----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:24:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.897912680010924 -2.086803424999998 0.000000000000000 b 11.897912680010924 2.086803424999998 0.000000000000000 c -2.635491289766844 0.000000000000000 10.957321311838012 Atomic positions (fractional): *1 Tb 0.83551546603386 0.83551546603386 0.60941156963357 158.925 2 Tb 0.16448453396614 0.16448453396614 0.39058843036643 158.925 *3 Tb 0.40934271114033 0.40934271114033 0.86296063398203 158.925 4 Tb 0.59065728885967 0.59065728885967 0.13703936601797 158.925 *5 Tb 0.21515352004159 0.21515352004159 0.12909345112428 158.925 6 Tb 0.78484647995841 0.78484647995841 0.87090654887572 158.925 *7 Cs 0.93482528974465 0.93482528974465 0.30084800794741 132.905 8 Cs 0.06517471025535 0.06517471025535 0.69915199205259 132.905 *9 Te 0.33639227542040 0.33639227542040 0.05978049326121 127.600 10 Te 0.66360772457960 0.66360772457960 0.94021950673879 127.600 *11 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 *12 Te 0.24127514288964 0.24127514288964 0.66198741992430 127.600 *13 Te 0.42501383976975 0.42501383976975 0.59394524816587 127.600 14 Te 0.57498616023025 0.57498616023025 0.40605475183413 127.600 15 Te 0.75872485711036 0.75872485711036 0.33801258007570 127.600 *16 N 0.86339679227805 0.86339679227805 0.80612212279393 14.007 17 N 0.13660320772195 0.13660320772195 0.19387787720607 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 23.795825360021848 0.000000000000000 0.000000000000000 b 0.000000000000000 4.173606849999997 0.000000000000000 c -2.635491289766844 0.000000000000000 10.957321311838012 Atomic positions (fractional): *1 Tb 0.83551546603386 0.00000000000000 0.60941156963357 158.925 > 1 2 Tb 0.66448453396614 0.50000000000000 0.39058843036643 158.925 > 2 *3 Tb 0.90934271114033 0.50000000000000 0.86296063398203 158.925 > 3 4 Tb 0.59065728885967 0.00000000000000 0.13703936601797 158.925 > 4 *5 Tb 0.71515352004159 0.50000000000000 0.12909345112428 158.925 > 5 6 Tb 0.78484647995841 0.00000000000000 0.87090654887572 158.925 > 6 7 Tb 0.33551546603386 0.50000000000000 0.60941156963357 158.925 > 1 8 Tb 0.16448453396614 0.00000000000000 0.39058843036643 158.925 > 2 9 Tb 0.40934271114033 0.00000000000000 0.86296063398203 158.925 > 3 10 Tb 0.09065728885967 0.50000000000000 0.13703936601797 158.925 > 4 11 Tb 0.21515352004159 0.00000000000000 0.12909345112428 158.925 > 5 12 Tb 0.28484647995841 0.50000000000000 0.87090654887572 158.925 > 6 *13 Cs 0.93482528974465 0.00000000000000 0.30084800794741 132.905 > 7 14 Cs 0.56517471025535 0.50000000000000 0.69915199205259 132.905 > 8 15 Cs 0.43482528974465 0.50000000000000 0.30084800794741 132.905 > 7 16 Cs 0.06517471025535 0.00000000000000 0.69915199205259 132.905 > 8 *17 Te 0.83639227542040 0.50000000000000 0.05978049326121 127.600 > 9 18 Te 0.66360772457960 0.00000000000000 0.94021950673879 127.600 > 10 *19 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 11 *20 Te 0.74127514288964 0.50000000000000 0.66198741992430 127.600 > 12 *21 Te 0.92501383976975 0.50000000000000 0.59394524816587 127.600 > 13 22 Te 0.57498616023025 0.00000000000000 0.40605475183413 127.600 > 14 23 Te 0.75872485711036 0.00000000000000 0.33801258007570 127.600 > 15 24 Te 0.33639227542040 0.00000000000000 0.05978049326121 127.600 > 9 25 Te 0.16360772457960 0.50000000000000 0.94021950673879 127.600 > 10 26 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 11 27 Te 0.24127514288964 0.00000000000000 0.66198741992430 127.600 > 12 28 Te 0.42501383976975 0.00000000000000 0.59394524816587 127.600 > 13 29 Te 0.07498616023025 0.50000000000000 0.40605475183413 127.600 > 14 30 Te 0.25872485711036 0.50000000000000 0.33801258007570 127.600 > 15 *31 N 0.86339679227805 0.00000000000000 0.80612212279393 14.007 > 16 32 N 0.63660320772195 0.50000000000000 0.19387787720607 14.007 > 17 33 N 0.36339679227805 0.50000000000000 0.80612212279393 14.007 > 16 34 N 0.13660320772195 0.00000000000000 0.19387787720607 14.007 > 17 -------------------------------- super cell -------------------------------- Lattice vectors: a 23.795825360021848 0.000000000000000 0.000000000000000 b 0.000000000000000 12.520820549999991 0.000000000000000 c -2.635491289766844 0.000000000000000 10.957321311838012 Atomic positions (fractional): *1 Tb 0.83551546603386 0.00000000000000 0.60941156963357 158.925 > 1 2 Tb 0.83551546603386 0.33333333333333 0.60941156963357 158.925 > 1 3 Tb 0.83551546603386 0.66666666666667 0.60941156963357 158.925 > 1 4 Tb 0.66448453396614 0.16666666666667 0.39058843036643 158.925 > 2 5 Tb 0.66448453396614 0.50000000000000 0.39058843036643 158.925 > 2 6 Tb 0.66448453396614 0.83333333333333 0.39058843036643 158.925 > 2 *7 Tb 0.90934271114033 0.16666666666667 0.86296063398203 158.925 > 3 8 Tb 0.90934271114033 0.50000000000000 0.86296063398203 158.925 > 3 9 Tb 0.90934271114033 0.83333333333333 0.86296063398203 158.925 > 3 10 Tb 0.59065728885967 0.00000000000000 0.13703936601797 158.925 > 4 11 Tb 0.59065728885967 0.33333333333333 0.13703936601797 158.925 > 4 12 Tb 0.59065728885967 0.66666666666667 0.13703936601797 158.925 > 4 *13 Tb 0.71515352004159 0.16666666666667 0.12909345112428 158.925 > 5 14 Tb 0.71515352004159 0.50000000000000 0.12909345112428 158.925 > 5 15 Tb 0.71515352004159 0.83333333333333 0.12909345112428 158.925 > 5 16 Tb 0.78484647995841 0.00000000000000 0.87090654887572 158.925 > 6 17 Tb 0.78484647995841 0.33333333333333 0.87090654887572 158.925 > 6 18 Tb 0.78484647995841 0.66666666666667 0.87090654887572 158.925 > 6 19 Tb 0.33551546603386 0.16666666666667 0.60941156963357 158.925 > 1 20 Tb 0.33551546603386 0.50000000000000 0.60941156963357 158.925 > 1 21 Tb 0.33551546603386 0.83333333333333 0.60941156963357 158.925 > 1 22 Tb 0.16448453396614 0.00000000000000 0.39058843036643 158.925 > 2 23 Tb 0.16448453396614 0.33333333333333 0.39058843036643 158.925 > 2 24 Tb 0.16448453396614 0.66666666666667 0.39058843036643 158.925 > 2 25 Tb 0.40934271114033 0.00000000000000 0.86296063398203 158.925 > 3 26 Tb 0.40934271114033 0.33333333333333 0.86296063398203 158.925 > 3 27 Tb 0.40934271114033 0.66666666666667 0.86296063398203 158.925 > 3 28 Tb 0.09065728885967 0.16666666666667 0.13703936601797 158.925 > 4 29 Tb 0.09065728885967 0.50000000000000 0.13703936601797 158.925 > 4 30 Tb 0.09065728885967 0.83333333333333 0.13703936601797 158.925 > 4 31 Tb 0.21515352004159 0.00000000000000 0.12909345112428 158.925 > 5 32 Tb 0.21515352004159 0.33333333333333 0.12909345112428 158.925 > 5 33 Tb 0.21515352004159 0.66666666666667 0.12909345112428 158.925 > 5 34 Tb 0.28484647995841 0.16666666666667 0.87090654887572 158.925 > 6 35 Tb 0.28484647995841 0.50000000000000 0.87090654887572 158.925 > 6 36 Tb 0.28484647995841 0.83333333333333 0.87090654887572 158.925 > 6 *37 Cs 0.93482528974465 0.00000000000000 0.30084800794741 132.905 > 7 38 Cs 0.93482528974465 0.33333333333333 0.30084800794741 132.905 > 7 39 Cs 0.93482528974465 0.66666666666667 0.30084800794741 132.905 > 7 40 Cs 0.56517471025535 0.16666666666667 0.69915199205259 132.905 > 8 41 Cs 0.56517471025535 0.50000000000000 0.69915199205259 132.905 > 8 42 Cs 0.56517471025535 0.83333333333333 0.69915199205259 132.905 > 8 43 Cs 0.43482528974465 0.16666666666667 0.30084800794741 132.905 > 7 44 Cs 0.43482528974465 0.50000000000000 0.30084800794741 132.905 > 7 45 Cs 0.43482528974465 0.83333333333333 0.30084800794741 132.905 > 7 46 Cs 0.06517471025535 0.00000000000000 0.69915199205259 132.905 > 8 47 Cs 0.06517471025535 0.33333333333333 0.69915199205259 132.905 > 8 48 Cs 0.06517471025535 0.66666666666667 0.69915199205259 132.905 > 8 *49 Te 0.83639227542040 0.16666666666667 0.05978049326121 127.600 > 9 50 Te 0.83639227542040 0.50000000000000 0.05978049326121 127.600 > 9 51 Te 0.83639227542040 0.83333333333333 0.05978049326121 127.600 > 9 52 Te 0.66360772457960 0.00000000000000 0.94021950673879 127.600 > 10 53 Te 0.66360772457960 0.33333333333333 0.94021950673879 127.600 > 10 54 Te 0.66360772457960 0.66666666666667 0.94021950673879 127.600 > 10 *55 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 11 56 Te 0.00000000000000 0.33333333333333 0.00000000000000 127.600 > 11 57 Te 0.00000000000000 0.66666666666667 0.00000000000000 127.600 > 11 *58 Te 0.74127514288964 0.16666666666667 0.66198741992430 127.600 > 12 59 Te 0.74127514288964 0.50000000000000 0.66198741992430 127.600 > 12 60 Te 0.74127514288964 0.83333333333333 0.66198741992430 127.600 > 12 *61 Te 0.92501383976975 0.16666666666667 0.59394524816587 127.600 > 13 62 Te 0.92501383976975 0.50000000000000 0.59394524816587 127.600 > 13 63 Te 0.92501383976975 0.83333333333333 0.59394524816587 127.600 > 13 64 Te 0.57498616023025 0.00000000000000 0.40605475183413 127.600 > 14 65 Te 0.57498616023025 0.33333333333333 0.40605475183413 127.600 > 14 66 Te 0.57498616023025 0.66666666666667 0.40605475183413 127.600 > 14 67 Te 0.75872485711036 0.00000000000000 0.33801258007570 127.600 > 15 68 Te 0.75872485711036 0.33333333333333 0.33801258007570 127.600 > 15 69 Te 0.75872485711036 0.66666666666667 0.33801258007570 127.600 > 15 70 Te 0.33639227542040 0.00000000000000 0.05978049326121 127.600 > 9 71 Te 0.33639227542040 0.33333333333333 0.05978049326121 127.600 > 9 72 Te 0.33639227542040 0.66666666666667 0.05978049326121 127.600 > 9 73 Te 0.16360772457960 0.16666666666667 0.94021950673879 127.600 > 10 74 Te 0.16360772457960 0.50000000000000 0.94021950673879 127.600 > 10 75 Te 0.16360772457960 0.83333333333333 0.94021950673879 127.600 > 10 76 Te 0.50000000000000 0.16666666666667 0.00000000000000 127.600 > 11 77 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 11 78 Te 0.50000000000000 0.83333333333333 0.00000000000000 127.600 > 11 79 Te 0.24127514288964 0.00000000000000 0.66198741992430 127.600 > 12 80 Te 0.24127514288964 0.33333333333333 0.66198741992430 127.600 > 12 81 Te 0.24127514288964 0.66666666666667 0.66198741992430 127.600 > 12 82 Te 0.42501383976975 0.00000000000000 0.59394524816587 127.600 > 13 83 Te 0.42501383976975 0.33333333333333 0.59394524816587 127.600 > 13 84 Te 0.42501383976975 0.66666666666667 0.59394524816587 127.600 > 13 85 Te 0.07498616023025 0.16666666666667 0.40605475183413 127.600 > 14 86 Te 0.07498616023025 0.50000000000000 0.40605475183413 127.600 > 14 87 Te 0.07498616023025 0.83333333333333 0.40605475183413 127.600 > 14 88 Te 0.25872485711036 0.16666666666667 0.33801258007570 127.600 > 15 89 Te 0.25872485711036 0.50000000000000 0.33801258007570 127.600 > 15 90 Te 0.25872485711036 0.83333333333333 0.33801258007570 127.600 > 15 *91 N 0.86339679227805 0.00000000000000 0.80612212279393 14.007 > 16 92 N 0.86339679227805 0.33333333333333 0.80612212279393 14.007 > 16 93 N 0.86339679227805 0.66666666666667 0.80612212279393 14.007 > 16 94 N 0.63660320772195 0.16666666666667 0.19387787720607 14.007 > 17 95 N 0.63660320772195 0.50000000000000 0.19387787720607 14.007 > 17 96 N 0.63660320772195 0.83333333333333 0.19387787720607 14.007 > 17 97 N 0.36339679227805 0.16666666666667 0.80612212279393 14.007 > 16 98 N 0.36339679227805 0.50000000000000 0.80612212279393 14.007 > 16 99 N 0.36339679227805 0.83333333333333 0.80612212279393 14.007 > 16 100 N 0.13660320772195 0.00000000000000 0.19387787720607 14.007 > 17 101 N 0.13660320772195 0.33333333333333 0.19387787720607 14.007 > 17 102 N 0.13660320772195 0.66666666666667 0.19387787720607 14.007 > 17 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7453595 0.0000000 -0.1840218 0.0000000 13.5282674 0.0000000 -0.1840425 0.0000000 7.4204849 -------------------------- Born effective charges -------------------------- 1 Tb 2.4787736 0.0000000 0.2045971 0.0000000 5.6611205 0.0000000 0.4358223 0.0000000 3.8567227 2 Tb 2.4787736 0.0000000 0.2045971 0.0000000 5.6611205 0.0000000 0.4358223 0.0000000 3.8567227 3 Tb 3.3976563 0.0000000 0.4984896 0.0000000 5.1363367 0.0000000 0.6379781 0.0000000 3.0958588 4 Tb 3.3976563 0.0000000 0.4984896 0.0000000 5.1363367 0.0000000 0.6379781 0.0000000 3.0958588 5 Tb 3.0045514 0.0000000 -1.0272801 0.0000000 5.8364024 0.0000000 -1.3303526 0.0000000 3.6652250 6 Tb 3.0045514 0.0000000 -1.0272801 0.0000000 5.8364024 0.0000000 -1.3303526 0.0000000 3.6652250 7 Cs 1.7539714 0.0000000 -0.0236533 0.0000000 1.2738375 0.0000000 0.0164679 0.0000000 1.6736772 8 Cs 1.7539714 0.0000000 -0.0236533 0.0000000 1.2738375 0.0000000 0.0164679 0.0000000 1.6736772 9 Te -2.1284914 0.0000000 0.4206647 0.0000000 -3.1277953 0.0000000 0.5435863 0.0000000 -2.4619215 10 Te -2.1284914 0.0000000 0.4206647 0.0000000 -3.1277953 0.0000000 0.5435863 0.0000000 -2.4619215 11 Te -2.3412465 0.0000000 -1.0307929 0.0000000 -3.8000844 0.0000000 -0.8316683 0.0000000 -1.7607830 12 Te -1.5807137 0.0000000 -0.0200447 0.0000000 -5.5261205 0.0000000 -0.2780552 0.0000000 -2.9522227 13 Te -2.2776962 0.0000000 0.2513787 0.0000000 -3.3547554 0.0000000 0.1984347 0.0000000 -1.9407278 14 Te -2.2776962 0.0000000 0.2513787 0.0000000 -3.3547554 0.0000000 0.1984347 0.0000000 -1.9407278 15 Te -1.5807137 0.0000000 -0.0200447 0.0000000 -5.5261205 0.0000000 -0.2780552 0.0000000 -2.9522227 16 N -3.4774281 0.0000000 0.2112444 0.0000000 -3.9989837 0.0000000 0.1919526 0.0000000 -4.0562204 17 N -3.4774281 0.0000000 0.2112444 0.0000000 -3.9989837 0.0000000 0.1919526 0.0000000 -4.0562204 ---------------------------------------------------------------------------- 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: 306/306 Permutation basis: 9186/9186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2128 Number of blocks in projector: 2128 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: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 233 eigenvectors found. (2) Block: 500 / 580 (2) 233 eigenvectors found. (2) Block: 580 / 580 (2) 71 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 563 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2128, 2084), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 315), data: True |-- (324, 315), data: True |-- (324, 315), data: True |-- (580, 563), data: False |-- (580, 563), data: False |-- (580, 26), data: (580, 43) @ (43, 26) |-- (80, 71), data: True |-- (250, 233), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 102 / 102 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 560 - Time: 0.580 Solver_block: 200 / 560 - Time: 0.519 Solver_block: 300 / 560 - Time: 0.513 Solver_block: 400 / 560 - Time: 0.506 Solver_block: 500 / 560 - Time: 0.513 Solver_block: 560 / 560 - Time: 0.364 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.073 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 306/306 Permutation basis: 9186/9186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2128 Number of blocks in projector: 2128 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: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 