7.576 -0.000) 7.576 11.630 ( 0.000 5.581 0.000) 5.581 11.748 ( -0.000 -3.512 0.000) 3.512 12.038 ( -0.000 -8.292 -0.000) 8.292 12.088 ( 0.000 -6.545 0.000) 6.545 12.634 ( 0.000 -11.307 0.000) 11.307 12.654 ( -0.000 -12.568 -0.000) 12.568 13.797 ( 0.000 1.229 0.000) 1.229 14.013 ( -0.000 -4.895 0.000) 4.895 14.311 ( 0.000 3.961 0.000) 3.961 14.324 ( -0.000 4.286 0.000) 4.286 23.334 ( -0.000 -3.424 0.000) 3.424 23.559 ( -0.000 -7.454 0.000) 7.454 24.077 ( -0.000 -1.640 0.000) 1.640 24.239 ( 0.000 -9.744 0.000) 9.744 26.346 ( -0.000 18.931 -0.000) 18.931 26.602 ( 0.000 9.692 0.000) 9.692 28.625 ( 0.000 -2.193 0.000) 2.193 28.681 ( -0.000 -3.879 0.000) 3.879 ======================= Grid point 356 (177/185) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 1.667 6.941 -5.038) 8.737 2.196 ( 8.992 5.154 -6.977) 12.494 2.374 ( 13.450 -2.312 4.784) 14.462 2.404 ( 4.908 4.246 -2.226) 6.861 2.974 ( 0.268 14.399 6.221) 15.687 3.053 ( 1.038 11.794 -5.004) 12.854 3.380 ( -3.286 3.589 2.528) 5.483 3.582 ( -0.221 -7.229 -3.735) 8.140 3.616 ( 1.218 3.029 -3.099) 4.501 3.718 ( 3.398 3.324 1.672) 5.039 3.957 ( -0.457 10.424 -2.371) 10.700 4.071 ( -0.367 14.123 3.156) 14.476 4.515 ( 1.132 -1.506 1.805) 2.609 4.553 ( 0.842 -4.266 -3.026) 5.298 4.718 ( -2.518 -8.843 0.145) 9.196 5.033 ( -3.544 -10.758 2.216) 11.541 5.753 ( -6.233 0.171 -0.988) 6.314 5.809 ( -2.296 -1.326 -1.926) 3.277 6.003 ( 1.653 9.095 0.793) 9.278 6.617 ( -0.588 -11.108 0.809) 11.153 7.238 ( 0.547 18.419 -0.993) 18.454 7.497 ( 1.412 3.481 1.981) 4.247 7.662 ( -2.569 9.294 -2.398) 9.936 7.972 ( 0.568 -3.159 2.553) 4.101 8.915 ( -2.947 4.992 -0.224) 5.801 9.180 ( -0.696 -3.841 -0.913) 4.009 10.220 ( -0.488 10.734 -1.327) 10.827 10.732 ( 2.783 -4.820 -3.411) 6.528 11.226 ( -1.667 9.342 4.574) 10.535 11.482 ( -4.140 5.956 -9.963) 12.324 11.739 ( 2.581 6.090 10.203) 12.159 11.769 ( 2.755 -2.000 0.372) 3.425 11.979 ( -0.053 -7.930 -9.501) 12.375 12.171 ( 2.677 -7.249 10.472) 13.015 12.585 ( -1.931 -10.914 -6.275) 12.737 12.678 ( -0.925 -12.602 7.011) 14.450 13.798 ( 0.218 1.229 -0.132) 1.255 14.012 ( -0.150 -5.021 0.112) 5.025 14.240 ( -5.550 4.673 -0.770) 7.296 14.318 ( -2.135 2.846 -0.496) 3.592 23.336 ( 0.221 -1.608 1.206) 2.022 23.629 ( 5.676 -8.659 5.237) 11.602 24.074 ( 0.537 -1.486 -2.576) 3.022 24.254 ( 3.544 -9.650 -7.221) 12.562 26.318 ( -3.038 18.999 0.747) 19.255 26.571 ( -3.910 10.262 1.525) 11.087 28.634 ( 0.300 -2.657 1.209) 2.935 28.676 ( -0.070 -3.633 -0.947) 3.755 ======================= Grid point 357 (178/185) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 4.847 7.681 -4.120) 9.973 2.264 ( 0.095 2.020 -2.137) 2.942 2.514 ( 15.179 6.232 -10.503) 19.482 2.732 ( 16.525 -1.283 3.935) 17.035 3.001 ( -0.758 19.728 1.868) 19.830 3.085 ( 6.413 6.256 -2.132) 9.209 3.354 ( -0.577 7.691 4.516) 8.937 3.555 ( -0.571 -6.349 -2.127) 6.720 3.644 ( 3.837 4.150 -3.354) 6.572 3.772 ( 1.363 3.061 0.633) 3.410 3.930 ( -1.021 10.039 -1.612) 10.219 4.086 ( 0.963 8.947 -0.099) 8.999 4.538 ( -3.283 -7.627 4.891) 9.637 4.551 ( 3.292 -2.408 -5.779) 7.073 4.679 ( -0.126 -3.209 -2.154) 3.867 4.967 ( -5.596 -8.830 5.395) 11.764 5.602 ( -9.375 0.260 -1.421) 9.486 5.725 ( -5.428 -2.757 -2.704) 6.661 6.045 ( 2.454 9.589 1.041) 9.952 6.606 ( -1.238 -8.547 1.231) 8.723 7.248 ( 1.327 17.797 -1.428) 17.904 7.544 ( 1.837 3.864 2.278) 4.847 7.597 ( -2.603 9.069 -1.806) 9.606 7.974 ( -2.212 0.313 2.231) 3.157 8.845 ( -4.172 4.753 -0.299) 6.331 9.161 ( -0.615 -5.574 -1.050) 5.705 10.223 ( 1.667 9.633 -0.806) 9.810 10.753 ( 2.058 -4.943 -5.646) 7.781 11.209 ( -3.688 6.374 6.533) 9.845 11.358 ( -3.793 4.910 -8.974) 10.910 11.786 ( 0.548 1.264 1.723) 2.206 11.855 ( 2.142 4.348 6.367) 8.002 11.977 ( 5.558 -8.518 -7.531) 12.656 12.270 ( 1.498 -6.738 10.729) 12.757 12.511 ( -2.473 -10.292 -4.779) 11.614 12.687 ( -1.879 -12.730 5.725) 14.084 13.805 ( 0.705 1.200 -0.375) 1.441 14.008 ( -0.548 -5.363 0.177) 5.394 14.125 ( -6.220 4.237 -0.205) 7.529 14.245 ( -4.875 1.175 -1.392) 5.204 23.363 ( 1.530 2.132 2.792) 3.832 23.794 ( 7.154 -10.418 10.345) 16.333 24.070 ( 1.571 -1.270 -6.151) 6.474 24.280 ( 4.993 -9.468 -12.425) 16.400 26.259 ( -3.600 18.885 0.766) 19.240 26.480 ( -7.149 12.045 2.866) 14.297 28.635 ( -0.318 -3.279 -0.292) 3.307 28.681 ( 0.564 -3.667 0.684) 3.772 ======================= Grid point 358 (179/185) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 4.090 6.980 -2.986) 8.623 2.233 ( -1.748 2.594 -0.777) 3.223 2.716 ( 10.311 10.149 -8.213) 16.636 2.947 ( 5.002 8.108 -0.617) 9.547 3.004 ( 2.804 15.409 1.748) 15.759 3.208 ( 4.794 0.597 -0.754) 4.889 3.470 ( 11.000 10.284 4.062) 15.596 3.544 ( -0.488 -4.152 0.806) 4.258 3.724 ( 7.565 3.757 -4.918) 9.774 3.782 ( -0.748 3.754 4.422) 5.849 3.900 ( -1.987 7.575 -1.340) 7.945 4.108 ( 3.212 4.563 -5.282) 7.684 4.492 ( -4.852 -10.118 7.416) 13.450 4.551 ( 2.020 -5.393 -11.031) 12.443 4.702 ( 2.582 1.890 -0.724) 3.280 4.893 ( -6.578 -4.797 7.657) 11.177 5.416 ( -9.616 0.378 -1.190) 9.697 5.601 ( -5.974 -4.286 -2.400) 7.734 6.099 ( 2.651 10.255 0.992) 10.638 6.587 ( -1.477 -5.509 1.074) 5.804 7.273 ( 2.182 17.308 -1.154) 17.483 7.509 ( -3.544 8.496 -2.627) 9.573 7.626 ( 3.163 5.173 3.719) 7.113 7.915 ( -4.885 2.755 0.673) 5.649 8.773 ( -3.376 4.584 -0.216) 5.697 9.151 ( 0.000 -7.673 -0.624) 7.699 10.265 ( 2.660 8.465 0.368) 8.881 10.750 ( 1.027 -4.346 -5.228) 6.876 11.166 ( -4.487 2.808 6.172) 8.131 11.254 ( -2.548 3.905 -7.631) 8.943 11.792 ( 0.091 1.614 -0.646) 1.741 11.910 ( 0.969 4.537 5.116) 6.906 12.072 ( 7.450 -8.231 -5.400) 12.346 12.309 ( -3.200 -4.820 6.898) 9.004 