233 eigenvectors found. (2) Block: 500 / 580 (2) 233 eigenvectors found. (2) Block: 580 / 580 (2) 71 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 563 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2128, 2084), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 315), data: True |-- (324, 315), data: True |-- (324, 315), data: True |-- (580, 563), data: False |-- (580, 563), data: False |-- (580, 26), data: (580, 43) @ (43, 26) |-- (80, 71), data: True |-- (250, 233), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) 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 2026-01-08 21:24:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:24:44]------------------------- 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): [1 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.897912680010924 -2.086803424999998 0.000000000000000 b 11.897912680010924 2.086803424999998 0.000000000000000 c -2.635491289766844 0.000000000000000 10.957321311838012 Atomic positions (fractional): 1 Tb 0.83551546603386 0.83551546603386 0.60941156963357 158.925 2 Tb 0.16448453396614 0.16448453396614 0.39058843036643 158.925 3 Tb 0.40934271114033 0.40934271114033 0.86296063398203 158.925 4 Tb 0.59065728885967 0.59065728885967 0.13703936601797 158.925 5 Tb 0.21515352004159 0.21515352004159 0.12909345112428 158.925 6 Tb 0.78484647995841 0.78484647995841 0.87090654887572 158.925 7 Cs 0.93482528974465 0.93482528974465 0.30084800794741 132.905 8 Cs 0.06517471025535 0.06517471025535 0.69915199205259 132.905 9 Te 0.33639227542040 0.33639227542040 0.05978049326121 127.600 10 Te 0.66360772457960 0.66360772457960 0.94021950673879 127.600 11 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 12 Te 0.24127514288964 0.24127514288964 0.66198741992430 127.600 13 Te 0.42501383976975 0.42501383976975 0.59394524816587 127.600 14 Te 0.57498616023025 0.57498616023025 0.40605475183413 127.600 15 Te 0.75872485711036 0.75872485711036 0.33801258007570 127.600 16 N 0.86339679227805 0.86339679227805 0.80612212279393 14.007 17 N 0.13660320772195 0.13660320772195 0.19387787720607 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 23.795825360021848 0.000000000000000 0.000000000000000 b 0.000000000000000 12.520820549999991 0.000000000000000 c -2.635491289766844 0.000000000000000 10.957321311838012 Atomic positions (fractional): 1 Tb 0.83551546603386 0.00000000000000 0.60941156963357 158.925 > 1 2 Tb 0.83551546603386 0.33333333333333 0.60941156963357 158.925 > 1 3 Tb 0.83551546603386 0.66666666666667 0.60941156963357 158.925 > 1 4 Tb 0.66448453396614 0.16666666666667 0.39058843036643 158.925 > 4 5 Tb 0.66448453396614 0.50000000000000 0.39058843036643 158.925 > 4 6 Tb 0.66448453396614 0.83333333333333 0.39058843036643 158.925 > 4 7 Tb 0.90934271114033 0.16666666666667 0.86296063398203 158.925 > 7 8 Tb 0.90934271114033 0.50000000000000 0.86296063398203 158.925 > 7 9 Tb 0.90934271114033 0.83333333333333 0.86296063398203 158.925 > 7 10 Tb 0.59065728885967 0.00000000000000 0.13703936601797 158.925 > 10 11 Tb 0.59065728885967 0.33333333333333 0.13703936601797 158.925 > 10 12 Tb 0.59065728885967 0.66666666666667 0.13703936601797 158.925 > 10 13 Tb 0.71515352004159 0.16666666666667 0.12909345112428 158.925 > 13 14 Tb 0.71515352004159 0.50000000000000 0.12909345112428 158.925 > 13 15 Tb 0.71515352004159 0.83333333333333 0.12909345112428 158.925 > 13 16 Tb 0.78484647995841 0.00000000000000 0.87090654887572 158.925 > 16 17 Tb 0.78484647995841 0.33333333333333 0.87090654887572 158.925 > 16 18 Tb 0.78484647995841 0.66666666666667 0.87090654887572 158.925 > 16 19 Tb 0.33551546603386 0.16666666666667 0.60941156963357 158.925 > 1 20 Tb 0.33551546603386 0.50000000000000 0.60941156963357 158.925 > 1 21 Tb 0.33551546603386 0.83333333333333 0.60941156963357 158.925 > 1 22 Tb 0.16448453396614 0.00000000000000 0.39058843036643 158.925 > 4 23 Tb 0.16448453396614 0.33333333333333 0.39058843036643 158.925 > 4 24 Tb 0.16448453396614 0.66666666666667 0.39058843036643 158.925 > 4 25 Tb 0.40934271114033 0.00000000000000 0.86296063398203 158.925 > 7 26 Tb 0.40934271114033 0.33333333333333 0.86296063398203 158.925 > 7 27 Tb 0.40934271114033 0.66666666666667 0.86296063398203 158.925 > 7 28 Tb 0.09065728885967 0.16666666666667 0.13703936601797 158.925 > 10 29 Tb 0.09065728885967 0.50000000000000 0.13703936601797 158.925 > 10 30 Tb 0.09065728885967 0.83333333333333 0.13703936601797 158.925 > 10 31 Tb 0.21515352004159 0.00000000000000 0.12909345112428 158.925 > 13 32 Tb 0.21515352004159 0.33333333333333 0.12909345112428 158.925 > 13 33 Tb 0.21515352004159 0.66666666666667 0.12909345112428 158.925 > 13 34 Tb 0.28484647995841 0.16666666666667 0.87090654887572 158.925 > 16 35 Tb 0.28484647995841 0.50000000000000 0.87090654887572 158.925 > 16 36 Tb 0.28484647995841 0.83333333333333 0.87090654887572 158.925 > 16 37 Cs 0.93482528974465 0.00000000000000 0.30084800794741 132.905 > 37 38 Cs 0.93482528974465 0.33333333333333 0.30084800794741 132.905 > 37 39 Cs 0.93482528974465 0.66666666666667 0.30084800794741 132.905 > 37 40 Cs 0.56517471025535 0.16666666666667 0.69915199205259 132.905 > 40 41 Cs 0.56517471025535 0.50000000000000 0.69915199205259 132.905 > 40 42 Cs 0.56517471025535 0.83333333333333 0.69915199205259 132.905 > 40 43 Cs 0.43482528974465 0.16666666666667 0.30084800794741 132.905 > 37 44 Cs 0.43482528974465 0.50000000000000 0.30084800794741 132.905 > 37 45 Cs 0.43482528974465 0.83333333333333 0.30084800794741 132.905 > 37 46 Cs 0.06517471025535 0.00000000000000 0.69915199205259 132.905 > 40 47 Cs 0.06517471025535 0.33333333333333 0.69915199205259 132.905 > 40 48 Cs 0.06517471025535 0.66666666666667 0.69915199205259 132.905 > 40 49 Te 0.83639227542040 0.16666666666667 0.05978049326121 127.600 > 49 50 Te 0.83639227542040 0.50000000000000 0.05978049326121 127.600 > 49 51 Te 0.83639227542040 0.83333333333333 0.05978049326121 127.600 > 49 52 Te 0.66360772457960 0.00000000000000 0.94021950673879 127.600 > 52 53 Te 0.66360772457960 0.33333333333333 0.94021950673879 127.600 > 52 54 Te 0.66360772457960 0.66666666666667 0.94021950673879 127.600 > 52 55 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 55 56 Te 0.00000000000000 0.33333333333333 0.00000000000000 127.600 > 55 57 Te 0.00000000000000 0.66666666666667 0.00000000000000 127.600 > 55 58 Te 0.74127514288964 0.16666666666667 0.66198741992430 127.600 > 58 59 Te 0.74127514288964 0.50000000000000 0.66198741992430 127.600 > 58 60 Te 0.74127514288964 0.83333333333333 0.66198741992430 127.600 > 58 61 Te 0.92501383976975 0.16666666666667 0.59394524816587 127.600 > 61 62 Te 0.92501383976975 0.50000000000000 0.59394524816587 127.600 > 61 63 Te 0.92501383976975 0.83333333333333 0.59394524816587 127.600 > 61 64 Te 0.57498616023025 0.00000000000000 0.40605475183413 127.600 > 64 65 Te 0.57498616023025 0.33333333333333 0.40605475183413 127.600 > 64 66 Te 0.57498616023025 0.66666666666667 0.40605475183413 127.600 > 64 67 Te 0.75872485711036 0.00000000000000 0.33801258007570 127.600 > 67 68 Te 0.75872485711036 0.33333333333333 0.33801258007570 127.600 > 67 69 Te 0.75872485711036 0.66666666666667 0.33801258007570 127.600 > 67 70 Te 0.33639227542040 0.00000000000000 0.05978049326121 127.600 > 49 71 Te 0.33639227542040 0.33333333333333 0.05978049326121 127.600 > 49 72 Te 0.33639227542040 0.66666666666667 0.05978049326121 127.600 > 49 73 Te 0.16360772457960 0.16666666666667 0.94021950673879 127.600 > 52 74 Te 0.16360772457960 0.50000000000000 0.94021950673879 127.600 > 52 75 Te 0.16360772457960 0.83333333333333 0.94021950673879 127.600 > 52 76 Te 0.50000000000000 0.16666666666667 0.00000000000000 127.600 > 55 77 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 55 78 Te 0.50000000000000 0.83333333333333 0.00000000000000 127.600 > 55 79 Te 0.24127514288964 0.00000000000000 0.66198741992430 127.600 > 58 80 Te 0.24127514288964 0.33333333333333 0.66198741992430 127.600 > 58 81 Te 0.24127514288964 0.66666666666667 0.66198741992430 127.600 > 58 82 Te 0.42501383976975 0.00000000000000 0.59394524816587 127.600 > 61 83 Te 0.42501383976975 0.33333333333333 0.59394524816587 127.600 > 61 84 Te 0.42501383976975 0.66666666666667 0.59394524816587 127.600 > 61 85 Te 0.07498616023025 0.16666666666667 0.40605475183413 127.600 > 64 86 Te 0.07498616023025 0.50000000000000 0.40605475183413 127.600 > 64 87 Te 0.07498616023025 0.83333333333333 0.40605475183413 127.600 > 64 88 Te 0.25872485711036 0.16666666666667 0.33801258007570 127.600 > 67 89 Te 0.25872485711036 0.50000000000000 0.33801258007570 127.600 > 67 90 Te 0.25872485711036 0.83333333333333 0.33801258007570 127.600 > 67 91 N 0.86339679227805 0.00000000000000 0.80612212279393 14.007 > 91 92 N 0.86339679227805 0.33333333333333 0.80612212279393 14.007 > 91 93 N 0.86339679227805 0.66666666666667 0.80612212279393 14.007 > 91 94 N 0.63660320772195 0.16666666666667 0.19387787720607 14.007 > 94 95 N 0.63660320772195 0.50000000000000 0.19387787720607 14.007 > 94 96 N 0.63660320772195 0.83333333333333 0.19387787720607 14.007 > 94 97 N 0.36339679227805 0.16666666666667 0.80612212279393 14.007 > 91 98 N 0.36339679227805 0.50000000000000 0.80612212279393 14.007 > 91 99 N 0.36339679227805 0.83333333333333 0.80612212279393 14.007 > 91 100 N 0.13660320772195 0.00000000000000 0.19387787720607 14.007 > 94 101 N 0.13660320772195 0.33333333333333 0.19387787720607 14.007 > 94 102 N 0.13660320772195 0.66666666666667 0.19387787720607 14.007 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7453595 0.0000000 -0.1840218 0.0000000 13.5282674 0.0000000 -0.1840425 0.0000000 7.4204849 -------------------------- Born effective charges -------------------------- 1 Tb 2.4787736 0.0000000 0.2045971 0.0000000 5.6611205 0.0000000 0.4358223 0.0000000 3.8567227 2 Tb 2.4787736 0.0000000 0.2045971 0.0000000 5.6611205 0.0000000 0.4358223 0.0000000 3.8567227 3 Tb 3.3976563 0.0000000 0.4984896 0.0000000 5.1363367 0.0000000 0.6379781 0.0000000 3.0958588 4 Tb 3.3976563 0.0000000 0.4984896 0.0000000 5.1363367 0.0000000 0.6379781 0.0000000 3.0958588 5 Tb 3.0045514 0.0000000 -1.0272801 0.0000000 5.8364024 0.0000000 -1.3303526 0.0000000 3.6652250 6 Tb 3.0045514 0.0000000 -1.0272801 0.0000000 5.8364024 0.0000000 -1.3303526 0.0000000 3.6652250 7 Cs 1.7539714 0.0000000 -0.0236533 0.0000000 1.2738375 0.0000000 0.0164679 0.0000000 1.6736772 8 Cs 1.7539714 0.0000000 -0.0236533 0.0000000 1.2738375 0.0000000 0.0164679 0.0000000 1.6736772 9 Te -2.1284914 0.0000000 0.4206647 0.0000000 -3.1277953 0.0000000 0.5435863 0.0000000 -2.4619215 10 Te -2.1284914 0.0000000 0.4206647 0.0000000 -3.1277953 0.0000000 0.5435863 0.0000000 -2.4619215 11 Te -2.3412465 0.0000000 -1.0307929 0.0000000 -3.8000844 0.0000000 -0.8316683 0.0000000 -1.7607830 12 Te -1.5807137 0.0000000 -0.0200447 0.0000000 -5.5261205 0.0000000 -0.2780552 0.0000000 -2.9522227 13 Te -2.2776962 0.0000000 0.2513787 0.0000000 -3.3547554 0.0000000 0.1984347 0.0000000 -1.9407278 14 Te -2.2776962 0.0000000 0.2513787 0.0000000 -3.3547554 0.0000000 0.1984347 0.0000000 -1.9407278 15 Te -1.5807137 0.0000000 -0.0200447 0.0000000 -5.5261205 0.0000000 -0.2780552 0.0000000 -2.9522227 16 N -3.4774281 0.0000000 0.2112444 0.0000000 -3.9989837 0.0000000 0.1919526 0.0000000 -4.0562204 17 N -3.4774281 0.0000000 0.2112444 0.0000000 -3.9989837 0.0000000 0.1919526 0.0000000 -4.0562204 ---------------------------------------------------------------------------- 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 7, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 13, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 37, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 55, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 58, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 61, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 91, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:25:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:25:08]------------------------- 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): [1 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.897912680010924 -2.086803424999998 0.000000000000000 b 11.897912680010924 2.086803424999998 0.000000000000000 c -2.635491289766844 0.000000000000000 10.957321311838012 Atomic positions (fractional): 1 Tb 0.83551546603386 0.83551546603386 0.60941156963357 158.925 2 Tb 0.16448453396614 0.16448453396614 0.39058843036643 158.925 3 Tb 0.40934271114033 0.40934271114033 0.86296063398203 158.925 4 Tb 0.59065728885967 0.59065728885967 0.13703936601797 158.925 5 Tb 0.21515352004159 0.21515352004159 0.12909345112428 158.925 6 Tb 0.78484647995841 0.78484647995841 0.87090654887572 158.925 7 Cs 0.93482528974465 0.93482528974465 0.30084800794741 132.905 8 Cs 0.06517471025535 0.06517471025535 0.69915199205259 132.905 9 Te 0.33639227542040 0.33639227542040 0.05978049326121 127.600 10 Te 0.66360772457960 0.66360772457960 0.94021950673879 127.600 11 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 12 Te 0.24127514288964 0.24127514288964 0.66198741992430 127.600 13 Te 0.42501383976975 0.42501383976975 0.59394524816587 127.600 14 Te 0.57498616023025 0.57498616023025 0.40605475183413 127.600 15 Te 0.75872485711036 0.75872485711036 0.33801258007570 127.600 16 N 0.86339679227805 0.86339679227805 0.80612212279393 14.007 17 N 0.13660320772195 0.13660320772195 0.19387787720607 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 23.795825360021848 0.000000000000000 0.000000000000000 b 0.000000000000000 12.520820549999991 0.000000000000000 c -2.635491289766844 0.000000000000000 10.957321311838012 Atomic positions (fractional): 1 Tb 0.83551546603386 0.00000000000000 0.60941156963357 158.925 > 1 2 Tb 0.83551546603386 0.33333333333333 0.60941156963357 158.925 > 1 3 Tb 0.83551546603386 0.66666666666667 0.60941156963357 158.925 > 1 4 Tb 0.66448453396614 0.16666666666667 0.39058843036643 158.925 > 4 5 Tb 0.66448453396614 0.50000000000000 0.39058843036643 158.925 > 4 6 Tb 0.66448453396614 0.83333333333333 0.39058843036643 158.925 > 4 7 Tb 0.90934271114033 0.16666666666667 0.86296063398203 158.925 > 7 8 Tb 0.90934271114033 0.50000000000000 0.86296063398203 158.925 > 7 9 Tb 0.90934271114033 0.83333333333333 0.86296063398203 158.925 > 7 10 Tb 0.59065728885967 0.00000000000000 0.13703936601797 158.925 > 10 11 Tb 0.59065728885967 0.33333333333333 0.13703936601797 158.925 > 10 12 Tb 0.59065728885967 0.66666666666667 0.13703936601797 158.925 > 10 13 Tb 0.71515352004159 0.16666666666667 0.12909345112428 158.925 > 13 14 Tb 0.71515352004159 0.50000000000000 0.12909345112428 158.925 > 13 15 Tb 0.71515352004159 0.83333333333333 0.12909345112428 158.925 > 13 16 Tb 0.78484647995841 0.00000000000000 0.87090654887572 158.925 > 16 17 Tb 0.78484647995841 0.33333333333333 0.87090654887572 158.925 > 16 18 Tb 0.78484647995841 0.66666666666667 0.87090654887572 158.925 > 16 19 Tb 0.33551546603386 0.16666666666667 0.60941156963357 158.925 > 1 20 Tb 0.33551546603386 0.50000000000000 0.60941156963357 158.925 > 1 21 Tb 0.33551546603386 0.83333333333333 0.60941156963357 158.925 > 1 22 Tb 0.16448453396614 0.00000000000000 0.39058843036643 158.925 > 4 23 Tb 0.16448453396614 0.33333333333333 0.39058843036643 158.925 > 4 24 Tb 0.16448453396614 0.66666666666667 0.39058843036643 158.925 > 4 25 Tb 0.40934271114033 0.00000000000000 0.86296063398203 158.925 > 7 26 Tb 0.40934271114033 0.33333333333333 0.86296063398203 158.925 > 7 27 Tb 0.40934271114033 0.66666666666667 0.86296063398203 158.925 > 7 28 Tb 0.09065728885967 0.16666666666667 0.13703936601797 158.925 > 10 29 Tb 0.09065728885967 0.50000000000000 0.13703936601797 158.925 > 10 30 Tb 0.09065728885967 0.83333333333333 0.13703936601797 158.925 > 10 31 Tb 0.21515352004159 0.00000000000000 0.12909345112428 158.925 > 13 32 Tb 0.21515352004159 0.33333333333333 0.12909345112428 158.925 > 13 33 Tb 0.21515352004159 0.66666666666667 0.12909345112428 158.925 > 13 34 Tb 0.28484647995841 0.16666666666667 0.87090654887572 158.925 > 16 35 Tb 0.28484647995841 0.50000000000000 0.87090654887572 158.925 > 16 36 Tb 0.28484647995841 0.83333333333333 0.87090654887572 158.925 > 16 37 Cs 0.93482528974465 0.00000000000000 0.30084800794741 132.905 > 37 38 Cs 0.93482528974465 0.33333333333333 0.30084800794741 132.905 > 37 39 Cs 0.93482528974465 0.66666666666667 0.30084800794741 132.905 > 37 40 Cs 0.56517471025535 0.16666666666667 0.69915199205259 132.905 > 40 41 Cs 0.56517471025535 0.50000000000000 0.69915199205259 132.905 > 40 42 Cs 0.56517471025535 0.83333333333333 0.69915199205259 132.905 > 40 43 Cs 0.43482528974465 0.16666666666667 0.30084800794741 132.905 > 37 44 Cs 0.43482528974465 0.50000000000000 0.30084800794741 132.905 > 37 45 Cs 0.43482528974465 0.83333333333333 0.30084800794741 132.905 > 37 46 Cs 0.06517471025535 0.00000000000000 0.69915199205259 132.905 > 40 47 Cs 0.06517471025535 0.33333333333333 0.69915199205259 132.905 > 40 48 Cs 0.06517471025535 0.66666666666667 0.69915199205259 132.905 > 40 49 Te 0.83639227542040 0.16666666666667 0.05978049326121 127.600 > 49 50 Te 0.83639227542040 0.50000000000000 0.05978049326121 127.600 > 49 51 Te 0.83639227542040 0.83333333333333 0.05978049326121 127.600 > 49 52 Te 0.66360772457960 0.00000000000000 0.94021950673879 127.600 > 52 53 Te 0.66360772457960 0.33333333333333 0.94021950673879 127.600 > 52 54 Te 0.66360772457960 0.66666666666667 0.94021950673879 127.600 > 52 55 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 55 56 Te 0.00000000000000 0.33333333333333 0.00000000000000 127.600 > 55 57 Te 0.00000000000000 0.66666666666667 0.00000000000000 127.600 > 55 58 Te 0.74127514288964 0.16666666666667 0.66198741992430 127.600 > 58 59 Te 0.74127514288964 0.50000000000000 0.66198741992430 127.600 > 58 60 Te 0.74127514288964 0.83333333333333 0.66198741992430 127.600 > 58 61 Te 0.92501383976975 0.16666666666667 0.59394524816587 127.600 > 61 62 Te 0.92501383976975 0.50000000000000 0.59394524816587 127.600 > 61 63 Te 0.92501383976975 0.83333333333333 0.59394524816587 127.600 > 61 64 Te 0.57498616023025 0.00000000000000 0.40605475183413 127.600 > 64 65 Te 0.57498616023025 0.33333333333333 0.40605475183413 127.600 > 64 66 Te 0.57498616023025 0.66666666666667 0.40605475183413 127.600 > 64 67 Te 0.75872485711036 0.00000000000000 0.33801258007570 127.600 > 67 68 Te 0.75872485711036 0.33333333333333 0.33801258007570 127.600 > 67 69 Te 0.75872485711036 0.66666666666667 0.33801258007570 127.600 > 67 70 Te 0.33639227542040 0.00000000000000 0.05978049326121 127.600 > 49 71 Te 0.33639227542040 0.33333333333333 0.05978049326121 127.600 > 49 72 Te 0.33639227542040 0.66666666666667 0.05978049326121 127.600 > 49 73 Te 0.16360772457960 0.16666666666667 0.94021950673879 127.600 > 52 74 Te 0.16360772457960 0.50000000000000 0.94021950673879 127.600 > 52 75 Te 0.16360772457960 0.83333333333333 0.94021950673879 127.600 > 52 76 Te 0.50000000000000 0.16666666666667 0.00000000000000 127.600 > 55 77 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 55 78 Te 0.50000000000000 0.83333333333333 0.00000000000000 127.600 > 55 79 Te 0.24127514288964 0.00000000000000 0.66198741992430 127.600 > 58 80 Te 0.24127514288964 0.33333333333333 0.66198741992430 127.600 > 58 81 Te 0.24127514288964 0.66666666666667 0.66198741992430 127.600 > 58 82 Te 0.42501383976975 0.00000000000000 0.59394524816587 127.600 > 61 83 Te 0.42501383976975 0.33333333333333 0.59394524816587 127.600 > 61 84 Te 0.42501383976975 0.66666666666667 0.59394524816587 127.600 > 61 85 Te 0.07498616023025 0.16666666666667 0.40605475183413 127.600 > 64 86 Te 0.07498616023025 0.50000000000000 0.40605475183413 127.600 > 64 87 Te 0.07498616023025 0.83333333333333 0.40605475183413 127.600 > 64 88 Te 0.25872485711036 0.16666666666667 0.33801258007570 127.600 > 67 89 Te 0.25872485711036 0.50000000000000 0.33801258007570 127.600 > 67 90 Te 0.25872485711036 0.83333333333333 0.33801258007570 127.600 > 67 91 N 0.86339679227805 0.00000000000000 0.80612212279393 14.007 > 91 92 N 0.86339679227805 0.33333333333333 0.80612212279393 14.007 > 91 93 N 0.86339679227805 0.66666666666667 0.80612212279393 14.007 > 91 94 N 0.63660320772195 0.16666666666667 0.19387787720607 14.007 > 94 95 N 0.63660320772195 0.50000000000000 0.19387787720607 14.007 > 94 96 N 0.63660320772195 0.83333333333333 0.19387787720607 14.007 > 94 97 N 0.36339679227805 0.16666666666667 0.80612212279393 14.007 > 91 98 N 0.36339679227805 0.50000000000000 0.80612212279393 14.007 > 91 99 N 0.36339679227805 0.83333333333333 0.80612212279393 14.007 > 91 100 N 0.13660320772195 0.00000000000000 0.19387787720607 14.007 > 94 101 N 0.13660320772195 0.33333333333333 0.19387787720607 14.007 > 94 102 N 0.13660320772195 0.66666666666667 0.19387787720607 14.007 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7453595 0.0000000 -0.1840218 0.0000000 13.5282674 0.0000000 -0.1840425 0.0000000 7.4204849 -------------------------- Born effective charges -------------------------- 1 Tb 2.4787736 0.0000000 0.2045971 0.0000000 5.6611205 0.0000000 0.4358223 0.0000000 3.8567227 2 Tb 2.4787736 0.0000000 0.2045971 0.0000000 5.6611205 0.0000000 0.4358223 0.0000000 3.8567227 3 Tb 3.3976563 0.0000000 0.4984896 0.0000000 5.1363367 0.0000000 0.6379781 0.0000000 3.0958588 4 Tb 3.3976563 0.0000000 0.4984896 0.0000000 5.1363367 0.0000000 0.6379781 0.0000000 3.0958588 5 Tb 3.0045514 0.0000000 -1.0272801 0.0000000 5.8364024 0.0000000 -1.3303526 0.0000000 3.6652250 6 Tb 3.0045514 0.0000000 -1.0272801 0.0000000 5.8364024 0.0000000 -1.3303526 0.0000000 3.6652250 7 Cs 1.7539714 0.0000000 -0.0236533 0.0000000 1.2738375 0.0000000 0.0164679 0.0000000 1.6736772 8 Cs 1.7539714 0.0000000 -0.0236533 0.0000000 1.2738375 0.0000000 0.0164679 0.0000000 1.6736772 9 Te -2.1284914 0.0000000 0.4206647 0.0000000 -3.1277953 0.0000000 0.5435863 0.0000000 -2.4619215 10 Te -2.1284914 0.0000000 0.4206647 0.0000000 -3.1277953 0.0000000 0.5435863 0.0000000 -2.4619215 11 Te -2.3412465 0.0000000 -1.0307929 0.0000000 -3.8000844 0.0000000 -0.8316683 0.0000000 -1.7607830 12 Te -1.5807137 0.0000000 -0.0200447 0.0000000 -5.5261205 0.0000000 -0.2780552 0.0000000 -2.9522227 13 Te -2.2776962 0.0000000 0.2513787 0.0000000 -3.3547554 0.0000000 0.1984347 0.0000000 -1.9407278 14 Te -2.2776962 0.0000000 0.2513787 0.0000000 -3.3547554 0.0000000 0.1984347 0.0000000 -1.9407278 15 Te -1.5807137 0.0000000 -0.0200447 0.0000000 -5.5261205 0.0000000 -0.2780552 0.0000000 -2.9522227 16 N -3.4774281 0.0000000 0.2112444 0.0000000 -3.9989837 0.0000000 0.1919526 0.0000000 -4.0562204 17 N -3.4774281 0.0000000 0.2112444 0.0000000 -3.9989837 0.0000000 0.1919526 0.0000000 -4.0562204 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- 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 ... [ 12 12 5 ] 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: 0.51, Number of G-points: 287, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/199) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.916 ( 0.000 0.000 0.000) 0.000 1.055 ( 0.000 0.000 0.000) 0.000 1.081 ( 0.000 0.000 0.000) 0.000 1.134 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.272 ( 0.000 0.000 0.000) 0.000 1.454 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.600 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.840 ( 0.000 0.000 0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 14.947 ( 0.000 0.000 0.000) 0.000 15.821 ( 0.000 0.000 0.000) 0.000 16.425 ( 0.000 0.000 0.000) 0.000 16.905 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/199) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 3.239 -15.664 0.769) 16.014 0.311 ( 1.941 -17.409 -0.271) 17.519 0.638 ( 3.681 -29.912 1.553) 30.177 1.019 ( -0.126 2.079 -0.015) 2.082 1.057 ( -3.280 -8.478 -1.145) 9.163 1.081 ( 1.776 -5.276 1.650) 5.806 1.239 ( -1.492 0.851 -0.957) 1.967 1.261 ( 0.538 -7.085 0.496) 7.123 1.309 ( 0.111 -5.124 -0.036) 5.125 1.435 ( -0.403 1.193 -0.355) 1.308 1.549 ( -0.853 -0.212 -0.236) 0.910 1.587 ( -0.878 0.568 -1.551) 1.871 1.671 ( 0.990 0.932 1.086) 1.740 1.683 ( 0.922 2.487 0.807) 2.773 1.911 ( -0.507 0.577 -0.067) 0.771 1.955 ( 0.194 -9.882 -0.081) 9.884 2.042 ( -0.048 -6.090 -0.148) 6.092 2.253 ( -1.074 -9.006 -0.509) 9.084 2.324 ( 0.456 -0.993 0.015) 1.093 2.484 ( 0.769 -7.535 0.091) 7.574 2.604 ( -0.489 1.074 -0.116) 1.185 2.630 ( -1.302 1.978 -1.172) 2.642 2.745 ( -0.431 0.812 -0.908) 1.292 2.795 ( 1.071 -5.298 1.509) 5.612 2.861 ( -1.404 -0.634 -0.381) 1.587 2.881 ( 1.238 -5.635 0.586) 5.799 3.061 ( -0.243 -1.016 0.347) 1.100 3.092 ( -0.067 1.437 0.156) 1.447 3.202 ( 0.150 1.040 0.365) 1.112 3.235 ( -2.832 -11.210 -2.356) 11.800 3.320 ( 2.776 -3.083 1.986) 4.599 3.428 ( -0.205 -7.768 0.033) 7.771 3.430 ( 0.127 -7.206 -0.035) 7.207 3.517 ( 1.577 -2.043 0.600) 2.650 3.591 ( -0.607 1.907 0.083) 2.003 3.629 ( -0.274 -0.832 0.763) 1.161 3.690 ( -0.144 1.597 -0.236) 1.620 3.995 ( -6.900 -0.934 -4.415) 8.244 4.272 ( -1.135 2.560 1.633) 3.242 4.430 ( 1.164 0.504 0.223) 1.288 4.510 ( 1.234 3.122 -0.915) 3.480 4.622 ( -1.028 4.467 -0.490) 4.610 4.647 ( 1.494 6.588 1.239) 6.868 5.164 ( 0.050 4.655 0.186) 4.659 5.305 ( 0.161 5.716 0.326) 5.728 9.723 ( -0.148 -23.221 -0.015) 23.222 10.249 ( -7.455 -18.013 -1.789) 19.577 14.894 ( 5.165 7.230 4.656) 10.031 15.661 ( 0.007 14.794 -1.132) 14.837 16.367 ( 2.010 5.868 -2.435) 6.663 16.806 ( -0.652 8.899 0.655) 8.947 ======================= Grid point 2 (3/199) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 2.496 -16.773 0.048) 16.958 0.693 ( 0.472 -19.462 -0.629) 19.478 0.998 ( 0.030 -0.410 0.211) 0.462 1.111 ( -2.716 -9.112 -0.944) 9.555 1.173 ( -0.051 -5.894 -0.265) 5.900 1.251 ( -0.460 -8.476 2.046) 8.732 1.271 ( 1.330 -9.152 -0.884) 9.291 1.382 ( 0.043 -3.603 0.062) 3.604 1.431 ( -0.628 -3.786 -2.991) 4.865 1.446 ( -0.644 -6.425 0.823) 6.510 1.582 ( -1.420 -5.144 -2.881) 6.065 1.617 ( 1.202 -2.929 5.373) 6.236 1.661 ( 2.205 -0.086 -2.075) 3.029 1.670 ( -0.332 -1.513 2.681) 3.096 1.872 ( -0.358 -0.249 0.048) 0.439 2.176 ( 0.268 -10.737 -0.349) 10.746 2.220 ( 0.630 -8.426 0.637) 8.473 2.376 ( -1.630 -4.093 -0.733) 4.467 2.418 ( 1.131 -6.231 0.240) 6.338 2.558 ( -0.886 0.300 -0.539) 1.079 2.584 ( 0.083 0.643 -1.031) 1.217 2.616 ( -0.432 -1.510 0.441) 1.631 2.776 ( -2.822 -3.542 -3.629) 5.804 2.833 ( 2.307 -0.420 2.630) 3.523 2.987 ( 1.450 -10.271 1.955) 10.556 3.025 ( -0.441 -5.656 -1.764) 5.941 3.045 ( 0.405 0.039 1.737) 1.784 3.151 ( -0.139 -5.285 0.123) 5.289 3.179 ( 0.358 1.110 0.220) 1.187 3.287 ( -1.483 0.934 -1.376) 2.228 3.457 ( 0.627 -5.021 0.523) 5.086 3.504 ( -1.132 1.228 0.643) 1.789 3.574 ( -0.220 -1.721 1.248) 2.137 3.582 ( 0.242 -3.503 -0.926) 3.631 3.601 ( 2.404 -5.609 -0.617) 6.133 3.701 ( -1.180 -5.392 0.273) 5.526 3.723 ( 1.096 -7.817 0.670) 7.922 3.990 ( -2.239 -1.070 -1.655) 2.983 4.204 ( -1.605 3.720 -0.050) 4.052 4.409 ( -0.454 6.979 -0.809) 7.040 4.427 ( 0.383 1.029 0.466) 1.193 4.497 ( -0.800 6.507 1.588) 6.746 4.518 ( 1.477 5.297 -1.366) 5.666 5.056 ( -0.013 5.456 -0.027) 5.456 5.196 ( 0.188 4.731 0.247) 4.741 10.232 ( 0.286 -25.020 -0.046) 25.021 10.668 ( -3.264 -24.157 -0.545) 24.382 14.731 ( 2.681 10.240 2.244) 10.820 15.297 ( -0.454 19.854 -1.341) 19.904 16.234 ( 1.198 6.963 -0.828) 7.114 16.595 ( -1.088 10.757 0.545) 10.826 ======================= Grid point 3 (4/199) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 1.492 -4.633 -0.300) 4.876 1.054 ( -1.537 -15.670 -1.417) 15.809 1.092 ( -0.028 -11.627 1.046) 11.674 1.189 ( 0.325 -2.614 -0.761) 2.742 1.221 ( -6.385 -3.445 0.232) 7.258 1.358 ( 5.741 -3.177 -0.753) 6.604 1.419 ( 0.183 -1.694 -0.125) 1.709 1.446 ( -2.265 -5.069 -4.818) 7.351 1.510 ( -0.595 -4.824 2.233) 5.349 1.591 ( 0.469 0.465 1.870) 1.983 1.608 ( 2.241 -2.465 3.526) 4.851 1.694 ( 0.317 -6.589 0.698) 6.634 1.786 ( -0.003 -7.127 0.601) 7.152 1.853 ( 0.426 -13.930 -1.958) 14.073 1.926 ( -0.457 -4.071 -0.055) 4.097 2.318 ( -1.130 -3.105 -1.366) 3.576 2.375 ( 2.398 -5.882 1.796) 6.601 2.433 ( 0.048 -3.857 -0.886) 3.957 2.477 ( -0.703 0.320 0.921) 1.202 2.571 ( -0.060 -0.506 -1.839) 1.908 2.596 ( -0.064 -3.380 1.299) 3.622 2.706 ( 0.504 -7.446 1.316) 7.578 2.781 ( -1.092 0.063 -1.600) 1.938 2.892 ( -0.901 -2.515 -3.164) 4.141 3.020 ( 0.288 0.516 2.387) 2.459 3.129 ( -0.634 -2.991 -1.010) 3.220 3.176 ( 0.097 -2.391 0.352) 2.419 3.189 ( 1.910 -5.317 1.368) 5.813 3.247 ( 0.394 -3.619 -0.400) 3.662 3.289 ( 0.323 -1.771 0.779) 1.962 3.453 ( -0.819 0.111 -0.119) 0.836 3.507 ( -0.639 -0.709 0.695) 1.181 3.585 ( -0.258 -0.519 0.165) 0.603 3.635 ( -0.223 -1.936 -0.579) 2.033 3.715 ( 1.243 -4.087 -0.151) 4.275 3.806 ( -0.856 -3.849 0.235) 3.950 3.837 ( 0.543 -1.258 0.358) 1.416 4.059 ( -0.513 -4.788 -0.658) 4.860 4.107 ( -0.495 5.587 -0.197) 5.612 4.230 ( 1.012 7.198 -0.746) 7.307 4.391 ( -2.921 2.647 2.225) 4.527 4.432 ( -0.643 -0.380 0.500) 0.899 4.465 ( 2.214 0.907 -1.939) 3.080 4.969 ( -0.131 2.938 -0.328) 2.959 5.119 ( 0.233 3.278 0.164) 3.290 10.685 ( 1.156 -20.256 0.139) 20.289 11.134 ( -3.280 -22.619 -0.370) 22.859 14.524 ( 1.926 11.154 1.242) 11.387 14.903 ( -0.464 18.870 -0.971) 18.900 16.121 ( 0.875 4.301 -0.281) 4.399 16.402 ( -1.030 7.984 0.237) 8.053 ======================= Grid point 4 (5/199) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.128 1.349 -0.049) 1.356 1.200 ( -0.731 -1.546 0.140) 1.716 1.246 ( -1.119 -2.346 -0.225) 2.609 1.306 ( -3.632 -8.349 0.656) 9.129 1.408 ( 0.581 -10.147 -1.455) 10.267 1.440 ( 0.335 -8.553 0.022) 8.560 1.468 ( 6.505 -1.414 0.046) 6.657 1.503 ( -0.499 -0.990 -1.666) 2.001 1.552 ( 1.345 0.837 4.541) 4.810 1.636 ( -0.699 -8.222 -0.128) 8.252 1.698 ( -0.580 -4.547 