12.480 ( 1.300 -11.181 0.288) 11.260 12.669 ( -2.794 -12.581 3.007) 13.233 13.820 ( 1.455 1.103 -0.959) 2.062 13.974 ( -3.816 -2.845 0.380) 4.775 14.046 ( -2.011 0.254 1.295) 2.405 14.146 ( -4.561 -0.570 -2.105) 5.055 23.418 ( 2.374 6.005 3.745) 7.465 23.959 ( 2.611 -8.212 11.226) 14.152 24.079 ( 4.037 -4.283 -4.842) 7.621 24.292 ( 4.337 -9.406 -15.303) 18.478 26.208 ( -1.850 18.382 -0.273) 18.477 26.359 ( -7.624 14.293 3.740) 16.625 28.633 ( 0.684 -3.451 -1.209) 3.720 28.688 ( -0.591 -4.302 1.530) 4.604 ======================= Grid point 359 (180/185) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 1.470 5.992 -1.190) 6.283 2.207 ( -0.775 2.613 -0.075) 2.726 2.791 ( 2.314 12.431 -2.906) 12.974 2.959 ( 0.016 24.599 -1.026) 24.620 3.100 ( 3.326 3.732 1.036) 5.105 3.254 ( 1.109 3.510 0.280) 3.692 3.537 ( -0.628 -3.569 0.854) 3.723 3.677 ( 8.779 5.412 0.191) 10.315 3.765 ( 0.077 6.237 -0.654) 6.272 3.824 ( -5.126 6.577 0.554) 8.357 3.909 ( 7.985 -1.150 2.227) 8.369 4.125 ( 0.874 4.772 -5.368) 7.235 4.458 ( -2.190 -9.805 4.374) 10.957 4.537 ( 2.268 -8.198 -6.996) 11.013 4.733 ( 0.887 1.830 -0.168) 2.041 4.811 ( -5.379 -0.257 4.889) 7.273 5.277 ( -4.255 0.650 -0.542) 4.338 5.510 ( -2.520 -5.475 -0.920) 6.097 6.141 ( 1.283 10.796 0.448) 10.881 6.569 ( -0.734 -3.395 0.418) 3.498 7.313 ( 2.265 18.351 -0.295) 18.493 7.433 ( -2.994 7.810 -1.223) 8.453 7.712 ( 4.229 6.190 2.575) 7.927 7.819 ( -5.143 2.612 -0.953) 5.846 8.729 ( -1.245 4.461 -0.073) 4.632 9.150 ( 0.105 -8.906 -0.189) 8.908 10.307 ( 1.254 7.829 0.452) 7.942 10.741 ( 0.310 -3.702 -2.214) 4.325 11.127 ( -2.150 0.050 2.846) 3.568 11.193 ( -0.770 3.638 -3.375) 5.022 11.789 ( 0.034 1.803 -0.400) 1.848 11.944 ( 0.446 5.768 2.232) 6.201 12.167 ( 5.933 -9.229 -5.095) 12.097 12.254 ( -5.073 -4.382 4.288) 7.958 12.538 ( 2.958 -10.671 2.673) 11.392 12.621 ( -3.022 -12.664 -0.251) 13.022 13.848 ( 2.266 1.028 -1.558) 2.936 13.905 ( -3.672 -0.870 1.494) 4.059 14.041 ( -0.100 -2.783 1.566) 3.196 14.074 ( -1.854 -1.836 -1.999) 3.287 23.472 ( 1.302 8.650 2.059) 8.986 23.987 ( -0.402 -1.838 -0.091) 1.884 24.177 ( 2.663 -11.053 10.575) 15.528 24.267 ( 1.695 -9.310 -14.710) 17.492 26.194 ( 0.635 17.888 -1.382) 17.953 26.263 ( -4.365 15.700 2.851) 16.543 28.648 ( 1.710 -3.909 -1.371) 4.481 28.675 ( -1.707 -4.357 1.489) 4.910 ======================= Grid point 364 (181/185) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -0.000 3.178 -0.000) 3.178 2.140 ( 0.000 0.003 0.000) 0.003 2.294 ( -0.000 5.660 -0.000) 5.660 2.372 ( -0.000 -2.420 0.000) 2.420 3.182 ( -0.000 10.021 0.000) 10.021 3.240 ( -0.000 4.853 0.000) 4.853 3.447 ( 0.000 -0.575 -0.000) 0.575 3.467 ( -0.000 -5.355 0.000) 5.355 3.585 ( 0.000 0.870 -0.000) 0.870 3.672 ( -0.000 -4.142 0.000) 4.142 4.186 ( -0.000 10.718 0.000) 10.718 4.274 ( -0.000 4.069 0.000) 4.069 4.453 ( 0.000 -2.382 -0.000) 2.382 4.478 ( -0.000 -5.929 0.000) 5.929 4.678 ( -0.000 5.874 0.000) 5.874 4.854 ( 0.000 -10.492 0.000) 10.492 5.820 ( 0.000 0.049 0.000) 0.049 5.823 ( -0.000 -0.211 0.000) 0.211 6.175 ( 0.000 10.881 0.000) 10.881 6.392 ( -0.000 -11.686 0.000) 11.686 7.504 ( -0.000 7.664 0.000) 7.664 7.537 ( -0.000 2.203 0.000) 2.203 7.835 ( -0.000 3.847 0.000) 3.847 7.875 ( -0.000 -2.253 -0.000) 2.253 9.042 ( -0.000 4.893 0.000) 4.893 9.125 ( -0.000 -3.741 0.000) 3.741 10.433 ( 0.000 9.599 0.000) 9.599 10.596 ( -0.000 -7.326 0.000) 7.326 11.429 ( -0.000 10.237 0.000) 10.237 11.602 ( -0.000 -7.081 0.000) 7.081 11.736 ( 0.000 5.751 -0.000) 5.751 11.785 ( -0.000 5.852 0.000) 5.852 11.889 ( -0.000 -5.860 0.000) 5.860 11.956 ( 0.000 -7.162 0.000) 7.162 12.475 ( 0.000 -4.546 0.000) 4.546 12.478 ( -0.000 -5.003 -0.000) 5.003 13.839 ( 0.000 3.203 0.000) 3.203 13.916 ( -0.000 -4.784 0.000) 4.784 14.370 ( 0.000 1.894 0.000) 1.894 14.377 ( -0.000 1.182 0.000) 1.182 23.330 ( -0.000 2.695 0.000) 2.695 23.422 ( -0.000 -6.469 0.000) 6.469 24.064 ( -0.000 0.519 0.000) 0.519 24.107 ( 0.000 -4.268 0.000) 4.268 26.622 ( -0.000 9.592 0.000) 9.592 26.706 ( -0.000 0.778 0.000) 0.778 28.599 ( 0.000 -0.293 0.000) 0.293 28.619 ( -0.000 -2.334 0.000) 2.334 ======================= Grid point 366 (182/185) ======================= q-point: ( 0.11 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 2.725 6.379 -1.853) 7.180 2.219 ( 3.828 -3.610 1.853) 5.579 2.382 ( 11.039 4.151 -5.627) 13.068 2.445 ( 9.773 -0.968 -1.057) 9.878 3.190 ( 2.256 8.043 -6.351) 10.493 3.240 ( 1.275 5.517 -2.127) 6.049 3.451 ( 0.316 -1.345 1.072) 1.749 3.466 ( -1.147 -0.390 5.870) 5.993 3.597 ( 1.530 0.314 -0.916) 1.810 3.695 ( 1.620 -5.439 1.385) 5.842 4.180 ( -1.117 11.052 0.532) 11.121 4.275 ( -0.213 5.249 0.336) 5.264 4.441 ( -0.043 -5.788 -10.239) 11.761 4.460 ( -1.720 -4.675 5.065) 7.104 4.683 ( 0.407 5.495 1.035) 5.606 4.839 ( -2.238 -9.528 3.045) 10.250 5.764 ( -5.303 0.914 -1.406) 5.562 5.785 ( -3.844 -1.185 -1.649) 4.347 6.193 ( 1.556 10.661 0.984) 10.819 6.403 ( 0.848 -11.169 1.100) 11.255 7.492 ( -0.316 7.370 -1.652) 7.559 7.551 ( 0.799 0.820 0.717) 1.351 7.812 ( -0.854 7.092 -0.737) 7.181 7.917 ( 1.911 -3.391 3.397) 5.166 9.013 ( -2.920 5.090 -0.379) 5.881 9.104 ( -2.031 -4.334 -0.690) 4.836 10.423 ( 0.320 10.298 -3.610) 10.917 10.604 ( 1.856 -8.327 -4.235) 9.524 11.411 ( -3.504 9.363 4.729) 11.059 11.540 ( -5.813 -2.043 -0.140) 6.163 11.739 ( 3.803 1.346 -7.582) 8.589 11.821 ( 2.622 -4.777 -9.214) 10.705 11.885 ( 1.186 5.227 7.652) 9.343 12.025 ( 2.186 -7.915 10.666) 13.460 12.448 ( -1.462 -2.613 -1.798) 3.493 12.489 ( -0.882 -6.513 3.850) 7.617 13.839 ( 0.055 3.108 0.004) 3.108 13.915 ( -0.158 -4.720 0.033) 4.723 14.315 ( -5.135 