0.686) 4.635 1.834 ( -1.565 -5.862 0.142) 6.069 1.901 ( 0.941 -4.195 0.468) 4.325 1.970 ( -1.040 0.160 -1.978) 2.240 2.018 ( 0.174 -3.765 -1.272) 3.978 2.285 ( 1.513 4.157 0.173) 4.427 2.410 ( -0.373 5.261 -0.447) 5.293 2.545 ( 0.583 -4.744 0.275) 4.787 2.569 ( -0.693 -10.890 -0.765) 10.939 2.591 ( -1.075 -2.536 -0.802) 2.869 2.647 ( 0.534 -1.300 2.021) 2.462 2.784 ( -1.036 -1.787 0.102) 2.069 2.869 ( -1.276 -0.506 -5.036) 5.220 2.920 ( 0.611 -7.981 -1.427) 8.130 3.020 ( 0.628 0.195 4.614) 4.661 3.165 ( -0.442 -1.106 -0.573) 1.321 3.196 ( -0.686 -0.558 -0.124) 0.892 3.250 ( 3.131 1.370 2.466) 4.214 3.279 ( 0.471 -1.210 -0.192) 1.313 3.356 ( -0.646 -4.693 -0.835) 4.810 3.463 ( -0.092 -0.732 1.835) 1.978 3.574 ( 0.159 -4.275 0.698) 4.335 3.602 ( -0.098 -1.225 -0.129) 1.235 3.682 ( -0.939 -4.039 -0.893) 4.242 3.772 ( 0.984 -1.210 0.496) 1.637 3.809 ( 0.042 2.442 0.210) 2.451 3.841 ( -0.130 0.439 -0.198) 0.499 3.993 ( -0.326 5.068 -0.632) 5.118 4.009 ( 0.145 5.051 0.049) 5.053 4.263 ( 0.858 -4.922 -0.323) 5.006 4.373 ( -2.373 -1.258 1.305) 2.986 4.437 ( 0.559 -0.276 -0.526) 0.816 4.469 ( 0.428 -0.207 -0.334) 0.581 4.939 ( -0.842 0.113 -1.365) 1.608 5.061 ( 0.589 2.715 0.695) 2.864 11.065 ( 2.911 -17.421 0.251) 17.665 11.519 ( -5.078 -16.912 -0.373) 17.662 14.313 ( 1.275 10.357 0.692) 10.458 14.550 ( 0.112 16.079 -0.576) 16.090 16.073 ( 0.428 0.818 -0.085) 0.927 16.271 ( -0.500 5.021 0.073) 5.046 ======================= Grid point 5 (6/199) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.198 1.354 -0.001) 1.368 1.221 ( -0.234 -0.790 -0.151) 0.838 1.272 ( 0.441 -0.446 0.306) 0.698 1.397 ( -0.746 -3.107 2.750) 4.215 1.449 ( 0.937 0.776 0.361) 1.269 1.511 ( 0.286 -0.400 -1.049) 1.158 1.536 ( 1.198 -0.076 -0.404) 1.267 1.604 ( -0.019 -7.683 -0.575) 7.704 1.685 ( 0.487 -9.485 1.103) 9.561 1.769 ( 0.660 -2.684 0.229) 2.773 1.794 ( -1.176 -5.821 -0.339) 5.948 1.873 ( -2.587 -0.481 -1.321) 2.945 1.928 ( -0.223 2.873 -0.126) 2.884 1.980 ( -0.264 -2.975 -1.847) 3.512 2.068 ( 2.278 -1.256 1.524) 3.015 2.206 ( 1.048 3.675 0.184) 3.826 2.282 ( 0.832 6.451 0.346) 6.514 2.602 ( -0.004 -1.356 0.171) 1.367 2.631 ( -0.572 -2.113 0.120) 2.192 2.655 ( 0.209 -1.206 1.817) 2.191 2.729 ( -0.673 -0.467 -1.106) 1.376 2.812 ( -2.956 2.192 -5.571) 6.677 2.850 ( -2.695 -6.364 -2.967) 7.521 3.035 ( 0.713 -1.946 2.947) 3.602 3.103 ( 2.459 -5.178 -0.246) 5.738 3.159 ( -1.052 1.493 3.716) 4.141 3.189 ( 0.901 1.666 -2.473) 3.115 3.252 ( 1.398 -3.593 2.525) 4.609 3.309 ( 1.942 -0.927 1.532) 2.642 3.433 ( -1.304 -3.014 -1.373) 3.559 3.501 ( 0.493 -2.394 1.633) 2.939 3.622 ( -0.378 -0.151 -0.452) 0.608 3.629 ( -0.210 -1.723 0.656) 1.856 3.720 ( 0.662 3.418 -0.375) 3.502 3.771 ( -0.457 -2.387 -0.252) 2.444 3.803 ( 0.578 -0.501 0.260) 0.808 3.826 ( -0.520 0.045 -0.544) 0.754 3.923 ( 0.036 1.647 0.151) 1.655 3.942 ( 0.147 2.037 -0.161) 2.049 4.325 ( 0.126 -1.235 0.185) 1.255 4.408 ( -0.619 -2.076 0.458) 2.214 4.445 ( 0.298 -0.308 -0.604) 0.741 4.466 ( -0.058 0.474 0.102) 0.488 4.941 ( -1.602 -0.523 -2.470) 2.990 5.021 ( 1.176 1.483 1.733) 2.566 11.392 ( 4.370 -13.062 0.243) 13.776 11.752 ( -6.030 -8.052 -0.309) 10.065 14.138 ( 0.475 6.888 0.321) 6.912 14.281 ( 0.630 10.263 -0.264) 10.286 16.084 ( -0.119 -1.586 -0.031) 1.591 16.188 ( 0.130 3.443 0.024) 3.445 ======================= Grid point 6 (7/199) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 -0.000 -0.000) 0.000 1.229 ( 0.000 -0.000 -0.000) 0.000 1.276 ( 0.000 -0.000 0.000) 0.000 1.417 ( 0.000 -0.000 0.000) 0.000 1.469 ( 0.000 0.000 -0.000) 0.000 1.505 ( 0.000 -0.000 0.000) 0.000 1.534 ( 0.000 -0.000 0.000) 0.000 1.694 ( 0.000 -0.000 0.000) 0.000 1.793 ( 0.000 -0.000 0.000) 0.000 1.806 ( -0.000 0.000 0.000) 0.000 1.822 ( 0.000 -0.000 -0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 -0.000 0.000) 0.000 1.997 ( 0.000 -0.000 0.000) 0.000 2.085 ( 0.000 -0.000 -0.000) 0.000 2.170 ( 0.000 -0.000 0.000) 0.000 2.209 ( 0.000 -0.000 -0.000) 0.000 2.624 ( 0.000 -0.000 0.000) 0.000 2.635 ( 0.000 -0.000 -0.000) 0.000 2.696 ( 0.000 -0.000 -0.000) 0.000 2.701 ( 0.000 -0.000 0.000) 0.000 2.769 ( 0.000 0.000 -0.000) 0.000 2.926 ( -0.000 -0.000 -0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 -0.000 -0.000) 0.000 3.159 ( 0.000 -0.000 -0.000) 0.000 3.162 ( -0.000 -0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 -0.000 0.000) 0.000 3.533 ( 0.000 -0.000 -0.000) 0.000 3.595 ( 0.000 -0.000 0.000) 0.000 3.648 ( 0.000 -0.000 0.000) 0.000 3.689 ( 0.000 -0.000 0.000) 0.000 3.786 ( 0.000 -0.000 0.000) 0.000 3.805 ( 0.000 -0.000 0.000) 0.000 3.838 ( 0.000 -0.000 0.000) 0.000 3.908 ( 0.000 -0.000 0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 -0.000 0.000) 0.000 4.433 ( 0.000 0.000 -0.000) 0.000 4.448 ( 0.000 -0.000 0.000) 0.000 4.457 ( 0.000 -0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 5.011 ( 0.000 -0.000 -0.000) 0.000 11.551 ( 0.000 -0.000 0.000) 0.000 11.810 ( 0.000 -0.000 0.000) 0.000 14.066 ( 0.000 -0.000 0.000) 0.000 14.174 ( 0.000 -0.000 0.000) 0.000 16.122 ( 0.000 0.000 0.000) 0.000 16.133 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 14 (8/199) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.108 ( 15.026 -0.000 1.252) 15.078 0.117 ( 16.821 -0.000 -1.129) 16.859 0.199 ( 24.922 -0.000 13.985) 28.578 0.906 ( -2.567 0.000 -0.089) 2.568 1.044 ( -2.703 0.000 0.859) 2.836 1.089 ( 1.646 -0.000 -0.359) 1.684 1.134 ( 0.024 -0.000 0.069) 0.073 1.245 ( 0.263 -0.000 -0.162) 0.309 1.266 ( -1.463 0.000 -0.119) 1.468 1.488 ( -1.431 0.000 -6.393) 6.552 1.572 ( -0.181 0.000 -10.284) 10.285 1.611 ( 3.653 -0.000 -6.744) 7.669 1.715 ( -0.525 0.000 6.471) 6.492 1.736 ( 0.481 -0.000 0.322) 0.579 1.818 ( 1.123 -0.000 -0.400) 1.192 1.839 ( -0.248 0.000 -0.244) 0.348 2.050 ( 0.016 -0.000 0.078) 0.079 2.094 ( -2.989 0.000 -1.975) 3.582 2.356 ( -0.415 0.000 -0.653) 0.774 2.426 ( 1.511 -0.000 -5.535) 5.737 2.486 ( 0.650 -0.000 0.629) 0.904 2.617 ( -0.833 0.000 0.336) 0.898 2.696 ( -5.137 0.000 11.896) 12.958 2.758 ( -0.631 0.000 -0.042) 0.632 2.772 ( 0.572 -0.000 -0.038) 0.573 2.788 ( 0.383 -0.000 -0.713) 0.809 3.029 ( 0.202 -0.000 -0.861) 0.884 3.093 ( 0.611 -0.000 3.534) 3.587 3.129 ( -0.295 0.000 -0.015) 0.295 3.227 ( 1.431 -0.000 -2.163) 2.594 3.228 ( 0.053 -0.000 -0.002) 0.053 3.259 ( -0.023 0.000 -0.007) 0.024 3.344 ( -0.040 0.000 0.055) 0.068 3.355 ( 0.011 -0.000 -0.046) 0.047 3.529 ( 3.171 -0.000 2.996) 4.363 3.610 ( -0.446 0.000 -0.722) 0.848 3.638 ( 4.286 -0.000 -15.728) 16.301 3.714 ( -0.034 0.000 -0.010) 0.035 4.365 ( -10.003 0.000 14.515) 17.627 4.458 ( 3.779 -0.000 3.927) 5.450 4.601 ( 3.011 -0.000 -20.482) 20.702 4.664 ( -1.401 0.000 -0.149) 1.409 4.769 ( -1.629 0.000 16.911) 16.990 5.218 ( 0.622 -0.000 1.050) 1.221 5.413 ( -3.192 0.000 10.037) 10.533 9.255 ( 0.909 -0.000 -0.022) 0.909 9.455 ( -0.896 0.000 0.020) 0.896 15.478 ( -26.340 0.000 105.439) 108.680 15.825 ( 0.756 -0.000 1.008) 1.260 16.607 ( 25.758 -0.000 -106.677) 109.743 16.902 ( -0.710 0.000 0.350) 0.792 ======================= Grid point 15 (9/199) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 7.982 -13.317 -0.132) 15.526 0.340 ( 6.174 -14.823 1.947) 16.175 0.690 ( 9.349 -27.220 3.628) 29.009 1.015 ( -1.632 -1.156 0.656) 2.104 1.028 ( -3.447 -4.150 -1.596) 5.626 1.092 ( 0.234 -6.490 2.391) 6.921 1.221 ( -2.802 -0.447 -1.916) 3.424 1.264 ( 0.104 -5.376 0.703) 5.423 1.310 ( 0.267 -5.441 -0.120) 5.449 1.429 ( -0.948 1.347 -0.879) 1.867 1.537 ( -2.058 0.449 -1.576) 2.630 1.573 ( -1.770 -0.247 -2.422) 3.010 1.685 ( 2.040 1.478 1.697) 3.038 1.697 ( 2.120 2.017 2.429) 3.803 1.904 ( -1.497 0.839 -0.294) 1.741 1.958 ( 0.584 -9.894 -0.178) 9.913 2.041 ( -0.164 -6.826 -0.423) 6.841 2.238 ( -2.638 -9.234 -1.416) 9.707 2.330 ( 1.191 -1.244 0.105) 1.725 2.494 ( 1.941 -6.924 0.131) 7.192 2.595 ( -1.958 1.474 -1.639) 2.948 2.613 ( -2.320 0.947 -1.262) 2.805 2.739 ( -0.647 1.166 -1.348) 1.896 2.808 ( 1.058 -5.113 2.168) 5.653 2.849 ( -1.500 -4.282 0.048) 4.537 2.893 ( 1.781 -3.691 0.844) 4.184 3.059 ( -0.778 -1.317 0.945) 1.798 3.092 ( -0.154 1.425 0.365) 1.479 3.200 ( -3.159 -5.585 0.157) 6.419 3.208 ( -0.335 -1.442 -2.864) 3.224 3.348 ( 3.431 -5.945 2.396) 7.270 3.425 ( -0.536 -7.682 0.027) 7.701 3.431 ( 0.267 -7.338 -0.092) 7.343 3.541 ( 4.584 -1.337 1.896) 5.138 3.583 ( -1.849 1.609 0.605) 2.525 3.627 ( -0.962 -1.069 2.278) 2.694 3.687 ( -0.439 1.088 -0.984) 1.531 3.906 ( -13.126 -9.378 -9.067) 18.505 4.257 ( -4.114 3.869 1.908) 5.961 4.445 ( 2.598 1.505 0.259) 3.014 4.518 ( 1.443 4.008 -2.036) 4.721 4.612 ( -1.227 4.324 -0.631) 4.539 4.665 ( 2.651 7.132 2.493) 8.007 5.166 ( 0.253 4.823 0.601) 4.866 5.307 ( 0.247 5.925 0.699) 5.972 9.721 ( -0.395 -23.503 -0.042) 23.506 10.154 ( -16.532 -26.831 -3.934) 31.759 14.969 ( 10.931 13.368 11.579) 20.791 15.657 ( 0.138 15.043 -3.111) 15.362 16.385 ( 5.131 7.234 -6.415) 10.946 16.800 ( -1.786 8.952 1.827) 9.309 ======================= Grid point 16 (10/199) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 4.383 -15.957 -0.368) 16.552 0.699 ( 1.700 -18.446 -0.217) 18.525 0.999 ( 0.071 -0.306 0.252) 0.402 1.078 ( -5.795 -6.244 -1.380) 8.630 1.172 ( -0.298 -4.039 -1.302) 4.254 1.259 ( 0.652 -8.811 2.101) 9.081 1.272 ( 0.233 -12.123 -0.445) 12.134 1.383 ( 0.225 -3.964 0.382) 3.988 1.419 ( -1.388 -1.147 -2.049) 2.728 1.448 ( 1.223 -8.833 -0.438) 8.928 1.567 ( -1.569 -6.659 -2.189) 7.183 1.630 ( -0.274 -4.916 4.768) 6.854 1.668 ( 1.454 0.315 -2.355) 2.786 1.685 ( 2.189 0.205 4.298) 4.828 1.868 ( -0.752 -0.541 0.093) 0.931 2.178 ( 0.644 -10.304 -0.425) 10.333 2.228 ( 1.001 -9.056 1.039) 9.170 2.360 ( -2.330 -4.155 -1.360) 4.954 2.428 ( 1.536 -6.345 0.451) 6.544 2.547 ( -1.754 0.660 -1.020) 2.133 2.583 ( -0.047 -0.084 -1.542) 1.545 2.613 ( -0.559 -1.895 0.160) 1.982 2.751 ( -2.461 -2.545 -3.197) 4.770 2.852 ( 1.932 -0.627 2.468) 3.196 2.999 ( 0.242 -9.042 1.145) 9.117 3.024 ( 1.438 -5.608 -0.567) 5.817 3.051 ( 0.614 -1.074 2.040) 2.386 3.150 ( -0.227 -5.374 0.323) 5.388 3.183 ( 0.625 1.157 0.397) 1.374 3.271 ( -2.270 -1.106 -2.014) 3.230 3.463 ( 0.958 -2.591 -0.420) 2.794 3.494 ( -2.178 0.719 1.854) 2.949 3.574 ( -0.219 -1.326 1.417) 1.953 3.583 ( 0.546 -4.349 -1.238) 4.554 3.622 ( 3.829 -4.614 -0.469) 6.014 3.693 ( -1.268 -5.625 0.387) 5.779 3.733 ( 1.270 -7.565 1.414) 7.800 3.964 ( -3.935 -2.629 -2.991) 5.598 4.188 ( -2.779 2.538 -0.141) 3.766 4.404 ( -0.425 6.667 -0.789) 6.727 4.430 ( 0.318 1.486 0.148) 1.527 4.495 ( -0.654 7.842 1.721) 8.055 4.527 ( 1.698 4.826 -1.310) 5.281 5.056 ( -0.010 5.499 -0.035) 5.500 5.198 ( 0.316 4.755 0.414) 4.783 10.235 ( 0.592 -25.228 -0.076) 25.235 10.635 ( -5.579 -25.609 -0.905) 26.226 14.763 ( 4.553 11.591 3.980) 13.074 15.289 ( -0.858 19.821 -2.461) 19.992 16.244 ( 2.154 7.277 -1.487) 7.733 16.586 ( -1.964 10.683 1.000) 10.908 ======================= Grid point 17 (11/199) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 2.223 -3.511 -0.525) 4.189 1.039 ( -1.965 -15.013 -1.756) 15.242 1.093 ( -0.341 -10.390 1.133) 10.457 1.171 ( -5.984 -6.600 1.036) 8.969 1.200 ( 1.326 -2.500 -1.571) 3.236 1.389 ( 3.290 -3.124 -1.394) 4.746 1.408 ( -3.851 -4.584 -0.391) 5.999 1.435 ( 2.382 -3.092 -4.522) 5.974 1.512 ( 0.077 -6.049 2.263) 6.459 1.599 ( 0.606 -0.384 2.829) 2.919 1.628 ( 1.603 -0.623 3.977) 4.333 1.697 ( 0.355 -5.877 0.831) 5.946 1.787 ( -0.036 -7.485 1.185) 7.578 1.853 ( 0.818 -12.869 -3.039) 13.248 1.922 ( -0.627 -4.021 -0.064) 4.070 2.309 ( -0.815 -3.383 -1.129) 3.658 2.396 ( 2.723 -5.720 1.760) 6.575 2.431 ( -0.147 -4.248 -1.227) 4.424 2.474 ( -0.691 0.217 1.329) 1.514 2.566 ( -0.365 0.313 -2.131) 2.185 2.599 ( 0.362 -4.311 1.794) 4.684 2.710 ( -0.190 -7.330 0.933) 7.392 2.770 ( -1.009 -1.348 -2.247) 2.808 2.881 ( -0.799 -0.728 -2.937) 3.129 3.026 ( 0.199 -0.024 2.937) 2.943 3.120 ( -1.123 -3.149 -1.748) 3.772 3.178 ( 0.103 -1.403 0.325) 1.444 3.206 ( 2.163 -5.275 1.153) 5.816 3.251 ( 0.909 -3.981 -0.692) 4.142 3.295 ( 0.805 -1.992 1.933) 2.890 3.445 ( -1.437 -0.327 -0.201) 1.488 3.503 ( -0.750 -1.027 0.887) 1.551 3.584 ( -0.274 -0.469 0.286) 0.614 3.633 ( -0.092 -1.433 -0.764) 1.627 3.724 ( 1.448 -3.752 -0.220) 4.027 3.800 ( -0.914 -3.928 0.273) 4.043 3.841 ( 0.390 -1.173 0.485) 1.328 4.054 ( -0.676 -5.631 -0.905) 5.743 4.102 ( -0.668 5.624 -0.277) 5.671 4.238 ( 1.622 7.013 -1.225) 7.302 4.372 ( -3.764 2.711 2.818) 5.427 4.430 ( -0.133 -0.628 0.132) 0.656 4.476 ( 1.796 1.250 -1.671) 2.753 4.967 ( -0.169 3.109 -0.437) 3.144 5.121 ( 0.310 3.259 0.215) 3.281 10.696 ( 1.832 -20.706 0.216) 20.788 11.104 ( -4.716 -22.462 -0.527) 22.957 14.543 ( 2.701 11.739 1.786) 12.177 14.897 ( -0.728 18.582 -1.420) 18.651 16.128 ( 1.268 4.522 -0.404) 4.713 16.393 ( -1.477 7.745 0.344) 7.892 ======================= Grid point 18 (12/199) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.153 1.628 -0.052) 1.636 1.195 ( -0.736 -1.895 0.169) 2.040 1.238 ( -1.251 -3.457 0.327) 3.691 1.284 ( -2.852 -9.091 -0.022) 9.527 1.408 ( 0.588 -7.159 -2.364) 7.562 1.442 ( 0.117 -8.485 0.949) 8.538 1.494 ( 0.207 -2.989 -2.658) 4.005 1.520 ( 6.490 -1.507 1.952) 6.942 1.570 ( 1.610 0.861 4.136) 4.521 1.631 ( -0.897 -8.041 0.133) 8.092 1.694 ( -0.906 -4.372 0.866) 4.548 1.819 ( -2.542 -4.816 -0.169) 5.448 1.910 ( 1.201 -4.111 0.855) 4.367 1.958 ( -1.242 0.049 -3.063) 3.305 2.018 ( 0.243 -4.741 -1.147) 4.884 2.298 ( 1.953 3.835 0.250) 4.311 2.406 ( -0.604 4.754 -0.567) 4.825 2.550 ( 0.682 -4.507 0.314) 4.569 2.562 ( -0.785 -8.605 -0.774) 8.676 2.582 ( -1.072 -3.700 -0.637) 3.904 2.654 ( 0.542 -1.065 2.337) 2.625 2.776 ( -1.177 -2.222 -0.374) 2.543 2.843 ( -2.542 2.427 -6.247) 7.168 2.933 ( 2.575 -10.547 0.651) 10.877 3.031 ( 0.278 0.239 4.238) 4.253 3.159 ( -0.811 -1.371 -1.019) 1.891 3.191 ( -0.668 -0.238 -0.169) 0.728 3.277 ( 2.710 2.043 2.024) 3.952 3.283 ( 1.049 -2.474 0.111) 2.690 3.350 ( -0.719 -4.236 -0.910) 4.391 3.465 ( -0.121 -1.172 2.280) 2.566 3.577 ( 0.279 -4.227 0.822) 4.315 3.600 ( -0.317 -1.263 -0.142) 1.310 3.675 ( -0.555 -4.109 -0.888) 4.240 3.779 ( 0.832 -1.402 0.418) 1.683 3.809 ( -0.004 2.519 0.255) 2.532 3.840 ( -0.142 0.611 -0.226) 0.667 3.990 ( -0.404 4.448 -0.727) 4.525 4.010 ( 0.151 5.511 0.026) 5.514 4.270 ( 1.287 -4.768 -0.508) 4.964 4.357 ( -2.782 -1.779 1.410) 3.591 4.440 ( 0.523 -0.308 -0.388) 0.720 4.471 ( 0.359 0.058 -0.382) 0.528 4.930 ( -0.896 0.567 -1.475) 1.817 5.066 ( 0.605 2.430 0.696) 2.600 11.091 ( 4.123 -18.019 0.348) 18.488 11.477 ( -6.613 -16.468 -0.487) 17.753 14.324 ( 1.476 10.799 0.830) 10.931 14.550 ( 0.110 15.740 -0.697) 15.756 16.076 ( 0.513 1.053 -0.102) 1.175 16.267 ( -0.595 4.734 0.088) 4.772 ======================= Grid point 19 (13/199) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.201 1.344 -0.003) 1.359 1.219 ( -0.215 -0.884 -0.135) 0.920 1.276 ( 0.472 -0.464 0.262) 0.711 1.398 ( -0.218 -3.991 2.931) 4.957 1.452 ( 0.069 0.831 -0.306) 0.888 