2.917 -0.278) 5.912 14.345 ( -3.887 -0.102 -0.096) 3.889 23.360 ( 2.696 3.874 2.179) 5.199 23.472 ( 4.332 -7.440 3.418) 9.263 24.068 ( 1.540 0.953 -4.011) 4.401 24.119 ( 2.875 -4.621 -5.842) 7.985 26.597 ( -2.933 9.751 1.074) 10.239 26.682 ( -3.117 0.904 1.617) 3.626 28.601 ( -0.128 -0.530 0.611) 0.819 28.617 ( -0.063 -2.178 -0.057) 2.179 ======================= Grid point 367 (183/185) ======================= q-point: ( 0.22 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 2.863 6.391 -0.451) 7.017 2.258 ( 0.160 -2.786 1.046) 2.980 2.610 ( 17.073 4.896 -7.443) 19.258 2.697 ( 16.522 -3.379 -2.168) 17.002 3.189 ( 2.219 6.290 -6.780) 9.511 3.274 ( 3.908 2.586 -4.339) 6.387 3.483 ( 0.666 4.068 6.384) 7.599 3.504 ( 3.207 5.698 4.174) 7.757 3.636 ( 4.250 -1.854 -2.996) 5.520 3.729 ( 1.139 -7.186 1.057) 7.352 4.145 ( -4.116 11.039 4.373) 12.567 4.260 ( -0.356 7.856 -4.016) 8.830 4.363 ( -5.351 -8.384 2.104) 10.166 4.449 ( 1.247 -7.746 -9.676) 12.457 4.713 ( 2.038 4.847 2.179) 5.692 4.823 ( -1.751 -6.423 5.548) 8.666 5.626 ( -8.529 2.026 -2.203) 9.039 5.672 ( -7.082 -2.674 -2.491) 7.969 6.236 ( 2.345 10.244 1.505) 10.616 6.430 ( 1.104 -9.803 1.719) 10.014 7.484 ( 0.524 7.219 -1.685) 7.431 7.567 ( 0.927 -1.710 -0.397) 1.985 7.802 ( -0.628 11.292 1.154) 11.368 7.953 ( -0.264 -3.780 3.203) 4.962 8.944 ( -4.042 5.484 -0.581) 6.838 9.052 ( -2.814 -5.769 -0.922) 6.484 10.419 ( 1.932 10.596 -4.670) 11.740 10.613 ( 2.300 -9.164 -6.490) 11.463 11.348 ( -6.422 6.975 5.580) 11.002 11.421 ( -6.303 0.392 -1.850) 6.580 11.778 ( 3.475 -0.711 -4.948) 6.088 11.820 ( 3.915 -5.762 -9.104) 11.464 11.976 ( 2.695 7.006 9.270) 11.928 12.126 ( 2.363 -8.266 10.860) 13.851 12.405 ( -2.440 -0.175 -1.102) 2.683 12.485 ( -1.657 -7.918 3.198) 8.698 13.842 ( 0.320 2.775 -0.192) 2.800 13.911 ( -0.253 -4.456 -0.071) 4.464 14.199 ( -7.058 3.311 -0.026) 7.796 14.245 ( -6.598 -1.308 -0.319) 6.734 23.447 ( 4.663 6.514 4.524) 9.200 23.602 ( 6.465 -9.418 6.949) 13.372 24.074 ( 2.542 1.760 -7.898) 8.481 24.140 ( 4.041 -5.284 -10.254) 12.223 26.537 ( -4.128 9.727 1.621) 10.690 26.616 ( -5.261 1.678 2.793) 6.189 28.597 ( -0.417 -0.468 0.179) 0.652 28.619 ( -0.065 -2.493 0.546) 2.553 ======================= Grid point 368 (184/185) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 1.322 4.214 -0.213) 4.422 2.251 ( -1.103 -0.727 0.493) 1.410 2.863 ( 13.214 5.817 -6.161) 15.698 2.950 ( 11.577 -2.915 -1.708) 12.059 3.221 ( 4.546 6.102 -3.482) 8.369 3.323 ( 2.791 0.112 -1.264) 3.066 3.518 ( -0.134 10.082 5.839) 11.652 3.641 ( 9.309 5.634 -0.881) 10.916 3.714 ( 5.146 -3.152 -1.620) 6.249 3.751 ( 2.283 -7.243 -2.515) 7.999 4.087 ( -5.634 10.647 7.949) 14.432 4.230 ( 1.460 8.279 -9.313) 12.546 4.290 ( -5.362 -10.623 8.737) 14.763 4.404 ( 0.550 -9.196 -11.114) 14.435 4.764 ( 