1.512 ( 0.368 -0.679 -0.487) 0.914 1.540 ( -0.087 -0.290 -0.254) 0.395 1.612 ( 2.577 -5.539 -0.740) 6.154 1.691 ( 0.597 -8.640 1.303) 8.758 1.767 ( -1.652 -3.030 0.525) 3.491 1.788 ( -0.164 -5.257 -0.766) 5.315 1.853 ( -2.416 -2.120 -1.342) 3.484 1.926 ( -0.231 2.495 -0.294) 2.523 1.977 ( 0.139 -2.472 -1.424) 2.856 2.085 ( 1.855 -1.348 1.163) 2.571 2.213 ( 0.840 4.506 0.085) 4.585 2.290 ( 1.043 5.796 0.507) 5.911 2.603 ( 0.202 -1.640 0.363) 1.692 2.627 ( -0.573 -2.381 0.018) 2.449 2.660 ( 0.177 -0.772 2.212) 2.350 2.721 ( -0.860 -0.470 -1.488) 1.782 2.783 ( -2.611 -0.152 -5.104) 5.735 2.827 ( -2.376 -4.571 -2.424) 5.694 3.043 ( 0.525 -1.834 2.157) 2.880 3.120 ( 2.551 -4.322 -0.681) 5.065 3.158 ( -0.871 1.219 2.933) 3.293 3.187 ( -0.350 0.692 -1.696) 1.865 3.267 ( 1.487 -2.845 2.326) 3.964 3.328 ( 2.525 -0.764 1.944) 3.277 3.422 ( -1.354 -3.213 -1.345) 3.737 3.507 ( 0.398 -2.229 1.572) 2.756 3.618 ( -0.474 -0.008 -0.511) 0.696 3.629 ( -0.195 -1.596 0.579) 1.709 3.725 ( 0.722 3.446 -0.291) 3.533 3.769 ( -0.234 -2.647 -0.096) 2.659 3.807 ( 0.498 -0.444 0.084) 0.672 3.821 ( -0.642 0.185 -0.526) 0.851 3.924 ( 0.088 1.827 0.161) 1.836 3.943 ( 0.061 1.711 -0.193) 1.723 4.325 ( 0.020 -1.040 0.147) 1.050 4.405 ( -0.445 -2.528 0.400) 2.598 4.446 ( 0.235 -0.163 -0.504) 0.579 4.466 ( -0.078 0.492 0.084) 0.505 4.926 ( -1.315 -0.604 -2.034) 2.496 5.031 ( 0.880 1.463 1.285) 2.137 11.428 ( 5.876 -12.691 0.322) 13.989 11.704 ( -7.523 -8.859 -0.386) 11.629 14.142 ( 0.408 7.181 0.314) 7.199 14.285 ( 0.681 10.238 -0.258) 10.264 16.083 ( -0.117 -1.423 -0.030) 1.428 16.189 ( 0.128 3.269 0.024) 3.271 ======================= Grid point 20 (14/199) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.006 -0.099 -0.006) 0.099 1.229 ( 0.010 -0.094 -0.005) 0.094 1.276 ( 0.026 0.286 0.013) 0.287 1.417 ( -0.084 0.609 -0.089) 0.621 1.468 ( -0.190 0.063 0.295) 0.357 1.506 ( 0.259 0.495 -0.029) 0.560 1.534 ( -0.066 0.056 -0.196) 0.214 1.699 ( 1.220 -0.826 -0.031) 1.473 1.777 ( -3.161 -0.174 -0.296) 3.180 1.816 ( 0.901 0.250 0.587) 1.104 1.825 ( 1.220 -0.842 -0.096) 1.485 1.865 ( -0.037 0.141 -0.151) 0.209 1.919 ( -0.114 -0.277 -0.003) 0.299 1.997 ( 0.005 -0.423 -0.035) 0.424 2.085 ( 0.077 1.232 0.038) 1.235 2.170 ( 0.069 -0.917 -0.070) 0.923 2.208 ( -0.242 1.961 0.032) 1.977 2.623 ( -0.158 0.633 -0.309) 0.722 2.636 ( 0.096 -0.190 0.073) 0.225 2.696 ( -0.060 -1.103 0.032) 1.105 2.701 ( 0.091 0.110 -0.069) 0.159 2.776 ( 1.643 -0.987 2.123) 2.860 2.915 ( -2.228 -2.869 -2.896) 4.646 3.089 ( 0.059 2.301 2.150) 3.150 3.103 ( 0.551 -0.989 -1.526) 1.900 3.156 ( -0.965 0.067 1.825) 2.066 3.164 ( 0.854 0.705 -1.626) 1.967 3.321 ( 0.336 1.455 0.701) 1.649 3.341 ( -0.111 0.963 -0.400) 1.049 3.462 ( 0.324 -0.812 0.274) 0.916 3.531 ( -0.338 0.383 -0.337) 0.612 3.596 ( 0.046 -0.578 0.046) 0.582 3.647 ( -0.213 -0.118 -0.050) 0.249 3.690 ( 0.184 0.397 0.026) 0.439 3.787 ( 0.270 0.010 0.285) 0.392 3.804 ( -0.217 0.118 -0.242) 0.346 3.838 ( -0.095 -0.447 -0.062) 0.461 3.909 ( 0.163 -0.083 0.092) 0.205 3.925 ( -0.087 0.316 -0.050) 0.332 4.333 ( -0.111 -0.022 -0.070) 0.133 4.433 ( 0.127 0.031 0.022) 0.132 4.448 ( -0.126 -0.035 0.038) 0.136 4.457 ( 0.076 -0.046 -0.008) 0.089 4.940 ( 0.001 -1.106 -0.012) 1.106 5.011 ( -0.003 0.833 0.008) 0.833 11.550 ( -0.087 2.826 -0.005) 2.827 11.811 ( 0.095 -3.500 0.005) 3.501 14.066 ( -0.093 0.117 -0.006) 0.150 14.174 ( 0.083 0.347 0.005) 0.357 16.122 ( 0.001 -1.363 -0.000) 1.363 16.133 ( -0.001 1.374 0.000) 1.374 ======================= Grid point 21 (15/199) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.143 -1.359 0.000) 1.367 1.223 ( 0.186 0.710 0.125) 0.745 1.269 ( -0.307 0.374 -0.254) 0.546 1.400 ( 1.251 2.035 -2.250) 3.281 1.439 ( -1.701 0.164 -0.153) 1.715 1.511 ( -0.180 0.007 1.026) 1.041 1.528 ( -1.072 0.540 0.368) 1.256 1.609 ( 0.887 8.536 0.175) 8.584 1.681 ( -0.196 10.157 -0.654) 10.180 1.762 ( -1.068 2.091 -0.027) 2.348 1.802 ( 0.867 6.161 0.094) 6.222 1.892 ( 1.984 -0.483 1.069) 2.305 1.929 ( 0.098 -3.278 -0.183) 3.285 1.987 ( 0.879 3.853 2.021) 4.438 2.049 ( -2.360 0.835 -1.713) 3.033 2.199 ( -0.880 -3.090 -0.183) 3.218 2.277 ( -0.490 -6.932 -0.166) 6.951 2.602 ( 0.069 1.162 -0.029) 1.164 2.635 ( 0.554 1.467 -0.088) 1.571 2.651 ( -0.269 1.925 -1.222) 2.296 2.734 ( 0.307 0.404 0.571) 0.764 2.842 ( 3.063 -2.834 5.294) 6.741 2.871 ( 1.892 6.220 2.239) 6.876 3.024 ( -0.836 2.240 -3.123) 3.933 3.088 ( -1.937 5.731 -0.124) 6.051 3.160 ( 1.123 -1.863 -4.420) 4.926 3.183 ( -2.022 -1.788 3.173) 4.166 3.242 ( -0.520 4.224 -1.640) 4.561 3.296 ( -1.136 0.914 -0.947) 1.739 3.444 ( 1.065 2.965 1.201) 3.372 3.495 ( -0.514 2.425 -1.385) 2.840 3.625 ( 0.204 0.367 0.318) 0.527 3.629 ( 0.176 1.749 -0.545) 1.840 3.717 ( -0.434 -3.556 0.337) 3.598 3.775 ( 0.532 2.472 0.304) 2.546 3.799 ( -0.566 0.377 -0.303) 0.744 3.830 ( 0.328 0.068 0.382) 0.508 3.923 ( 0.006 -1.474 -0.109) 1.478 3.942 ( -0.159 -2.318 0.104) 2.325 4.323 ( -0.149 1.369 -0.156) 1.386 4.412 ( 0.574 1.696 -0.405) 1.836 4.444 ( -0.278 0.411 0.538) 0.732 4.466 ( 0.026 -0.422 -0.089) 0.432 4.957 ( 1.686 0.589 2.585) 3.142 5.009 ( -1.379 -1.635 -2.052) 2.964 11.366 ( -2.690 13.281 -0.151) 13.551 11.788 ( 3.914 7.456 0.200) 8.423 14.134 ( -0.391 -6.652 -0.239) 6.668 14.277 ( -0.428 -10.268 0.196) 10.279 16.084 ( 0.089 1.733 0.023) 1.735 16.187 ( -0.096 -3.600 -0.018) 3.601 ======================= Grid point 22 (16/199) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.072 -1.152 0.030) 1.155 1.204 ( 0.474 1.176 -0.079) 1.270 1.253 ( 0.568 1.924 0.316) 2.030 1.334 ( 4.640 7.373 -0.702) 8.740 1.402 ( -2.314 10.319 -0.675) 10.597 1.422 ( -4.153 6.949 1.715) 8.275 1.444 ( -0.184 4.540 -0.211) 4.549 1.511 ( 0.612 0.293 2.797) 2.878 1.536 ( -1.009 -0.822 -4.296) 4.489 1.640 ( 0.381 8.239 0.134) 8.249 1.700 ( 0.299 4.629 -0.380) 4.654 1.841 ( 0.582 6.869 -0.191) 6.896 1.896 ( -0.380 3.991 -0.179) 4.013 1.978 ( 0.524 -0.098 0.855) 1.007 2.019 ( -0.041 2.982 0.906) 3.117 2.276 ( -0.824 -4.397 -0.089) 4.475 2.413 ( 0.174 -5.622 0.246) 5.630 2.541 ( -0.329 4.992 -0.159) 5.005 2.574 ( 0.407 12.349 0.493) 12.366 2.599 ( 0.747 1.695 0.677) 1.972 2.640 ( -0.416 1.545 -1.316) 2.071 2.791 ( 0.756 1.603 -0.120) 1.777 2.872 ( -0.967 6.064 0.801) 6.193 2.934 ( 2.071 2.830 5.063) 6.159 3.006 ( -1.070 -0.295 -4.595) 4.727 3.168 ( 0.210 1.016 0.193) 1.055 3.200 ( 0.418 0.754 0.082) 0.866 3.228 ( -2.028 -1.643 -1.611) 3.067 3.277 ( -0.258 0.908 0.113) 0.950 3.361 ( 0.386 5.005 0.507) 5.045 3.461 ( 0.043 0.431 -1.016) 1.104 3.572 ( -0.061 4.303 -0.402) 4.322 3.603 ( -0.018 1.185 0.084) 1.188 3.690 ( 0.823 4.044 0.607) 4.171 3.765 ( -0.773 0.995 -0.389) 1.318 3.808 ( -0.039 -2.333 -0.114) 2.336 3.842 ( 0.078 -0.334 0.114) 0.362 3.996 ( 0.188 -5.705 0.380) 5.720 4.008 ( -0.098 -4.542 -0.052) 4.544 4.259 ( -0.427 4.999 0.155) 5.020 4.385 ( 1.473 0.856 -0.880) 1.917 4.434 ( -0.431 0.268 0.458) 0.684 4.467 ( -0.310 0.443 0.192) 0.574 4.945 ( 0.524 0.282 0.839) 1.029 5.056 ( -0.378 -2.990 -0.454) 3.048 11.050 ( -1.490 17.069 -0.130) 17.135 11.547 ( 2.745 17.152 0.201) 17.371 14.305 ( -0.736 -10.055 -0.390) 10.089 14.550 ( -0.071 -16.306 0.322) 16.309 16.071 ( -0.241 -0.655 0.048) 0.700 16.274 ( 0.283 -5.221 -0.041) 5.229 ======================= Grid point 23 (17/199) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.523 5.209 0.096) 5.236 1.063 ( 0.557 16.289 0.546) 16.307 1.091 ( -0.003 11.973 -0.411) 11.980 1.188 ( -0.167 0.900 0.365) 0.986 1.267 ( 6.815 3.822 -0.419) 7.824 1.315 ( -6.576 2.942 0.527) 7.224 1.418 ( -0.143 0.847 0.268) 0.900 1.465 ( 0.948 6.427 1.938) 6.779 1.513 ( 0.729 2.026 -0.901) 2.334 1.587 ( -0.173 -1.165 -0.661) 1.351 1.589 ( -1.358 5.083 -1.605) 5.500 1.691 ( -0.122 6.779 -0.268) 6.785 1.785 ( 0.004 6.966 -0.172) 6.968 1.853 ( -0.129 14.467 0.663) 14.483 1.928 ( 0.168 4.109 0.021) 4.112 2.329 ( 0.932 2.106 1.008) 2.514 2.358 ( -1.372 6.854 -1.157) 7.085 2.434 ( -0.045 3.617 0.313) 3.630 2.480 ( 0.297 -0.378 -0.321) 0.578 2.573 ( -0.059 1.333 0.688) 1.501 2.595 ( 0.128 2.374 -0.429) 2.416 2.701 ( -0.271 7.436 -0.561) 7.462 2.789 ( 0.421 -0.770 0.513) 1.017 2.902 ( 0.433 3.795 1.473) 4.094 3.015 ( -0.169 -1.017 -1.023) 1.452 3.133 ( 0.195 2.887 0.331) 2.913 3.174 ( -0.404 6.245 -0.436) 6.273 3.179 ( -0.367 1.941 -0.318) 2.001 3.246 ( -0.103 3.430 0.135) 3.434 3.287 ( -0.097 1.735 -0.187) 1.748 3.457 ( 0.267 -0.334 0.039) 0.429 3.509 ( 0.249 0.479 -0.260) 0.600 3.586 ( 0.106 0.476 -0.051) 0.490 3.637 ( 0.137 2.364 0.220) 2.378 3.708 ( -0.516 4.263 0.049) 4.294 3.810 ( 0.414 3.896 -0.095) 3.920 3.833 ( -0.312 1.189 -0.128) 1.236 4.063 ( 0.191 4.315 0.240) 4.326 4.110 ( 0.183 -5.556 0.071) 5.559 4.226 ( -0.345 -7.312 0.250) 7.324 4.403 ( 1.080 -2.422 -0.842) 2.782 4.438 ( 1.435 -0.535 -1.122) 1.899 4.453 ( -2.049 -0.130 1.698) 2.664 4.970 ( 0.050 -2.836 0.122) 2.839 5.117 ( -0.087 -3.291 -0.061) 3.292 10.679 ( -0.391 20.021 -0.047) 20.024 11.150 ( 1.172 22.681 0.133) 22.712 14.513 ( -0.696 -10.824 -0.443) 10.855 14.906 ( 0.157 -19.024 0.343) 19.027 16.117 ( -0.311 -4.182 0.100) 4.195 16.406 ( 0.368 -8.114 -0.084) 8.123 ======================= Grid point 24 (18/199) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -0.000 17.109 -0.000) 17.109 0.692 ( -0.000 19.727 -0.000) 19.727 0.998 ( -0.000 0.387 -0.000) 0.387 1.120 ( -0.000 11.891 -0.000) 11.891 1.174 ( -0.000 5.170 -0.000) 5.170 1.257 ( -0.000 5.389 -0.000) 5.389 1.261 ( -0.000 10.699 -0.000) 10.699 1.382 ( -0.000 3.473 -0.000) 3.473 1.435 ( -0.000 7.279 -0.000) 7.279 1.449 ( -0.000 3.145 -0.000) 3.145 1.595 ( -0.000 4.180 -0.000) 4.180 1.601 ( -0.000 2.867 -0.000) 2.867 1.654 ( 0.000 -0.166 0.000) 0.166 1.670 ( -0.000 2.268 -0.000) 2.268 1.873 ( -0.000 0.154 -0.000) 0.154 2.175 ( -0.000 10.944 -0.000) 10.944 2.217 ( -0.000 8.162 -0.000) 8.162 2.383 ( -0.000 3.981 -0.000) 3.981 2.413 ( -0.000 6.268 -0.000) 6.268 2.562 ( 0.000 -0.041 0.000) 0.041 2.585 ( 0.000 -0.772 0.000) 0.772 2.617 ( -0.000 1.079 -0.000) 1.079 2.795 ( -0.000 5.728 -0.000) 5.728 2.816 ( 0.000 -1.451 0.000) 1.451 2.980 ( -0.000 10.298 -0.000) 10.298 3.029 ( -0.000 7.177 -0.000) 7.177 3.041 ( 0.000 -1.545 0.000) 1.545 3.151 ( -0.000 5.256 -0.000) 5.256 3.178 ( 0.000 -1.083 0.000) 1.083 3.294 ( 0.000 -1.922 0.000) 1.922 3.454 ( -0.000 6.183 -0.000) 6.183 3.507 ( 0.000 -1.324 0.000) 1.324 3.573 ( -0.000 2.095 -0.000) 2.095 3.583 ( -0.000 2.218 -0.000) 2.218 3.592 ( -0.000 6.590 -0.000) 6.590 3.706 ( -0.000 4.605 -0.000) 4.605 3.718 ( -0.000 8.612 -0.000) 8.612 4.000 ( -0.000 0.461 -0.000) 0.461 4.210 ( 0.000 -4.174 0.000) 4.174 4.412 ( 0.000 -7.955 0.000) 7.955 4.424 ( -0.000 0.025 -0.000) 0.025 4.499 ( 0.000 -5.486 0.000) 5.486 4.513 ( 0.000 -5.972 0.000) 5.972 5.056 ( 0.000 -5.443 0.000) 5.443 5.195 ( 0.000 -4.719 0.000) 4.719 10.231 ( -0.000 24.946 -0.000) 24.946 10.680 ( -0.000 23.582 -0.000) 23.582 14.720 ( 0.000 -9.706 0.000) 9.706 15.300 ( 0.000 -19.869 0.000) 19.869 16.231 ( 0.000 -6.847 0.000) 6.847 16.599 ( 0.000 -10.785 0.000) 10.785 ======================= Grid point 27 (19/199) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.214 ( 14.429 -0.000 1.123) 14.472 0.231 ( 16.087 -0.000 -1.265) 16.136 0.395 ( 24.113 -0.000 13.768) 27.767 0.880 ( -4.763 0.000 -0.163) 4.766 1.025 ( -3.175 0.000 1.419) 3.477 1.099 ( 1.116 -0.000 -0.581) 1.258 1.134 ( 0.046 -0.000 0.123) 0.131 1.247 ( 0.393 -0.000 -0.271) 0.477 1.250 ( -3.011 0.000 -0.198) 3.018 1.463 ( -3.214 0.000 -1.820) 3.694 1.548 ( -2.657 0.000 -6.688) 7.196 1.623 ( 2.534 -0.000 -5.860) 6.385 1.727 ( 0.877 -0.000 5.921) 5.986 1.742 ( 0.858 -0.000 0.583) 1.038 1.828 ( 1.765 -0.000 -0.802) 1.939 1.836 ( -0.463 0.000 -0.450) 0.646 2.050 ( -0.032 0.000 0.102) 0.107 2.059 ( -5.378 0.000 -3.843) 6.610 2.351 ( -0.523 0.000 -0.976) 1.107 2.429 ( 0.922 -0.000 -1.807) 2.028 2.493 ( 0.973 -0.000 0.957) 1.365 2.609 ( -1.596 0.000 0.617) 1.711 2.676 ( -3.645 0.000 2.122) 4.218 2.753 ( -0.684 0.000 -0.066) 0.687 2.776 ( 0.586 -0.000 -0.072) 0.591 2.790 ( 0.484 -0.000 -0.243) 0.542 3.029 ( 0.158 -0.000 -1.350) 1.360 3.105 ( 0.821 -0.000 4.669) 4.741 3.126 ( -0.416 0.000 0.372) 0.558 3.228 ( 0.093 -0.000 -0.003) 0.093 3.236 ( 1.608 -0.000 -0.944) 1.865 3.259 ( -0.041 0.000 -0.012) 0.043 3.343 ( -0.069 0.000 0.094) 0.116 3.355 ( 0.017 -0.000 -0.078) 0.080 3.564 ( 3.952 -0.000 3.935) 5.577 3.609 ( 1.256 -0.000 0.098) 1.260 3.642 ( 2.729 -0.000 -7.671) 8.142 3.714 ( -0.059 0.000 -0.014) 0.060 4.313 ( -9.075 0.000 4.330) 10.055 4.489 ( 3.991 -0.000 0.814) 4.073 4.584 ( -0.756 0.000 -8.762) 8.795 4.654 ( -1.349 0.000 -0.221) 1.367 4.788 ( 0.907 -0.000 8.264) 8.314 5.227 ( 1.170 -0.000 1.951) 2.275 5.405 ( -2.338 0.000 3.610) 4.301 9.264 ( 1.732 -0.000 -0.042) 1.732 9.446 ( -1.710 0.000 0.039) 1.711 15.469 ( -12.918 0.000 47.234) 48.968 15.834 ( 1.202 -0.000 1.551) 1.962 16.608 ( 12.021 -0.000 -49.217) 50.663 16.896 ( -1.226 0.000 0.607) 1.368 ======================= Grid point 28 (20/199) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 9.784 -11.167 -3.323) 15.215 0.405 ( 9.906 -10.680 6.649) 16.012 0.771 ( 11.451 -22.972 3.496) 25.905 0.987 ( -5.339 -6.941 0.768) 8.791 1.015 ( -0.929 0.770 -0.854) 1.478 1.093 ( -1.053 -5.718 2.767) 6.439 1.195 ( -3.278 -0.660 -2.524) 4.189 1.264 ( -0.700 -5.103 1.028) 5.252 1.312 ( 0.282 -5.563 -0.189) 5.573 1.421 ( -0.863 0.893 -1.135) 1.682 1.514 ( -3.066 0.884 -4.165) 5.247 1.558 ( -1.505 -0.396 -0.787) 1.744 1.702 ( 1.890 1.859 1.413) 3.004 1.719 ( 2.572 1.500 3.375) 4.501 1.889 ( -2.376 1.137 -0.738) 2.735 1.963 ( 0.985 -9.944 -0.125) 9.994 2.038 ( -0.377 -7.968 -0.678) 8.006 2.214 ( -3.085 -9.568 -1.937) 10.238 2.341 ( 1.733 -1.506 0.321) 2.318 2.509 ( 2.056 -5.631 -0.214) 5.998 2.569 ( -3.625 1.694 -3.912) 5.596 2.601 ( -0.981 -0.372 1.008) 1.455 2.732 ( -0.926 1.586 -1.025) 2.104 2.808 ( -1.828 -5.166 0.385) 5.493 2.847 ( 0.447 -7.248 1.416) 7.398 2.909 ( 2.306 -3.596 0.873) 4.361 3.053 ( -1.478 -2.044 1.204) 2.795 3.091 ( -0.168 1.414 0.267) 1.449 3.171 ( -3.295 -5.883 -1.969) 7.025 3.212 ( 0.918 1.233 0.079) 1.539 3.371 ( 2.192 -7.203 1.143) 7.615 3.420 ( -1.053 -7.489 -0.056) 7.562 3.433 ( 0.485 -7.642 -0.197) 7.659 3.558 ( -3.383 -0.376 0.507) 3.442 3.593 ( 5.696 -0.715 4.653) 7.390 3.623 ( -1.217 -1.556 3.136) 3.706 3.681 ( -0.513 -0.334 -2.700) 2.769 3.807 ( -9.498 -12.877 -8.676) 18.202 4.222 ( -6.179 3.713 0.296) 7.215 4.464 ( 2.612 2.522 -0.146) 3.634 4.520 ( 0.249 4.267 -2.084) 4.755 4.604 ( -0.957 3.951 -0.568) 4.104 4.689 ( 2.691 7.983 2.688) 8.843 5.170 ( 0.528 5.241 0.983) 5.358 5.310 ( 0.029 5.905 0.612) 5.937 9.718 ( -0.503 -24.054 -0.060) 24.059 10.028 ( -16.489 -34.769 -3.868) 38.675 15.067 ( 9.969 18.137 13.847) 24.901 15.653 ( 0.426 15.711 -4.266) 16.285 16.413 ( 6.308 8.809 -8.279) 13.636 16.788 ( -2.468 9.101 2.601) 9.782 ======================= Grid point 29 (21/199) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 5.054 -15.139 -1.513) 16.032 0.719 ( 4.002 -16.317 1.643) 16.881 0.996 ( -1.346 -0.350 -1.277) 1.888 1.032 ( -6.395 -5.213 0.095) 8.251 1.163 ( -1.048 -2.603 -3.004) 4.111 1.246 ( -3.678 -6.589 0.433) 7.559 1.293 ( 4.124 -14.453 1.062) 15.068 1.388 ( 0.738 -4.438 1.286) 4.679 1.405 ( -1.822 -2.328 -0.446) 2.989 1.461 ( 2.755 -7.562 -1.332) 8.157 1.553 ( -1.322 -8.404 -1.989) 8.737 1.628 ( -1.849 -7.038 2.718) 7.768 1.679 ( 1.944 1.439 0.188) 2.426 1.708 ( 2.381 0.720 3.466) 4.267 1.862 ( -1.114 -1.030 0.115) 1.522 2.184 ( 1.119 -9.920 -0.218) 9.985 2.237 ( 0.915 -9.842 1.176) 9.954 2.340 ( -2.509 -4.081 -1.880) 5.146 2.441 ( 1.842 -6.556 0.765) 6.852 2.532 ( -2.031 0.678 -1.231) 2.470 2.575 ( -1.416 -2.347 -1.564) 3.156 2.611 ( 0.245 -0.364 -0.843) 0.950 2.732 ( -1.628 -1.765 -1.841) 3.026 2.868 ( 1.643 -0.543 2.610) 3.132 2.993 ( -1.546 -7.120 -1.160) 7.377 3.039 ( 1.712 -3.877 0.533) 4.272 3.064 ( 2.252 -4.407 2.399) 5.500 3.149 ( -0.326 -5.500 0.653) 5.549 3.189 ( 0.793 1.092 0.539) 1.453 3.251 ( -2.284 -3.053 -1.876) 4.249 3.464 ( -0.201 0.609 -3.751) 3.805 3.484 ( -1.719 -1.205 4.687) 5.136 3.575 ( -0.056 -1.271 1.251) 1.784 3.586 ( 0.663 -4.465 -1.315) 4.702 3.650 ( 3.980 -3.354 0.252) 5.211 3.685 ( -0.907 -5.512 -0.002) 5.586 3.746 ( 1.510 -7.540 2.283) 8.021 3.928 ( -4.768 -4.510 -3.836) 7.602 4.166 ( -3.279 0.959 -0.265) 3.427 4.400 ( -0.390 6.851 -0.589) 6.888 4.432 ( 0.288 1.432 -0.174) 1.471 4.494 ( -0.399 8.815 1.438) 8.940 4.536 ( 1.432 4.822 -0.966) 5.122 5.056 ( 0.003 5.576 -0.026) 5.576 5.201 ( 0.350 4.771 0.458) 4.806 10.240 ( 0.885 -25.526 -0.078) 25.542 10.591 ( -6.394 -27.335 -0.992) 28.090 14.805 ( 5.164 13.197 4.803) 14.963 15.277 ( -1.137 19.796 -3.116) 20.072 16.259 ( 2.643 7.696 -1.818) 8.337 16.572 ( -2.424 10.582 1.262) 10.929 ======================= Grid point 30 (22/199) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 2.521 -1.930 -0.735) 3.259 1.023 ( -1.678 -14.341 -1.586) 14.526 1.090 ( -0.953 -8.828 0.652) 8.904 1.132 ( -5.364 -7.721 1.293) 9.490 1.213 ( 2.881 -5.190 -1.197) 6.056 1.373 ( -4.695 -7.465 -1.949) 9.031 1.404 ( 1.191 -0.138 -0.964) 1.539 1.451 ( 3.322 -4.575 -2.734) 6.281 1.519 ( 0.834 -6.236 1.685) 6.513 1.608 ( 0.502 -1.915 3.180) 3.746 1.642 ( 0.716 0.299 3.567) 3.651 1.701 ( 0.212 -4.224 0.600) 4.271 1.789 ( -0.198 -8.070 1.589) 8.228 1.854 ( 1.212 -11.398 -3.413) 11.960 1.917 ( -0.652 -3.986 -0.036) 4.039 2.303 ( -0.481 -3.374 -0.783) 3.496 2.418 ( 2.642 -6.055 1.366) 6.746 2.427 ( -0.410 -4.695 -1.091) 4.838 2.473 ( -0.386 0.157 1.380) 1.442 2.559 ( -0.483 1.016 -1.736) 2.069 2.607 ( 0.812 -4.817 2.058) 5.301 2.703 ( -1.857 -6.572 -1.160) 6.927 2.763 ( 0.081 -3.566 -1.323) 3.804 2.872 ( -0.473 0.898 -1.866) 2.125 3.033 ( 0.161 -0.414 3.201) 3.231 3.107 ( -1.479 -3.336 -2.481) 4.412 3.179 ( 0.155 -0.911 0.259) 0.960 3.220 ( 1.243 -4.456 0.340) 4.639 3.257 ( 1.262 -4.173 -1.080) 4.492 3.309 ( 1.930 -2.488 3.238) 4.517 3.432 ( -2.137 -1.015 -0.350) 2.391 3.500 ( -0.571 -1.264 0.789) 1.596 3.583 ( -0.190 -0.291 0.356) 0.498 3.632 ( 0.042 -1.106 -0.756) 1.340 3.733 ( 1.275 -3.346 -0.209) 3.587 3.794 ( -0.791 -4.060 0.223) 4.143 3.844 ( 0.129 -0.972 0.459) 1.083 4.047 ( -0.640 -6.646 -0.907) 6.738 4.097 ( -0.663 5.651 -0.286) 5.697 4.249 ( 2.154 6.836 -1.656) 7.356 4.349 ( -3.954 2.781 2.949) 5.663 4.429 ( 0.027 -0.728 0.021) 0.728 4.485 ( 1.279 1.457 -1.260) 2.313 4.965 ( -0.157 3.300 -0.426) 3.332 5.124 ( 0.301 3.243 0.206) 3.263 10.710 ( 2.241 -21.322 0.259) 21.441 11.068 ( -5.103 -22.170 -0.566) 22.757 14.566 ( 2.811 12.443 1.918) 12.900 14.888 ( -0.864 18.209 -1.557) 18.295 16.137 ( 1.369 4.802 -0.432) 5.012 16.383 ( -1.574 7.444 0.372) 7.618 ======================= Grid point 31 (23/199) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.138 1.921 -0.041) 1.926 1.191 ( -0.569 -2.096 0.148) 2.177 1.231 ( -0.788 -4.947 0.982) 5.104 1.265 ( -2.305 -9.391 -0.837) 9.706 1.409 ( 0.531 -4.616 -2.175) 5.131 1.444 ( 0.131 -8.147 1.140) 8.228 1.490 ( -0.124 -4.571 -1.480) 4.807 1.570 ( 6.606 -2.729 1.047) 7.223 1.588 ( 1.707 0.927 3.137) 3.690 1.625 ( -0.902 -7.365 0.785) 7.461 1.688 ( -1.354 -4.031 0.929) 4.353 1.799 ( -3.063 -3.941 -0.640) 5.032 1.920 ( 0.840 -3.716 1.361) 4.045 1.944 ( -0.862 -0.276 -3.617) 3.728 2.017 ( 0.185 -5.693 -0.822) 5.755 2.312 ( 2.006 3.509 0.298) 4.052 2.400 ( -0.798 4.237 -0.572) 4.349 2.554 ( -0.103 -5.994 0.074) 5.996 2.557 ( 0.005 -4.382 -0.447) 4.404 2.574 ( -0.816 -4.984 -0.349) 5.063 2.662 ( 0.536 -0.803 2.330) 2.523 2.766 ( -1.415 -2.813 -1.498) 3.487 2.818 ( -1.761 3.361 -4.135) 5.612 2.952 ( 2.512 -11.170 0.494) 11.460 3.039 ( 0.190 0.276 3.794) 3.809 3.150 ( -1.125 -1.690 -1.326) 2.425 3.187 ( -0.431 0.107 -0.178) 0.478 3.285 ( 0.523 -0.670 -0.100) 0.856 3.302 ( 2.471 -0.256 1.534) 2.919 3.344 ( -0.609 -3.706 -0.750) 3.830 3.468 ( -0.110 -1.672 2.152) 2.727 3.581 ( 0.352 -4.156 0.738) 4.236 3.597 ( -0.441 -1.273 -0.127) 1.353 3.671 ( -0.136 -4.210 -0.681) 4.267 3.785 ( 0.566 -1.531 0.283) 1.657 3.810 ( -0.060 2.501 0.222) 2.511 3.838 ( -0.115 0.814 -0.191) 0.844 3.986 ( -0.388 3.964 -0.648) 4.035 4.011 ( 0.124 5.859 0.009) 5.861 4.280 ( 1.704 -4.512 -0.706) 4.874 4.339 ( -2.864 -2.360 1.364) 3.954 4.443 ( 0.410 -0.348 -0.225) 0.583 4.473 ( 0.217 0.288 -0.328) 0.487 4.922 ( -0.728 0.960 -1.214) 1.710 5.071 ( 0.475 2.212 0.535) 2.325 11.123 ( 4.761 -18.899 0.392) 19.493 11.428 ( -6.907 -15.743 -0.511) 17.199 14.335 ( 1.284 11.281 0.748) 11.378 14.549 ( 0.076 15.361 -0.635) 15.374 16.080 ( 0.462 1.305 -0.091) 1.387 16.263 ( -0.533 4.431 0.079) 4.464 ======================= Grid point 32 (24/199) ======================= q-point: ( 0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -0.148 1.333 -0.003) 1.341 1.218 ( -0.148 -0.965 -0.091) 0.981 1.280 ( 0.368 -0.414 0.164) 0.578 1.403 ( 0.160 -4.861 2.624) 5.526 1.450 ( -0.413 0.482 -1.097) 1.268 1.515 ( 0.437 -0.863 0.158) 0.980 1.535 ( -0.864 -0.638 -0.335) 1.125 1.636 ( 4.333 -2.935 -0.393) 5.248 1.697 ( 0.336 -7.640 1.137) 7.732 1.749 ( -3.361 -2.942 0.110) 4.468 1.788 ( 0.275 -5.103 -0.550) 5.139 1.837 ( -1.607 -4.052 -1.015) 4.476 1.924 ( -0.115 2.275 -0.213) 2.288 1.976 ( 0.218 -2.255 -0.918) 2.445 2.098 ( 1.218 -1.355 0.726) 1.961 2.218 ( 0.478 5.304 -0.008) 5.326 2.298 ( 0.898 5.223 0.480) 5.321 2.606 ( 0.489 -1.925 0.507) 2.050 2.623 ( -0.651 -2.402 -0.177) 2.494 2.665 ( 0.136 -0.388 2.006) 2.048 2.715 ( -0.264 -0.677 -0.809) 1.087 2.757 ( -2.548 -2.971 -4.467) 5.939 2.811 ( -1.315 -2.084 -1.304) 2.788 3.049 ( 0.336 -1.798 1.280) 2.232 3.136 ( 2.368 -3.042 -1.127) 4.016 3.157 ( -0.658 0.623 2.512) 2.670 3.180 ( -1.038 -0.106 -1.116) 1.528 3.279 ( 0.972 -2.582 1.514) 3.147 3.349 ( 2.344 -0.450 1.800) 2.990 3.410 ( -1.258 -3.634 -1.184) 4.024 3.511 ( 0.278 -1.982 1.194) 2.330 3.614 ( -0.404 0.062 -0.438) 0.599 3.628 ( -0.141 -1.430 0.390) 1.489 3.729 ( 0.539 3.653 -0.179) 3.696 3.768 ( 0.013 -3.184 0.074) 3.185 3.810 ( 0.295 0.061 -0.364) 0.472 3.816 ( -0.547 0.009 -0.087) 0.554 3.925 ( 0.107 2.010 0.132) 2.017 3.943 ( -0.021 1.381 -0.172) 1.391 4.325 ( -0.062 -0.848 0.080) 0.854 4.403 ( -0.218 -2.923 0.275) 2.944 4.446 ( 0.139 -0.013 -0.323) 0.352 4.466 ( -0.067 0.472 0.053) 0.479 4.916 ( -0.866 -0.702 -1.342) 1.744 5.038 ( 0.542 1.474 0.787) 1.756 11.474 ( 7.126 -12.132 0.384) 14.075 11.647 ( -8.323 -9.794 -0.430) 12.860 14.145 ( 0.259 7.448 0.225) 7.456 14.289 ( 0.529 10.201 -0.184) 10.216 16.082 ( -0.085 -1.287 -0.022) 1.290 16.190 ( 0.093 3.123 0.017) 3.125 ======================= Grid point 33 (25/199) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.006 -0.172 -0.006) 0.172 1.229 ( 0.010 -0.163 -0.005) 0.164 1.276 ( 0.026 0.494 0.013) 0.495 1.416 ( -0.085 1.041 -0.086) 1.048 1.468 ( -0.168 0.205 0.280) 0.386 1.508 ( 0.238 0.761 -0.012) 0.797 1.533 ( -0.066 0.079 -0.200) 0.225 1.711 ( 2.226 -1.552 -0.033) 2.714 1.753 ( -3.284 -0.236 -0.145) 3.295 1.820 ( 0.116 0.318 0.186) 0.386 1.835 ( 1.153 -1.267 0.195) 1.723 1.864 ( -0.068 0.253 -0.192) 0.325 1.919 ( -0.114 -0.499 -0.003) 0.512 1.997 ( 0.005 -0.695 -0.034) 0.696 2.086 ( 0.078 2.123 0.037) 2.125 2.170 ( 0.076 -1.704 -0.074) 1.707 2.207 ( -0.249 3.500 0.036) 3.509 2.621 ( -0.126 0.895 -0.263) 0.942 2.637 ( 0.071 -0.195 0.044) 0.212 2.695 ( -0.099 -2.387 0.005) 2.389 2.702 ( 0.129 0.930 -0.042) 0.940 2.796 ( 2.428 -1.776 3.096) 4.317 2.890 ( -2.940 -4.625 -3.760) 6.646 3.092 ( -0.139 3.739 2.067) 4.275 3.105 ( 0.691 -2.023 -1.596) 2.668 3.153 ( -0.622 0.610 1.166) 1.456 3.167 ( 0.490 0.817 -0.938) 1.337 3.325 ( 0.405 2.455 0.910) 2.649 3.339 ( -0.183 1.720 -0.612) 1.835 3.465 ( 0.363 -1.424 0.310) 1.502 3.528 ( -0.375 0.678 -0.371) 0.859 3.596 ( 0.045 -0.989 0.045) 0.991 3.646 ( -0.199 -0.165 -0.047) 0.263 3.691 ( 0.169 0.652 0.023) 0.674 3.790 ( 0.402 0.086 0.423) 0.590 3.802 ( -0.352 0.116 -0.384) 0.533 3.837 ( -0.089 -0.739 -0.057) 0.746 3.911 ( 0.178 -0.232 0.100) 0.309 3.924 ( -0.104 0.622 -0.059) 0.634 4.332 ( -0.110 -0.040 -0.069) 0.136 4.434 ( 0.137 0.042 0.019) 0.144 4.447 ( -0.128 -0.041 0.037) 0.140 4.458 ( 0.068 -0.089 -0.005) 0.112 4.940 ( 0.001 -1.916 -0.012) 1.916 5.011 ( -0.003 1.442 0.008) 1.442 11.550 ( -0.087 4.865 -0.005) 4.866 11.812 ( 0.095 -6.033 0.005) 6.033 14.065 ( -0.092 0.207 -0.006) 0.226 14.175 ( 0.082 0.599 0.005) 0.604 16.122 ( 0.001 -2.363 -0.000) 2.363 16.133 ( -0.001 2.382 0.000) 2.382 ======================= Grid point 34 (26/199) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.052 -1.362 -0.000) 1.363 1.224 ( 0.072 0.666 0.050) 0.672 1.267 ( -0.109 0.310 -0.100) 0.343 1.406 ( 1.116 0.450 -1.184) 1.688 1.427 ( -1.354 1.913 0.311) 2.364 1.512 ( -0.061 -0.279 0.416) 0.505 1.524 ( -0.358 0.802 0.124) 0.887 1.614 ( 0.416 8.954 0.000) 8.964 1.680 ( -0.005 10.572 -0.194) 10.574 1.756 ( -0.497 1.546 0.007) 1.624 1.806 ( 0.302 6.306 0.021) 6.313 1.903 ( 0.747 -0.811 0.473) 1.200 1.929 ( 0.013 -3.646 -0.187) 3.651 1.997 ( 0.927 5.525 1.313) 5.754 2.032 ( -1.470 -0.525 -1.185) 1.960 2.194 ( -0.342 -2.817 -0.074) 2.839 2.275 ( -0.158 -7.156 -0.045) 7.158 2.603 ( 0.034 1.076 0.008) 1.076 2.638 ( 0.314 0.327 0.020) 0.454 2.647 ( -0.203 3.088 -0.486) 3.133 2.736 ( 0.077 0.335 0.171) 0.384 2.868 ( 1.932 -2.441 3.172) 4.445 2.881 ( 0.165 4.887 0.062) 4.891 3.014 ( -0.461 2.745 -1.533) 3.178 3.078 ( -0.770 6.032 -0.144) 6.083 3.160 ( 0.596 -2.433 -2.653) 3.649 3.175 ( -1.148 -0.842 2.091) 2.529 3.239 ( -0.052 4.217 -0.493) 4.246 3.290 ( -0.373 0.835 -0.326) 0.971 3.451 ( 0.461 3.012 0.551) 3.097 3.490 ( -0.265 2.364 -0.617) 2.458 3.626 ( 0.057 0.554 0.114) 0.568 3.630 ( 0.071 1.709 -0.213) 1.724 3.715 ( -0.147 -3.695 0.138) 3.700 3.779 ( 0.296 2.834 0.169) 2.855 3.795 ( -0.300 0.045 -0.168) 0.346 3.832 ( 0.111 0.123 0.136) 0.214 3.923 ( 0.009 -1.350 -0.040) 1.351 3.941 ( -0.069 -2.494 0.036) 2.495 4.322 ( -0.065 1.429 -0.061) 1.431 4.414 ( 0.241 1.482 -0.172) 1.511 4.443 ( -0.121 0.463 0.227) 0.529 4.466 ( 0.006 -0.375 -0.036) 0.377 4.971 ( 1.229 1.293 1.871) 2.585 4.996 ( -1.117 -2.388 -1.677) 3.125 11.354 ( -0.908 13.379 -0.051) 13.410 11.806 ( 1.358 7.138 0.069) 7.267 14.132 ( -0.153 -6.523 -0.088) 6.525 14.275 ( -0.149 -10.263 0.072) 10.264 16.085 ( 0.033 1.820 0.008) 1.820 16.187 ( -0.035 -3.693 -0.007) 3.693 ======================= Grid point 35 (27/199) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.000 -1.082 0.000) 1.082 1.206 ( -0.000 1.010 -0.000) 1.010 1.255 ( -0.000 1.878 -0.000) 1.878 1.365 ( -0.000 9.902 -0.000) 9.902 1.372 ( -0.000 2.963 -0.000) 2.963 1.413 ( -0.000 11.162 -0.000) 11.162 1.444 ( -0.000 5.372 -0.000) 5.372 1.519 ( -0.000 0.293 -0.000) 0.293 1.526 ( 0.000 -1.089 0.000) 1.089 1.642 ( -0.000 8.229 -0.000) 8.229 1.701 ( -0.000 4.652 -0.000) 4.652 1.843 ( -0.000 7.285 -0.000) 7.285 1.895 ( -0.000 3.873 -0.000) 3.873 1.981 ( 0.000 -0.051 0.000) 0.051 2.020 ( -0.000 2.678 -0.000) 2.678 2.273 ( 0.000 -4.487 0.000) 4.487 2.413 ( 0.000 -5.752 0.000) 5.752 2.540 ( -0.000 5.090 -0.000) 5.090 2.576 ( -0.000 12.853 -0.000) 12.853 2.602 ( -0.000 1.341 -0.000) 1.341 2.637 ( -0.000 1.693 -0.000) 1.693 2.793 ( -0.000 1.537 -0.000) 1.537 2.868 ( -0.000 7.282 -0.000) 7.282 2.949 ( -0.000 2.059 -0.000) 2.059 2.996 ( 0.000 -0.595 0.000) 0.595 3.169 ( -0.000 1.021 -0.000) 1.021 3.202 ( -0.000 0.837 -0.000) 0.837 3.219 ( 0.000 -1.845 0.000) 1.845 3.276 ( -0.000 0.825 -0.000) 0.825 3.363 ( -0.000 5.118 -0.000) 5.118 3.460 ( -0.000 0.322 -0.000) 0.322 3.572 ( -0.000 4.312 -0.000) 4.312 3.603 ( -0.000 1.168 -0.000) 1.168 3.693 ( -0.000 4.080 -0.000) 4.080 3.761 ( -0.000 0.879 -0.000) 0.879 3.808 ( 0.000 -2.284 0.000) 2.284 3.842 ( 0.000 -0.300 0.000) 0.300 3.997 ( 0.000 -6.021 0.000) 6.021 4.008 ( 0.000 -4.275 0.000) 4.275 4.258 ( -0.000 5.022 -0.000) 5.022 4.389 ( -0.000 0.691 -0.000) 0.691 4.433 ( -0.000 0.274 -0.000) 0.274 4.466 ( -0.000 0.542 -0.000) 0.542 4.948 ( -0.000 0.447 -0.000) 0.447 5.054 ( 0.000 -3.111 0.000) 3.111 11.044 ( -0.000 16.952 -0.000) 16.952 11.557 ( -0.000 17.228 -0.000) 17.228 14.302 ( 0.000 -9.949 0.000) 9.949 14.550 ( 0.000 -16.385 0.000) 16.385 16.070 ( 0.000 -0.598 0.000) 0.598 16.275 ( 0.000 -5.293 0.000) 5.293 ======================= Grid point 40 (28/199) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( 13.368 -0.000 0.930) 13.400 0.336 ( 14.599 -0.000 -1.417) 14.668 0.582 ( 22.530 -0.000 13.321) 26.174 0.841 ( -6.340 0.000 -0.209) 6.343 1.006 ( -3.136 0.000 1.922) 3.678 1.101 ( 0.007 -0.000 -1.155) 1.155 1.135 ( 0.061 -0.000 0.147) 0.159 1.225 ( -3.914 0.000 0.005) 3.914 1.249 ( 0.373 -0.000 -0.299) 0.478 1.438 ( -3.276 0.000 -0.822) 3.377 1.512 ( -4.292 0.000 -6.544) 7.826 1.628 ( 1.401 -0.000 -4.494) 4.708 1.745 ( 1.349 -0.000 6.311) 6.453 1.750 ( 1.055 -0.000 0.731) 1.284 1.832 ( -0.611 0.000 -0.583) 0.845 1.839 ( 1.881 -0.000 -1.111) 2.185 2.009 ( -6.396 0.000 -5.246) 8.273 2.050 ( -0.131 0.000 0.066) 0.147 2.346 ( -0.353 0.000 -0.939) 1.004 2.433 ( 0.923 -0.000 -0.320) 0.977 2.501 ( 0.941 -0.000 0.954) 1.340 2.597 ( -2.131 0.000 0.651) 2.228 2.655 ( -2.480 0.000 -0.733) 2.586 2.748 ( -0.590 0.000 -0.068) 0.594 2.779 ( 0.485 -0.000 -0.087) 0.492 2.794 ( 0.531 -0.000 -0.067) 0.536 3.027 ( 0.021 -0.000 -1.390) 1.390 3.115 ( 0.181 -0.000 1.581) 1.591 3.127 ( 0.173 -0.000 3.134) 3.139 3.229 ( 0.111 -0.000 -0.004) 0.111 3.245 ( 1.454 -0.000 -0.405) 1.510 3.259 ( -0.048 0.000 -0.014) 0.050 3.343 ( -0.078 0.000 0.106) 0.132 3.355 ( 0.018 -0.000 -0.087) 0.089 3.577 ( -0.673 0.000 0.839) 1.075 3.635 ( 2.744 -0.000 0.656) 2.821 3.661 ( 7.133 -0.000 -1.036) 7.208 3.713 ( -0.068 0.000 -0.015) 0.070 4.253 ( -9.262 0.000 0.248) 9.265 4.514 ( 2.583 -0.000 -0.963) 2.756 4.567 ( -0.400 0.000 -4.503) 4.521 4.644 ( -1.421 0.000 0.240) 1.441 4.807 ( 1.182 -0.000 5.105) 5.240 5.240 ( 1.563 -0.000 2.541) 2.983 5.393 ( -2.215 