1.612 3.742 1.890) 4.492 4.827 ( -1.434 -2.885 4.645) 5.653 5.451 ( -8.785 2.975 -1.976) 9.484 5.520 ( -7.524 -4.070 -2.287) 8.855 6.289 ( 2.429 9.529 1.434) 9.937 6.457 ( 0.871 -7.911 1.570) 8.113 7.495 ( 1.525 6.892 -1.297) 7.177 7.580 ( 0.871 -1.832 -1.347) 2.435 7.796 ( -0.988 11.494 2.192) 11.743 7.937 ( -2.973 -2.267 1.950) 4.217 8.873 ( -3.142 5.969 -0.452) 6.761 9.003 ( -1.979 -7.509 -0.627) 7.791 10.441 ( 2.659 9.617 -3.583) 10.602 10.619 ( 2.056 -8.593 -5.852) 10.598 11.254 ( -6.324 5.080 4.078) 9.078 11.306 ( -5.033 0.450 -1.407) 5.245 11.801 ( 2.212 0.269 -4.688) 5.190 11.861 ( 3.567 -6.591 -3.750) 8.380 12.072 ( 2.993 6.878 7.147) 10.361 12.220 ( 1.664 -7.315 9.590) 12.176 12.352 ( -2.285 0.927 -1.569) 2.923 12.461 ( -2.310 -8.886 0.908) 9.226 13.849 ( 0.745 2.067 -0.719) 2.312 13.903 ( -0.679 -3.564 -0.252) 3.637 14.081 ( -5.576 2.393 0.646) 6.102 14.123 ( -6.052 -1.813 -0.299) 6.324 23.565 ( 4.824 9.228 6.075) 12.055 23.761 ( 5.609 -10.926 9.516) 15.537 24.070 ( 2.166 2.140 -9.431) 9.910 24.147 ( 3.190 -5.815 -12.250) 13.930 26.476 ( -3.147 8.974 1.215) 9.587 26.533 ( -5.285 3.285 3.012) 6.914 28.592 ( -0.023 -0.481 -0.185) 0.516 28.617 ( -0.551 -2.837 0.704) 2.975 ======================= Grid point 369 (185/185) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 0.288 2.465 -0.193) 2.489 2.234 ( -0.724 0.343 0.183) 0.822 2.992 ( 3.880 8.030 -2.438) 9.246 3.088 ( 4.195 -1.992 -0.687) 4.695 3.298 ( 4.802 4.747 -2.700) 7.272 3.344 ( -1.157 3.409 2.332) 4.289 3.543 ( 0.151 9.539 2.534) 9.871 3.734 ( 1.240 -1.705 3.468) 4.059 3.773 ( 2.557 -1.247 -8.951) 9.392 3.825 ( 4.958 -5.169 0.481) 7.179 4.040 ( -2.869 11.592 4.691) 12.830 4.216 ( 0.560 0.888 -3.469) 3.625 4.277 ( -0.306 -5.349 3.551) 6.428 4.375 ( 1.178 -8.010 -4.466) 9.247 4.777 ( -0.515 2.405 0.626) 2.538 4.808 ( -2.007 -0.644 1.752) 2.741 5.322 ( -3.775 3.697 -0.792) 5.343 5.408 ( -3.209 -5.088 -0.891) 6.081 6.330 ( 1.138 8.778 0.616) 8.873 6.475 ( 0.317 -6.336 0.638) 6.376 7.522 ( 1.585 5.714 -0.463) 5.948 7.578 ( -0.379 1.947 -0.901) 2.179 7.800 ( 0.393 6.877 1.374) 7.024 7.883 ( -2.797 0.478 0.424) 2.869 8.832 ( -1.126 6.376 -0.154) 6.476 8.977 ( -0.644 -8.713 -0.192) 8.739 10.466 ( 1.285 8.542 -1.331) 8.740 10.623 ( 0.887 -7.676 -2.436) 8.102 11.183 ( -2.680 4.404 1.496) 5.368 11.235 ( -1.998 -0.049 -0.319) 2.024 11.811 ( 0.808 1.298 -1.694) 2.282 11.893 ( 1.332 -7.760 -1.246) 7.972 12.157 ( 2.769 7.166 4.104) 8.710 12.248 ( -2.283 1.996 1.001) 3.193 12.347 ( 2.086 -7.487 3.029) 8.341 12.411 ( -2.706 -9.239 -2.210) 9.877 13.861 ( 1.227 0.761 -1.141) 1.840 13.883 ( -1.472 -1.343 0.396) 2.032 14.018 ( -1.686 0.376 0.584) 1.823 14.041 ( -2.534 -1.645 -0.107) 3.023 23.663 ( 2.279 11.097 3.625) 11.894 23.880 ( 2.090 -10.601 5.904) 12.313 24.060 ( 1.023 0.506 -3.944) 4.106 24.125 ( 0.907 -5.588 -8.062) 9.851 26.445 ( -0.590 7.647 -0.033) 7.670 26.469 ( -2.799 5.140 1.806) 6.125 28.596 ( 0.544 -1.246 -0.365) 1.408 28.607 ( -0.802 -2.336 0.540) 2.528 =================== 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 3/31104 10.0 990.185 914.799 1147.223 0.000 -148.180 0.000 3/31104 20.0 199.190 198.726 178.692 0.000 -20.692 0.000 3/31104 30.0 79.065 83.629 65.323 0.000 -7.187 0.000 3/31104 40.0 45.762 50.575 36.534 0.000 -3.767 0.000 3/31104 50.0 31.265 35.688 24.601 0.000 -2.418 0.000 3/31104 60.0 23.382 27.329 18.286 0.000 -1.742 0.000 3/31104 70.0 18.515 22.036 14.443 0.000 -1.350 0.000 3/31104 80.0 15.249 18.413 11.885 0.000 -1.097 0.000 3/31104 90.0 12.924 15.793 10.073 0.000 -0.922 0.000 3/31104 100.0 11.195 13.818 8.729 0.000 -0.795 0.000 3/31104 110.0 9.865 12.280 7.698 0.000 -0.698 0.000 3/31104 120.0 8.813 11.051 6.885 0.000 -0.623 0.000 3/31104 130.0 7.962 10.049 6.228 0.000 -0.562 0.000 3/31104 140.0 7.261 9.217 5.689 0.000 -0.512 0.000 3/31104 150.0 6.675 8.515 5.239 0.000 -0.471 0.000 3/31104 160.0 6.178 7.917 4.858 0.000 -0.436 0.000 3/31104 170.0 5.752 7.400 4.532 0.000 -0.406 0.000 3/31104 180.0 5.382 6.949 4.251 0.000 -0.380 0.000 3/31104 190.0 5.059 6.553 4.005 0.000 -0.358 0.000 3/31104 200.0 4.774 6.202 3.788 0.000 -0.338 0.000 3/31104 210.0 4.521 5.889 3.597 0.000 -0.320 0.000 3/31104 220.0 4.294 5.608 3.425 0.000 -0.304 0.000 3/31104 230.0 4.091 5.354 3.271 0.000 -0.290 0.000 3/31104 240.0 3.906 5.124 3.132 0.000 -0.278 0.000 3/31104 250.0 3.739 4.914 3.006 0.000 -0.266 0.000 3/31104 260.0 3.586 4.721 2.890 0.000 -0.255 0.000 3/31104 270.0 3.446 4.544 2.784 0.000 -0.246 0.000 3/31104 280.0 3.317 4.380 2.687 0.000 -0.237 0.000 3/31104 290.0 3.197 4.229 2.596 0.000 -0.229 0.000 3/31104 300.0 3.087 4.088 2.513 0.000 -0.221 0.000 3/31104 310.0 2.984 3.957 2.434 0.000 -0.214 0.000 3/31104 320.0 2.888 3.834 2.361 0.000 -0.207 0.000 3/31104 330.0 2.798 3.719 2.293 0.000 -0.201 0.000 3/31104 340.0 2.714 3.611 2.229 0.000 -0.195 0.000 3/31104 350.0 2.635 3.510 2.168 0.000 -0.190 0.000 3/31104 360.0 2.561 3.414 2.111 0.000 -0.184 0.000 3/31104 370.0 2.491 3.324 2.058 0.000 -0.180 0.000 3/31104 380.0 2.425 3.238 2.006 0.000 -0.175 0.000 3/31104 390.0 2.362 3.157 1.958 0.000 -0.171 0.000 3/31104 400.0 2.303 3.080 1.912 0.000 -0.166 0.000 3/31104 410.0 2.246 3.006 1.868 0.000 -0.162 0.000 3/31104 420.0 2.193 2.936 1.826 0.000 -0.159 0.000 3/31104 430.0 2.142 2.870 1.786 0.000 -0.155 0.000 3/31104 440.0 2.093 2.806 1.748 0.000 -0.152 0.000 3/31104 450.0 2.047 2.745 1.711 0.000 -0.148 0.000 3/31104 460.0 2.002 2.687 1.676 0.000 -0.145 0.000 3/31104 470.0 1.960 2.631 1.643 0.000 -0.142 0.000 3/31104 480.0 1.919 2.578 1.611 0.000 -0.139 0.000 3/31104 490.0 1.880 2.527 1.580 0.000 -0.137 0.000 3/31104 500.0 1.843 2.477 1.550 0.000 -0.134 0.000 3/31104 510.0 1.807 2.430 1.521 0.000 -0.132 0.000 3/31104 520.0 1.772 2.385 1.494 0.000 -0.129 0.000 3/31104 530.0 1.739 2.341 1.467 0.000 -0.127 0.000 3/31104 540.0 1.707 2.298 1.441 0.000 -0.124 0.000 3/31104 550.0 1.676 2.258 1.416 0.000 -0.122 0.000 3/31104 560.0 1.646 2.218 1.393 0.000 -0.120 0.000 3/31104 570.0 1.618 2.180 1.369 0.000 -0.118 0.000 3/31104 580.0 1.590 2.144 1.347 0.000 -0.116 0.000 3/31104 590.0 1.563 2.108 1.325 0.000 -0.114 0.000 3/31104 600.0 1.537 2.074 1.304 0.000 -0.112 0.000 3/31104 610.0 1.512 2.041 1.284 0.000 -0.111 0.000 3/31104 620.0 1.488 2.008 1.264 0.000 -0.109 0.000 3/31104 630.0 1.465 1.977 1.245 0.000 -0.107 0.000 3/31104 640.0 1.442 1.947 1.227 0.000 -0.106 0.000 3/31104 650.0 1.420 1.918 1.209 0.000 -0.104 0.000 3/31104 660.0 1.399 1.889 1.191 0.000 -0.102 0.000 3/31104 670.0 1.378 1.862 1.174 0.000 -0.101 0.000 3/31104 680.0 1.358 1.835 1.158 0.000 -0.099 0.000 3/31104 690.0 1.338 1.809 1.142 0.000 -0.098 0.000 3/31104 700.0 1.319 1.784 1.126 0.000 -0.097 0.000 3/31104 710.0 1.301 1.759 1.111 0.000 -0.095 0.000 3/31104 720.0 1.283 1.735 1.096 0.000 -0.094 0.000 3/31104 730.0 1.266 1.712 1.082 0.000 -0.093 0.000 3/31104 740.0 1.249 1.689 1.067 0.000 -0.092 0.000 3/31104 750.0 1.232 1.667 1.054 0.000 -0.090 0.000 3/31104 760.0 1.216 1.645 1.040 0.000 -0.089 0.000 3/31104 770.0 1.200 1.624 1.027 0.000 -0.088 0.000 3/31104 780.0 1.185 1.604 1.015 0.000 -0.087 0.000 3/31104 790.0 1.170 1.584 1.002 0.000 -0.086 0.000 3/31104 800.0 1.156 1.565 0.990 0.000 -0.085 0.000 3/31104 810.0 1.142 1.546 0.979 0.000 -0.084 0.000 3/31104 820.0 1.128 1.527 0.967 0.000 -0.083 0.000 3/31104 830.0 1.114 1.509 0.956 0.000 -0.082 0.000 3/31104 840.0 1.101 1.491 0.945 0.000 -0.081 0.000 3/31104 850.0 1.088 1.474 0.934 0.000 -0.080 0.000 3/31104 860.0 1.076 1.457 0.923 0.000 -0.079 0.000 3/31104 870.0 1.063 1.441 0.913 0.000 -0.078 0.000 3/31104 880.0 1.051 1.425 0.903 0.000 -0.077 0.000 3/31104 890.0 1.040 1.409 0.893 0.000 -0.077 0.000 3/31104 900.0 1.028 1.393 0.884 0.000 -0.076 0.000 3/31104 910.0 1.017 1.378 0.874 0.000 -0.075 0.000 3/31104 920.0 1.006 1.364 0.865 0.000 -0.074 0.000 3/31104 930.0 0.995 1.349 0.856 0.000 -0.073 0.000 3/31104 940.0 0.985 1.335 0.847 0.000 -0.073 0.000 3/31104 950.0 0.974 1.321 0.838 0.000 -0.072 0.000 3/31104 960.0 0.964 1.308 0.830 0.000 -0.071 0.000 3/31104 970.0 0.955 1.294 0.822 0.000 -0.070 0.000 3/31104 980.0 0.945 1.281 0.813 0.000 -0.070 0.000 3/31104 990.0 0.935 1.268 0.805 0.000 -0.069 0.000 3/31104 1000.0 0.926 1.256 0.798 0.000 -0.068 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m998.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:49:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|