0.000 1.003) 2.432 9.278 ( 2.371 -0.000 -0.057) 2.372 9.432 ( -2.347 0.000 0.054) 2.347 15.458 ( -7.897 0.000 26.127) 27.294 15.845 ( 1.237 -0.000 1.542) 1.977 16.609 ( 7.005 -0.000 -28.176) 29.034 16.888 ( -1.408 0.000 0.703) 1.574 ======================= Grid point 41 (29/199) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 10.104 -9.139 -3.119) 13.976 0.493 ( 11.255 -7.837 7.641) 15.700 0.842 ( 5.445 -15.713 -0.857) 16.651 0.962 ( -0.359 -9.304 3.340) 9.892 1.004 ( -2.284 -0.693 0.351) 2.412 1.090 ( -1.109 -3.951 2.626) 4.872 1.169 ( -2.759 -1.335 -2.700) 4.085 1.258 ( -1.728 -5.132 1.458) 5.608 1.314 ( 0.364 -5.351 -0.136) 5.365 1.414 ( -0.604 -0.556 -1.528) 1.734 1.481 ( -3.713 0.199 -5.338) 6.506 1.549 ( -0.999 0.871 0.294) 1.357 1.715 ( 1.149 1.899 1.328) 2.586 1.744 ( 2.721 1.171 3.416) 4.522 1.869 ( -2.965 1.199 -1.389) 3.487 1.971 ( 1.366 -10.000 0.088) 10.093 2.033 ( -0.769 -9.120 -0.941) 9.200 2.191 ( -2.520 -9.688 -1.829) 10.176 2.355 ( 2.103 -1.779 0.611) 2.821 2.517 ( 0.154 -2.852 -1.250) 3.118 2.538 ( -3.048 0.869 -3.211) 4.512 2.603 ( 0.931 -1.974 1.672) 2.749 2.722 ( -1.743 1.364 -0.461) 2.261 2.791 ( -2.507 -6.523 -0.500) 7.006 2.854 ( 0.649 -8.033 1.386) 8.178 2.928 ( 2.752 -4.583 0.767) 5.401 3.042 ( -2.292 -3.006 0.886) 3.883 3.090 ( -0.148 1.422 -0.123) 1.435 3.151 ( -1.822 -3.586 -0.828) 4.107 3.219 ( 0.867 1.223 0.326) 1.534 3.384 ( 1.287 -7.573 -0.447) 7.694 3.410 ( -1.797 -7.157 0.096) 7.379 3.437 ( 0.811 -8.154 -0.396) 8.204 3.525 ( -5.646 -4.958 1.472) 7.657 3.607 ( -2.265 -3.708 3.137) 5.360 3.656 ( 5.439 -0.444 4.984) 7.390 3.676 ( 2.640 -0.375 -4.429) 5.170 3.751 ( -3.605 -8.225 -5.065) 10.310 4.174 ( -7.033 2.825 -1.195) 7.672 4.478 ( 1.385 2.924 -0.484) 3.272 4.519 ( 0.469 4.436 -1.587) 4.734 4.597 ( -0.872 3.542 -0.333) 3.663 4.710 ( 2.030 8.523 2.166) 9.026 5.176 ( 0.668 5.839 1.129) 5.985 5.310 ( -0.205 5.536 0.314) 5.548 9.714 ( -0.417 -24.827 -0.060) 24.830 9.921 ( -12.150 -37.911 -2.794) 39.908 15.148 ( 6.486 19.063 12.236) 23.562 15.649 ( 0.641 16.761 -4.247) 17.303 16.442 ( 5.695 9.715 -7.847) 13.725 16.775 ( -2.527 9.360 2.755) 10.080 ======================= Grid point 42 (30/199) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 5.331 -14.003 -1.735) 15.083 0.759 ( 5.675 -13.905 3.005) 15.317 0.961 ( -6.533 -3.942 -3.725) 8.491 1.004 ( -3.110 -1.792 2.085) 4.151 1.151 ( -0.366 -3.229 -3.921) 5.093 1.219 ( -4.037 -5.404 1.211) 6.853 1.323 ( 3.741 -12.315 -0.405) 12.876 1.391 ( -2.014 -4.316 1.456) 4.981 1.401 ( 1.937 -4.837 1.488) 5.419 1.476 ( 1.370 -5.197 -1.355) 5.542 1.546 ( 0.474 -10.596 -2.135) 10.820 1.616 ( -2.510 -8.438 1.819) 8.989 1.693 ( 1.648 1.061 0.968) 2.186 1.728 ( 1.791 1.504 2.507) 3.428 1.853 ( -1.249 -1.689 0.090) 2.102 2.193 ( 1.593 -9.730 0.132) 9.861 2.243 ( 0.177 -10.666 0.997) 10.714 2.320 ( -2.033 -3.799 -1.985) 4.744 2.457 ( 2.110 -6.844 1.118) 7.248 2.517 ( -1.649 0.506 -1.116) 2.054 2.558 ( -2.623 -4.388 -1.650) 5.371 2.613 ( 0.772 1.677 -1.367) 2.297 2.722 ( -0.802 -1.353 -0.521) 1.657 2.884 ( 1.529 -0.319 2.805) 3.211 2.978 ( -1.928 -7.039 -1.869) 7.534 3.046 ( 0.406 -0.925 0.252) 1.041 3.089 ( 3.396 -6.979 1.484) 7.902 3.147 ( -0.512 -5.661 1.085) 5.786 3.196 ( 0.853 0.734 0.656) 1.303 3.234 ( -1.745 -4.596 -1.262) 5.076 3.449 ( -2.053 1.516 -2.933) 3.888 3.486 ( -0.126 -1.594 3.160) 3.541 3.577 ( 0.063 -1.371 1.034) 1.718 3.588 ( 0.639 -4.214 -1.241) 4.439 3.671 ( 0.234 -4.665 2.095) 5.119 3.686 ( 2.430 -2.597 -1.773) 3.974 3.763 ( 1.987 -7.451 3.167) 8.336 3.887 ( -4.755 -6.144 -4.211) 8.837 4.143 ( -2.980 -0.719 -0.335) 3.084 4.397 ( -0.355 6.924 -0.387) 6.944 4.433 ( 0.284 1.468 -0.267) 1.519 4.494 ( -0.206 9.407 1.004) 9.463 4.543 ( 0.975 4.984 -0.614) 5.115 5.056 ( 0.014 5.668 -0.011) 5.668 5.204 ( 0.292 4.774 0.381) 4.798 10.246 ( 1.021 -25.838 -0.055) 25.858 10.546 ( -5.593 -28.797 -0.823) 29.347 14.847 ( 4.456 14.551 4.424) 15.848 15.264 ( -1.159 19.798 -3.017) 20.060 16.274 ( 2.467 8.105 -1.691) 8.639 16.557 ( -2.276 10.481 1.214) 10.794 ======================= Grid point 43 (31/199) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 2.107 -0.186 -0.770) 2.251 1.011 ( -0.811 -13.475 -1.087) 13.543 1.080 ( -2.211 -8.313 0.286) 8.606 1.104 ( -2.781 -9.108 1.158) 9.593 1.235 ( 3.774 -6.855 -0.558) 7.845 1.336 ( -4.846 -7.866 -1.421) 9.347 1.408 ( 0.579 -0.167 -0.836) 1.030 1.466 ( 1.938 -5.428 -1.646) 5.994 1.529 ( 1.324 -5.955 0.760) 6.148 1.616 ( 0.231 -4.062 2.621) 4.840 1.650 ( 0.149 0.573 2.522) 2.591 1.702 ( 0.079 -1.914 0.241) 1.931 1.789 ( -0.349 -8.692 1.288) 8.794 1.858 ( 1.217 -9.961 -2.630) 10.374 1.913 ( -0.523 -3.964 0.013) 3.999 2.300 ( -0.224 -3.243 -0.439) 3.280 2.422 ( -0.403 -5.034 -0.872) 5.125 2.436 ( 1.936 -6.969 0.963) 7.297 2.473 ( -0.089 0.315 1.099) 1.147 2.554 ( -0.384 1.907 -1.086) 2.228 2.618 ( 1.307 -5.044 2.404) 5.738 2.682 ( -2.702 -6.148 -2.849) 7.295 2.765 ( 0.545 -5.298 -0.339) 5.337 2.868 ( -0.183 2.042 -0.869) 2.227 3.040 ( 0.259 -0.583 3.171) 3.235 3.092 ( -1.446 -3.599 -2.857) 4.817 3.180 ( 0.145 -0.582 0.162) 0.621 3.225 ( 0.454 -4.003 -0.022) 4.029 3.263 ( 0.856 -3.943 -1.003) 4.157 3.333 ( 3.096 -2.579 3.330) 5.228 3.414 ( -2.819 -2.055 -0.726) 3.563 3.498 ( -0.288 -1.362 0.510) 1.482 3.582 ( -0.092 -0.084 0.306) 0.330 3.631 ( 0.084 -0.966 -0.558) 1.119 3.741 ( 0.871 -2.986 -0.130) 3.114 3.790 ( -0.549 -4.182 0.130) 4.220 3.845 ( -0.046 -0.748 0.305) 0.809 4.042 ( -0.439 -7.558 -0.661) 7.599 4.092 ( -0.484 5.666 -0.216) 5.690 4.262 ( 2.520 6.841 -1.952) 7.547 4.327 ( -3.699 2.734 2.778) 5.374 4.430 ( 0.055 -0.791 -0.007) 0.793 4.490 ( 0.756 1.587 -0.779) 1.923 4.964 ( -0.108 3.461 -0.306) 3.476 5.126 ( 0.215 3.232 0.146) 3.242 10.726 ( 2.034 -21.996 0.231) 22.091 11.034 ( -4.117 -21.769 -0.453) 22.159 14.587 ( 2.154 13.092 1.515) 13.355 14.880 ( -0.746 17.834 -1.253) 17.894 16.145 ( 1.082 5.074 -0.339) 5.199 16.373 ( -1.230 7.155 0.295) 7.266 ======================= Grid point 44 (32/199) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.082 2.146 -0.022) 2.148 1.188 ( -0.308 -2.171 0.081) 2.194 1.231 ( 0.016 -6.200 1.422) 6.361 1.249 ( -1.689 -9.407 -1.376) 9.656 1.409 ( 0.324 -3.097 -1.254) 3.357 1.447 ( 0.069 -7.295 0.732) 7.332 1.488 ( -0.040 -6.280 -0.714) 6.320 1.602 ( 1.499 -0.184 1.033) 1.830 1.611 ( 3.112 -6.956 -0.395) 7.630 1.625 ( 1.429 -2.712 2.301) 3.833 1.678 ( -1.971 -3.275 0.861) 3.919 1.777 ( -2.500 -3.272 -0.864) 4.207 1.925 ( -0.163 -3.156 1.373) 3.445 1.936 ( 0.159 -0.789 -2.803) 2.916 2.017 ( 0.084 -6.434 -0.426) 6.448 2.325 ( 1.424 3.252 0.245) 3.558 2.393 ( -0.706 3.866 -0.402) 3.951 2.550 ( -0.449 -4.787 -0.220) 4.813 2.559 ( 0.348 -3.643 -0.070) 3.660 2.570 ( -0.395 -5.829 -0.053) 5.842 2.669 ( 0.418 -0.510 1.687) 1.811 2.753 ( -1.166 -2.997 -1.821) 3.696 2.805 ( -0.713 3.474 -1.621) 3.900 2.967 ( 1.514 -11.406 0.102) 11.507 3.046 ( 0.203 0.198 2.573) 2.589 3.141 ( -0.914 -1.883 -1.101) 2.365 3.184 ( -0.190 0.331 -0.118) 0.399 3.288 ( 0.303 -1.265 -0.087) 1.303 3.317 ( 1.331 -0.022 0.745) 1.526 3.339 ( -0.350 -3.235 -0.425) 3.282 3.471 ( -0.063 -2.091 1.329) 2.478 3.584 ( 0.285 -4.114 0.443) 4.147 3.594 ( -0.338 -1.218 -0.077) 1.266 3.670 ( 0.039 -4.306 -0.362) 4.321 3.788 ( 0.283 -1.592 0.142) 1.623 3.809 ( -0.062 2.422 0.125) 2.426 3.837 ( -0.063 0.977 -0.107) 0.984 3.982 ( -0.245 3.663 -0.387) 3.691 4.012 ( 0.070 6.078 0.002) 6.079 4.291 ( 2.096 -4.152 -0.905) 4.738 4.322 ( -2.724 -2.943 1.247) 4.200 4.445 ( 0.230 -0.384 -0.096) 0.458 4.473 ( 0.089 0.447 -0.189) 0.494 4.916 ( -0.404 1.222 -0.680) 1.455 5.074 ( 0.258 2.080 0.286) 2.115 11.155 ( 3.851 -20.060 0.311) 20.429 11.383 ( -5.086 -14.695 -0.379) 15.555 14.343 ( 0.746 11.663 0.447) 11.696 14.549 ( 0.035 15.054 -0.382) 15.059 16.082 ( 0.275 1.502 -0.054) 1.528 16.260 ( -0.316 4.197 0.047) 4.209 ======================= Grid point 45 (33/199) ======================= q-point: ( 0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -0.055 1.325 -0.001) 1.326 1.217 ( -0.052 -1.011 -0.032) 1.013 1.282 ( 0.140 -0.356 0.054) 0.386 1.408 ( 0.171 -5.675 1.229) 5.810 1.445 ( -0.289 0.430 -0.754) 0.915 1.518 ( 0.355 -1.246 0.315) 1.333 1.529 ( -0.572 -0.250 -0.315) 0.699 1.666 ( 3.648 -0.903 -0.100) 3.760 1.697 ( -0.812 -6.104 0.561) 6.184 1.727 ( -2.314 -4.191 -0.134) 4.790 1.789 ( 0.092 -5.235 -0.197) 5.239 1.828 ( -0.547 -5.310 -0.375) 5.351 1.923 ( -0.024 2.211 -0.065) 2.212 1.976 ( 0.094 -2.212 -0.323) 2.237 2.104 ( 0.427 -1.353 0.247) 1.440 2.220 ( 0.147 5.772 -0.018) 5.774 2.303 ( 0.356 4.925 0.199) 4.942 2.611 ( 0.702 -2.126 0.522) 2.299 2.617 ( -0.741 -2.298 -0.392) 2.446 2.668 ( 0.030 0.034 0.791) 0.792 2.717 ( 0.928 -0.437 1.123) 1.522 2.734 ( -2.017 -5.060 -3.144) 6.290 2.804 ( -0.378 -0.809 -0.380) 0.970 3.052 ( 0.118 -1.788 0.423) 1.842 3.148 ( 1.290 -0.174 -1.179) 1.757 3.158 ( -0.021 -2.329 2.097) 3.134 3.170 ( -1.064 0.009 -0.840) 1.355 3.286 ( 0.334 -2.535 0.524) 2.610 3.364 ( 1.136 0.171 0.878) 1.446 3.401 ( -0.712 -4.400 -0.636) 4.502 3.514 ( 0.105 -1.789 0.457) 1.850 3.612 ( -0.161 0.087 -0.179) 0.256 3.628 ( -0.052 -1.314 0.137) 1.322 3.731 ( 0.191 3.837 -0.063) 3.842 3.768 ( 0.066 -3.676 0.077) 3.678 3.810 ( -0.083 1.296 -0.420) 1.365 3.814 ( -0.054 -0.910 0.214) 0.936 3.925 ( 0.051 2.153 0.054) 2.154 3.942 ( -0.026 1.143 -0.073) 1.145 4.325 ( -0.040 -0.734 0.023) 0.735 4.403 ( -0.057 -3.147 0.099) 3.149 4.447 ( 0.044 0.086 -0.111) 0.147 4.465 ( -0.026 0.445 0.018) 0.446 4.910 ( -0.303 -0.763 -0.469) 0.946 5.041 ( 0.183 1.484 0.265) 1.518 11.528 ( 8.020 -11.295 0.425) 13.859 11.587 ( -8.457 -10.849 -0.442) 13.763 14.146 ( 0.087 7.607 0.081) 7.608 14.291 ( 0.200 10.174 -0.066) 10.176 16.082 ( -0.031 -1.211 -0.008) 1.212 16.190 ( 0.034 3.042 0.006) 3.042 ======================= Grid point 46 (34/199) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.000 -0.198 0.000) 0.198 1.229 ( 0.000 -0.189 0.000) 0.189 1.276 ( -0.000 0.570 -0.000) 0.570 1.416 ( -0.000 1.195 -0.000) 1.195 1.467 ( -0.000 0.287 -0.000) 0.287 1.509 ( -0.000 0.827 -0.000) 0.827 1.533 ( -0.000 0.083 -0.000) 0.083 1.726 ( 0.000 -4.067 0.000) 4.067 1.734 ( -0.000 2.000 -0.000) 2.000 1.820 ( -0.000 0.291 -0.000) 0.291 1.839 ( 0.000 -1.387 0.000) 1.387 1.863 ( -0.000 0.311 -0.000) 0.311 1.918 ( 0.000 -0.588 0.000) 0.588 1.997 ( 0.000 -0.781 0.000) 0.781 2.086 ( -0.000 2.446 -0.000) 2.446 2.170 ( 0.000 -2.044 0.000) 2.044 2.206 ( -0.000 4.110 -0.000) 4.110 2.620 ( -0.000 0.949 -0.000) 0.949 2.637 ( 0.000 -0.175 0.000) 0.175 2.695 ( 0.000 -2.824 0.000) 2.824 2.702 ( -0.000 1.260 -0.000) 1.260 2.811 ( 0.000 -1.794 0.000) 1.794 2.872 ( 0.000 -5.460 0.000) 5.460 3.094 ( -0.000 4.075 -0.000) 4.075 3.106 ( 0.000 -2.376 0.000) 2.376 3.152 ( -0.000 0.878 -0.000) 0.878 3.168 ( -0.000 0.835 -0.000) 0.835 3.328 ( -0.000 2.811 -0.000) 2.811 3.337 ( -0.000 2.001 -0.000) 2.001 3.467 ( 0.000 -1.663 0.000) 1.663 3.526 ( -0.000 0.800 -0.000) 0.800 3.596 ( 0.000 -1.135 0.000) 1.135 3.645 ( 0.000 -0.170 0.000) 0.170 3.692 ( -0.000 0.735 -0.000) 0.735 3.792 ( -0.000 0.201 -0.000) 0.201 3.800 ( -0.000 0.020 -0.000) 0.020 3.837 ( 0.000 -0.832 0.000) 0.832 3.911 ( 0.000 -0.335 0.000) 0.335 3.924 ( -0.000 0.780 -0.000) 0.780 4.332 ( 0.000 -0.046 0.000) 0.046 4.435 ( -0.000 0.041 -0.000) 0.041 4.447 ( 0.000 -0.035 0.000) 0.035 4.458 ( 0.000 -0.107 0.000) 0.107 4.940 ( 0.000 -2.212 0.000) 2.212 5.011 ( -0.000 1.666 -0.000) 1.666 11.549 ( -0.000 5.601 -0.000) 5.601 11.812 ( 0.000 -6.949 0.000) 6.949 14.065 ( -0.000 0.241 -0.000) 0.241 14.175 ( -0.000 0.689 -0.000) 0.689 16.122 ( 0.000 -2.730 0.000) 2.730 16.133 ( -0.000 2.751 -0.000) 2.751 ======================= Grid point 53 (35/199) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 11.563 -0.000 0.695) 11.584 0.427 ( 11.840 -0.000 -1.424) 11.925 0.752 ( 19.569 -0.000 12.432) 23.184 0.793 ( -6.991 0.000 -0.222) 6.995 0.988 ( -2.716 0.000 1.922) 3.327 1.093 ( -1.655 0.000 -2.322) 2.851 1.135 ( 0.059 -0.000 0.131) 0.144 1.201 ( -2.834 0.000 0.898) 2.973 1.251 ( 0.266 -0.000 -0.248) 0.364 1.409 ( -4.877 0.000 -2.679) 5.565 1.472 ( -3.801 0.000 -4.736) 6.073 1.628 ( 0.713 -0.000 -3.004) 3.087 1.758 ( 1.014 -0.000 0.720) 1.244 1.764 ( 0.982 -0.000 6.239) 6.316 1.826 ( -0.640 0.000 -0.596) 0.874 1.850 ( 1.631 -0.000 -1.185) 2.016 1.957 ( -5.554 0.000 -5.608) 7.893 2.048 ( -0.194 0.000 0.012) 0.194 2.343 ( -0.124 0.000 -0.684) 0.695 2.440 ( 0.941 -0.000 0.323) 0.995 2.509 ( 0.689 -0.000 0.728) 1.003 2.583 ( -2.106 0.000 0.370) 2.138 2.640 ( -1.432 0.000 -1.161) 1.843 2.745 ( -0.425 0.000 -0.052) 0.428 2.782 ( 0.341 -0.000 -0.077) 0.350 2.797 ( 0.450 -0.000 -0.004) 0.450 3.025 ( -0.072 0.000 -1.107) 1.109 3.115 ( -0.248 0.000 -0.101) 0.268 3.136 ( 0.525 -0.000 3.563) 3.602 3.230 ( 0.098 -0.000 -0.003) 0.098 3.254 ( 1.059 -0.000 -0.130) 1.067 3.258 ( -0.043 0.000 -0.012) 0.045 3.343 ( -0.067 0.000 0.090) 0.112 3.355 ( 0.014 -0.000 -0.074) 0.075 3.571 ( -1.118 0.000 0.090) 1.122 3.643 ( 0.874 -0.000 -1.533) 1.765 3.713 ( -0.069 0.000 0.029) 0.075 3.728 ( 9.670 -0.000 3.872) 10.417 4.186 ( -9.126 0.000 -1.972) 9.336 4.518 ( -0.370 0.000 -1.606) 1.648 4.569 ( 2.511 -0.000 -2.491) 3.537 4.634 ( -1.792 0.000 0.861) 1.988 4.821 ( 0.894 -0.000 3.112) 3.238 5.256 ( 1.675 -0.000 2.625) 3.114 5.379 ( -2.039 0.000 -0.384) 2.075 9.296 ( 2.668 -0.000 -0.063) 2.669 9.414 ( -2.647 0.000 0.061) 2.647 15.448 ( -4.753 0.000 14.519) 15.277 15.856 ( 0.955 -0.000 1.162) 1.504 16.611 ( 4.090 -0.000 -16.124) 16.635 16.880 ( -1.212 0.000 0.611) 1.358 ======================= Grid point 54 (36/199) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 8.023 -8.048 -2.237) 11.582 0.586 ( 11.400 -6.100 7.606) 15.001 0.827 ( -6.307 -8.215 -4.879) 11.449 0.982 ( -2.200 -0.485 -0.953) 2.446 1.007 ( 6.701 -12.300 6.135) 15.291 1.088 ( -0.771 -3.309 2.380) 4.149 1.153 ( -0.189 -2.552 -2.057) 3.283 1.243 ( -3.216 -4.763 1.359) 5.905 1.317 ( 0.671 -5.291 0.198) 5.337 1.404 ( -1.518 -3.004 -2.895) 4.440 1.450 ( -2.582 -0.398 -3.541) 4.401 1.544 ( -0.620 2.330 0.437) 2.450 1.723 ( 0.427 1.769 1.066) 2.109 1.768 ( 2.751 1.033 3.166) 4.320 1.844 ( -3.114 0.970 -2.075) 3.865 1.982 ( 1.610 -9.991 0.411) 10.128 2.024 ( -1.218 -9.999 -1.115) 10.135 2.174 ( -1.453 -9.563 -1.191) 9.746 2.371 ( 2.055 -2.165 0.798) 3.089 2.501 ( -2.669 1.373 -2.786) 4.096 2.524 ( -0.765 -1.461 -0.718) 1.798 2.620 ( 2.847 -3.266 1.451) 4.569 2.705 ( -2.913 -0.256 -0.013) 2.924 2.775 ( -1.589 -6.607 -0.738) 6.836 2.859 ( 0.325 -8.258 0.854) 8.308 2.949 ( 2.808 -6.327 0.574) 6.945 3.025 ( -2.714 -3.150 0.263) 4.166 3.089 ( -0.092 1.461 -0.323) 1.499 3.142 ( -0.666 -1.845 0.170) 1.969 3.225 ( 0.625 1.190 0.303) 1.378 3.387 ( 0.332 -7.696 -3.162) 8.327 3.398 ( -1.674 -6.819 2.109) 7.331 3.443 ( 1.216 -8.784 -0.711) 8.896 3.492 ( -4.459 -8.624 1.840) 9.882 3.597 ( -1.623 -3.669 1.352) 4.234 3.664 ( 0.074 -2.687 -1.482) 3.069 3.726 ( 6.560 2.562 3.301) 7.778 3.731 ( -0.043 -3.782 -2.730) 4.665 4.123 ( -6.377 1.597 -1.850) 6.830 4.481 ( -0.044 2.716 -0.502) 2.763 4.523 ( 1.331 5.104 -0.992) 5.367 4.590 ( -0.832 3.047 -0.070) 3.160 4.724 ( 1.195 8.772 1.358) 8.956 5.183 ( 0.561 6.444 0.913) 6.532 5.308 ( -0.261 5.019 0.070) 5.026 9.712 ( -0.180 -25.685 -0.037) 25.686 9.850 ( -7.154 -37.980 -1.604) 38.682 15.199 ( 3.323 18.044 8.177) 20.088 15.648 ( 0.574 17.838 -3.074) 18.110 16.465 ( 3.886 9.941 -5.549) 12.030 16.763 ( -1.909 9.666 2.144) 10.083 ======================= Grid point 55 (37/199) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 5.029 -12.674 -1.000) 13.672 0.802 ( 4.725 -11.747 3.191) 13.058 0.909 ( -5.913 -6.239 -3.138) 9.150 0.983 ( -3.315 -0.921 0.755) 3.523 1.147 ( 0.965 -4.178 -3.054) 5.264 1.196 ( -3.122 -4.046 1.568) 5.345 1.342 ( 2.319 -9.603 -1.359) 9.972 1.379 ( -1.754 -5.182 1.287) 5.620 1.423 ( 2.985 -6.445 2.487) 7.525 1.472 ( -1.664 -3.870 -1.573) 4.497 1.555 ( 2.855 -10.518 -1.989) 11.079 1.600 ( -2.846 -10.548 1.581) 11.039 1.704 ( 0.908 0.431 0.750) 1.254 1.741 ( 0.985 2.458 1.284) 2.943 1.846 ( -0.894 -2.374 0.038) 2.537 2.206 ( 1.761 -9.767 0.377) 9.932 2.241 ( -0.939 -11.106 0.363) 11.152 2.307 ( -0.923 -3.586 -1.258) 3.911 2.473 ( 1.888 -7.244 1.197) 7.581 2.507 ( -0.477 0.464 -0.586) 0.887 2.536 ( -2.830 -5.177 -1.586) 6.109 2.616 ( 0.545 2.839 -0.965) 3.048 2.718 ( -0.263 -1.244 0.055) 1.273 2.899 ( 1.303 0.362 2.407) 2.761 2.961 ( -1.674 -7.726 -1.900) 8.130 3.048 ( 0.091 -0.091 0.097) 0.161 3.111 ( 2.527 -6.808 0.056) 7.262 3.145 ( -0.685 -5.938 1.255) 6.108 3.203 ( 0.646 0.162 0.557) 0.868 3.223 ( -0.913 -5.772 -0.551) 5.870 3.431 ( -1.635 1.487 -1.589) 2.722 3.490 ( 0.084 -1.364 1.435) 1.981 3.579 ( 0.066 -1.540 0.630) 1.665 3.590 ( 0.423 -3.814 -0.814) 3.923 3.669 ( -0.658 -5.978 0.973) 6.092 3.703 ( 2.159 -0.140 -0.779) 2.299 3.785 ( 2.659 -6.941 3.779) 8.338 3.848 ( -4.163 -7.415 -4.223) 9.494 4.125 ( -1.818 -2.111 -0.246) 2.797 4.394 ( -0.221 6.854 -0.194) 6.861 4.435 ( 0.188 1.617 -0.176) 1.638 4.494 ( -0.083 9.707 0.511) 9.721 4.548 ( 0.481 5.125 -0.296) 5.156 5.056 ( 0.012 5.742 -0.003) 5.742 5.206 ( 0.165 4.769 0.214) 4.776 10.253 ( 0.750 -26.068 -0.023) 26.078 10.513 ( -3.312 -29.725 -0.465) 29.912 14.879 ( 2.600 15.395 2.715) 15.848 15.252 ( -0.772 19.820 -1.924) 19.928 16.286 ( 1.524 8.401 -1.041) 8.602 16.546 ( -1.414 10.404 0.768) 10.528 ======================= Grid point 56 (38/199) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.829 0.971 -0.361) 1.327 1.008 ( -0.046 -12.328 -0.413) 12.335 1.065 ( -1.477 -9.906 0.269) 10.019 1.095 ( -0.610 -8.996 0.329) 9.023 1.263 ( 3.827 -7.446 0.072) 8.373 1.301 ( -4.172 -8.367 -0.737) 9.379 1.410 ( 0.187 -0.179 -0.312) 0.405 1.473 ( 0.566 -5.819 -0.528) 5.870 1.537 ( 0.669 -5.615 0.130) 5.656 1.620 ( 0.035 -5.892 1.046) 5.984 1.654 ( -0.014 0.687 0.920) 1.149 1.703 ( 0.027 -0.157 0.045) 0.166 1.789 ( -0.184 -9.049 0.462) 9.063 1.861 ( 0.526 -9.133 -0.969) 9.199 1.910 ( -0.212 -3.943 0.020) 3.949 2.298 ( -0.061 -3.124 -0.138) 3.128 2.419 ( -0.174 -5.309 -0.295) 5.320 2.447 ( 0.710 -7.824 0.280) 7.861 2.474 ( 0.026 0.555 0.457) 0.719 2.551 ( -0.146 2.713 -0.366) 2.742 2.633 ( 1.627 -4.559 2.454) 5.427 2.659 ( -2.227 -6.806 -2.782) 7.682 2.768 ( 0.248 -6.002 -0.051) 6.007 2.866 ( -0.033 2.616 -0.229) 2.627 3.046 ( 0.244 -0.376 1.803) 1.858 3.080 ( -0.724 -4.054 -1.726) 4.465 3.181 ( 0.059 -0.406 0.055) 0.414 3.227 ( 0.106 -3.897 -0.035) 3.899 3.266 ( 0.277 -3.784 -0.378) 3.813 3.361 ( 3.330 -0.951 2.346) 4.183 3.391 ( -3.152 -4.212 -1.349) 5.431 3.497 ( -0.076 -1.381 0.173) 1.394 3.582 ( -0.025 0.048 0.122) 0.133 3.631 ( 0.039 -0.929 -0.207) 0.952 3.745 ( 0.312 -2.770 -0.040) 2.788 3.787 ( -0.201 -4.259 0.039) 4.264 3.845 ( -0.045 -0.602 0.103) 0.612 4.039 ( -0.153 -8.097 -0.240) 8.102 4.090 ( -0.177 5.673 -0.080) 5.676 4.276 ( 1.931 7.630 -1.493) 8.010 4.309 ( -2.340 1.938 1.776) 3.520 4.430 ( 0.024 -0.826 -0.005) 0.826 4.493 ( 0.249 1.651 -0.263) 1.691 4.963 ( -0.038 3.551 -0.111) 3.553 5.127 ( 0.078 3.227 0.052) 3.228 10.737 ( 0.867 -22.487 0.098) 22.504 11.013 ( -1.627 -21.429 -0.178) 21.492 14.600 ( 0.815 13.493 0.584) 13.530 14.875 ( -0.303 17.588 -0.489) 17.598 16.150 ( 0.416 5.248 -0.130) 5.266 16.367 ( -0.470 6.972 0.114) 6.989 ======================= Grid point 57 (39/199) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.000 2.231 -0.000) 2.231 1.187 ( 0.000 -2.189 0.000) 2.189 1.235 ( 0.000 -5.478 0.000) 5.478 1.239 ( 0.000 -10.580 0.000) 10.580 1.409 ( 0.000 -2.602 0.000) 2.602 1.448 ( 0.000 -6.839 0.000) 6.839 1.487 ( 0.000 -7.023 0.000) 7.023 1.608 ( 0.000 -0.053 0.000) 0.053 1.615 ( 0.000 -8.330 0.000) 8.330 1.644 ( 0.000 -2.965 0.000) 2.965 1.667 ( 0.000 -1.726 0.000) 1.726 1.766 ( 0.000 -3.020 0.000) 3.020 1.924 ( 0.000 -2.646 0.000) 2.646 1.935 ( 0.000 -1.288 0.000) 1.288 2.017 ( 0.000 -6.724 0.000) 6.724 2.331 ( -0.000 3.147 -0.000) 3.147 2.390 ( -0.000 3.739 -0.000) 3.739 2.548 ( 0.000 -4.065 0.000) 4.065 2.560 ( 0.000 -3.842 0.000) 3.842 2.569 ( 0.000 -5.941 0.000) 5.941 2.672 ( 0.000 -0.346 0.000) 0.346 2.747 ( 0.000 -2.994 0.000) 2.994 2.801 ( -0.000 3.369 -0.000) 3.369 2.973 ( 0.000 -11.439 0.000) 11.439 3.049 ( -0.000 0.107 -0.000) 0.107 3.136 ( 0.000 -1.931 0.000) 1.931 3.184 ( -0.000 0.404 -0.000) 0.404 3.289 ( 0.000 -1.440 0.000) 1.440 3.323 ( -0.000 0.006 -0.000) 0.006 3.337 ( 0.000 -3.030 0.000) 3.030 3.472 ( 0.000 -2.258 0.000) 2.258 3.586 ( 0.000 -4.159 0.000) 4.159 3.593 ( 0.000 -1.121 0.000) 1.121 3.670 ( 0.000 -4.347 0.000) 4.347 3.789 ( 0.000 -1.607 0.000) 1.607 3.809 ( -0.000 2.380 -0.000) 2.380 3.837 ( -0.000 1.037 -0.000) 1.037 3.981 ( -0.000 3.562 -0.000) 3.562 4.012 ( -0.000 6.154 -0.000) 6.154 4.305 ( 0.000 -6.276 0.000) 6.276 4.306 ( 0.000 -0.898 0.000) 0.898 4.446 ( 0.000 -0.400 0.000) 0.400 4.473 ( -0.000 0.505 -0.000) 0.505 4.914 ( -0.000 1.314 -0.000) 1.314 5.076 ( -0.000 2.037 -0.000) 2.037 11.171 ( 0.000 -20.820 0.000) 20.820 11.363 ( 0.000 -13.976 0.000) 13.976 14.346 ( -0.000 11.811 -0.000) 11.811 14.548 ( -0.000 14.934 -0.000) 14.934 16.083 ( -0.000 1.577 -0.000) 1.577 16.259 ( -0.000 4.109 -0.000) 4.109 ======================= Grid point 67 (40/199) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 7.894 -0.000 0.410) 7.905 0.493 ( 7.011 -0.000 -0.998) 7.082 0.746 ( -5.642 0.000 -0.177) 5.645 0.890 ( 13.259 -0.000 10.412) 16.859 0.976 ( -1.081 0.000 0.331) 1.130 1.071 ( -3.129 0.000 -3.226) 4.494 1.136 ( 0.037 -0.000 0.078) 0.086 1.192 ( -0.216 0.000 1.915) 1.927 1.252 ( 0.134 -0.000 -0.140) 0.193 1.359 ( -6.619 0.000 -4.880) 8.224 1.449 ( -1.296 0.000 -1.391) 1.902 1.628 ( 0.296 -0.000 -1.509) 1.538 1.765 ( 0.665 -0.000 0.482) 0.821 1.779 ( 0.363 -0.000 4.447) 4.462 1.821 ( -0.452 0.000 -0.412) 0.612 1.858 ( 1.127 -0.000 -0.794) 1.379 1.917 ( -3.236 0.000 -4.076) 5.204 2.047 ( -0.145 0.000 -0.013) 0.146 2.342 ( -0.003 0.000 -0.348) 0.348 2.447 ( 0.662 -0.000 0.362) 0.754 2.513 ( 0.352 -0.000 0.386) 0.523 2.571 ( -1.339 0.000 0.092) 1.342 2.631 ( -0.649 0.000 -0.694) 0.951 2.742 ( -0.220 0.000 -0.027) 0.222 2.784 ( 0.176 -0.000 -0.046) 0.181 2.800 ( 0.257 -0.000 0.008) 0.257 3.023 ( -0.071 0.000 -0.610) 0.614 3.113 ( -0.158 0.000 -0.118) 0.197 3.144 ( 0.319 -0.000 1.929) 1.956 3.231 ( 0.058 -0.000 -0.002) 0.058 3.258 ( -0.026 0.000 -0.007) 0.027 3.259 ( 0.554 -0.000 -0.024) 0.554 3.342 ( -0.038 0.000 0.051) 0.064 3.355 ( 0.007 -0.000 -0.042) 0.042 3.564 ( -0.687 0.000 -0.022) 0.688 3.646 ( 0.405 -0.000 -0.848) 0.939 3.712 ( -0.037 0.000 0.004) 0.038 3.798 ( 7.501 -0.000 3.463) 8.261 4.124 ( -6.995 0.000 -2.366) 7.385 4.511 ( -0.696 0.000 -0.878) 1.120 4.586 ( 3.048 -0.000 -2.028) 3.661 4.622 ( -2.200 0.000 1.349) 2.581 4.830 ( 0.460 -0.000 1.494) 1.563 5.271 ( 1.250 -0.000 1.876) 2.255 5.365 ( -1.415 0.000 -0.769) 1.610 9.314 ( 2.190 -0.000 -0.052) 2.190 9.397 ( -2.177 0.000 0.050) 2.178 15.441 ( -2.257 0.000 6.567) 6.944 15.862 ( 0.506 -0.000 0.609) 0.792 16.612 ( 1.917 -0.000 -7.433) 7.676 16.874 ( -0.697 0.000 0.353) 0.781 ======================= Grid point 68 (41/199) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 3.180 -7.695 -0.843) 8.369 0.676 ( 10.581 -4.886 6.836) 13.511 0.761 ( -9.248 -7.186 -5.863) 13.097 0.965 ( -1.554 0.081 0.006) 1.557 1.057 ( 4.374 -8.123 1.267) 9.312 1.082 ( -1.872 -5.044 1.413) 5.563 1.166 ( 3.789 -4.569 -0.041) 5.936 1.217 ( -4.216 -3.861 0.268) 5.723 1.323 ( 0.604 -5.535 0.423) 5.584 1.385 ( -1.596 -4.970 -2.320) 5.712 1.437 ( -0.488 -0.750 -0.756) 1.172 1.542 ( -0.222 3.222 0.183) 3.235 1.725 ( 0.070 1.641 0.418) 1.695 1.793 ( 2.668 1.286 2.776) 4.059 1.819 ( -2.827 0.445 -2.458) 3.772 1.994 ( 1.316 -9.744 0.571) 9.849 2.013 ( -1.187 -10.649 -0.852) 10.748 2.166 ( -0.443 -9.426 -0.393) 9.444 2.384 ( 0.998 -2.657 0.458) 2.875 2.483 ( -1.268 2.127 -1.205) 2.754 2.519 ( -0.366 -1.177 -0.203) 1.250 2.643 ( 2.860 -3.137 0.692) 4.301 2.683 ( -2.861 -2.519 -0.080) 3.813 2.767 ( -0.475 -5.845 -0.344) 5.875 2.862 ( 0.092 -8.347 0.285) 8.352 2.967 ( 1.831 -9.146 0.291) 9.332 3.008 ( -1.839 -1.265 -0.067) 2.233 3.088 ( -0.027 1.495 -0.150) 1.503 3.140 ( -0.134 -1.062 0.212) 1.091 3.228 ( 0.230 1.164 0.124) 1.193 3.380 ( -0.540 -7.382 -1.344) 7.523 3.395 ( -0.154 -7.014 0.805) 7.061 3.452 ( 1.341 -9.381 -0.872) 9.516 3.470 ( -2.327 -9.523 1.348) 9.896 3.590 ( -0.547 -3.353 0.354) 3.416 3.663 ( 0.063 -2.519 -0.606) 2.591 3.724 ( -0.270 -2.480 -0.508) 2.546 3.771 ( 3.373 3.902 1.325) 5.326 4.086 ( -2.900 0.433 -0.999) 3.098 4.479 ( -0.165 2.535 -0.194) 2.548 4.530 ( 0.704 5.734 -0.371) 5.789 4.586 ( -0.406 2.561 0.028) 2.593 4.731 ( 0.389 8.864 0.459) 8.884 5.187 ( 0.220 6.837 0.353) 6.850 5.307 ( -0.116 4.646 -0.006) 4.648 9.712 ( -0.009 -26.314 -0.008) 26.314 9.814 ( -2.374 -37.322 -0.520) 37.401 15.223 ( 0.992 17.064 2.853) 17.330 15.647 ( 0.227 18.507 -1.114) 18.542 16.477 ( 1.377 9.891 -2.003) 10.185 16.756 ( -0.715 9.881 0.817) 9.941 ======================= Grid point 69 (42/199) ======================= q-point: ( 0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 -12.448 0.000) 12.448 0.825 ( 0.000 -9.130 0.000) 9.130 0.882 ( 0.000 -8.873 0.000) 8.873 0.969 ( 0.000 -0.507 0.000) 0.507 1.150 ( 0.000 -4.743 0.000) 4.743 1.185 ( 0.000 -3.253 0.000) 3.253 1.350 ( 0.000 -8.376 0.000) 8.376 1.373 ( 0.000 -5.734 0.000) 5.734 1.444 ( 0.000 -9.813 0.000) 9.813 1.456 ( 0.000 -1.031 0.000) 1.031 1.569 ( 0.000 -6.839 0.000) 6.839 1.586 ( 0.000 -14.478 0.000) 14.478 1.708 ( -0.000 0.134 -0.000) 0.134 1.746 ( -0.000 2.945 -0.000) 2.945 1.842 ( 0.000 -2.704 0.000) 2.704 2.214 ( 0.000 -9.850 0.000) 9.850 2.236 ( 0.000 -11.054 0.000) 11.054 2.303 ( 0.000 -3.653 0.000) 3.653 2.482 ( 0.000 -7.111 0.000) 7.111 2.509 ( -0.000 1.288 -0.000) 1.288 2.519 ( 0.000 -6.485 0.000) 6.485 2.617 ( -0.000 3.206 -0.000) 3.206 2.717 ( 0.000 -1.229 0.000) 1.229 2.907 ( -0.000 1.307 -0.000) 1.307 2.952 ( 0.000 -8.693 0.000) 8.693 3.048 ( -0.000 0.115 -0.000) 0.115 3.121 ( 0.000 -6.284 0.000) 6.284 3.143 ( 0.000 -6.248 0.000) 6.248 3.206 ( 0.000 -0.062 0.000) 0.062 3.220 ( 0.000 -6.367 0.000) 6.367 3.424 ( -0.000 1.512 -0.000) 1.512 3.491 ( 0.000 -1.305 0.000) 1.305 3.580 ( 0.000 -1.634 0.000) 1.634 3.591 ( 0.000 -3.604 0.000) 3.604 3.667 ( 0.000 -6.125 0.000) 6.125 3.710 ( -0.000 0.376 -0.000) 0.376 3.808 ( 0.000 -3.426 0.000) 3.426 3.819 ( 0.000 -11.084 0.000) 11.084 4.118 ( 0.000 -2.676 0.000) 2.676 4.393 ( -0.000 6.807 -0.000) 6.807 4.435 ( -0.000 1.695 -0.000) 1.695 4.494 ( -0.000 9.797 -0.000) 9.797 4.549 ( -0.000 5.177 -0.000) 5.177 5.056 ( -0.000 5.771 -0.000) 5.771 5.207 ( -0.000 4.765 -0.000) 4.765 10.256 ( 0.000 -26.149 0.000) 26.149 10.501 ( 0.000 -30.039 0.000) 30.039 14.891 ( -0.000 15.674 -0.000) 15.674 15.248 ( -0.000 19.834 -0.000) 19.834 16.291 ( -0.000 8.510 -0.000) 8.510 16.541 ( -0.000 10.375 -0.000) 10.375 ======================= Grid point 82 (43/199) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 0.000 -0.000 0.000) 0.000 0.517 ( 0.000 -0.000 -0.000) 0.000 0.724 ( 0.000 -0.000 0.000) 0.000 0.947 ( 0.000 -0.000 0.000) 0.000 0.979 ( 0.000 -0.000 -0.000) 0.000 1.050 ( 0.000 -0.000 -0.000) 0.000 1.136 ( 0.000 -0.000 -0.000) 0.000 1.197 ( 0.000 -0.000 0.000) 0.000 1.252 ( 0.000 -0.000 0.000) 0.000 1.325 ( 0.000 -0.000 0.000) 0.000 1.444 ( 0.000 -0.000 -0.000) 0.000 1.628 ( 0.000 -0.000 0.000) 0.000 1.768 ( 0.000 -0.000 0.000) 0.000 1.784 ( 0.000 -0.000 0.000) 0.000 1.819 ( 0.000 -0.000 0.000) 0.000 1.862 ( 0.000 -0.000 0.000) 0.000 1.901 ( -0.000 0.000 -0.000) 0.000 2.047 ( 0.000 -0.000 -0.000) 0.000 2.341 ( 0.000 -0.000 0.000) 0.000 2.449 ( 0.000 -0.000 0.000) 0.000 2.515 ( 0.000 -0.000 0.000) 0.000 2.566 ( -0.000 0.000 -0.000) 0.000 2.628 ( 0.000 -0.000 -0.000) 0.000 2.741 ( 0.000 -0.000 0.000) 0.000 2.784 ( 0.000 -0.000 0.000) 0.000 2.800 ( 0.000 -0.000 0.000) 0.000 3.022 ( 0.000 -0.000 -0.000) 0.000 3.113 ( 0.000 -0.000 -0.000) 0.000 3.147 ( 0.000 -0.000 0.000) 0.000 3.231 ( 0.000 -0.000 0.000) 0.000 3.258 ( 0.000 -0.000 0.000) 0.000 3.261 ( 0.000 -0.000 0.000) 0.000 3.342 ( 0.000 -0.000 0.000) 0.000 3.355 ( 0.000 -0.000 0.000) 0.000 3.562 ( 0.000 -0.000 0.000) 0.000 3.646 ( 0.000 -0.000 -0.000) 0.000 3.712 ( 0.000 -0.000 0.000) 0.000 3.830 ( 0.000 -0.000 0.000) 0.000 4.094 ( 0.000 -0.000 -0.000) 0.000 4.508 ( 0.000 -0.000 0.000) 0.000 4.599 ( 0.000 -0.000 -0.000) 0.000 4.611 ( -0.000 0.000 0.000) 0.000 4.833 ( 0.000 -0.000 0.000) 0.000 5.278 ( 0.000 -0.000 0.000) 0.000 5.359 ( 0.000 -0.000 -0.000) 0.000 9.322 ( 0.000 -0.000 0.000) 0.000 9.388 ( 0.000 -0.000 0.000) 0.000 15.438 ( 0.000 -0.000 0.000) 0.000 15.865 ( 0.000 -0.000 0.000) 0.000 16.613 ( 0.000 -0.000 0.000) 0.000 16.871 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 151 (44/199) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( -1.674 0.000 11.934) 12.051 0.289 ( -4.977 0.000 15.184) 15.979 0.510 ( 7.095 -0.000 26.414) 27.350 0.928 ( -0.333 0.000 1.042) 1.094 1.020 ( 3.138 -0.000 -3.627) 4.796 1.064 ( 0.580 -0.000 -1.808) 1.899 1.110 ( 0.474 -0.000 -2.088) 2.141 1.231 ( 0.095 -0.000 -1.480) 1.483 1.255 ( -1.208 0.000 -1.246) 1.736 1.451 ( -0.238 0.000 -4.981) 4.987 1.536 ( -4.654 0.000 -1.890) 5.023 1.551 ( -1.814 0.000 -2.560) 3.137 1.735 ( 0.640 -0.000 0.054) 0.642 1.744 ( 0.997 -0.000 3.482) 3.622 1.839 ( -0.448 0.000 -0.171) 0.479 1.867 ( -0.240 0.000 0.494) 0.549 2.050 ( 0.168 -0.000 0.038) 0.172 2.055 ( -3.099 0.000 -3.319) 4.541 2.346 ( -0.961 0.000 -1.076) 1.442 2.350 ( 0.802 -0.000 0.158) 0.818 2.495 ( 0.898 -0.000 1.076) 1.402 2.588 ( 1.296 -0.000 -3.467) 3.701 2.689 ( -0.419 0.000 -3.392) 3.418 2.761 ( -0.111 0.000 0.077) 0.135 2.770 ( -0.098 0.000 0.085) 0.129 2.786 ( 0.028 -0.000 0.160) 0.163 3.027 ( -2.253 0.000 -0.204) 2.262 3.111 ( 2.232 -0.000 -1.230) 2.548 3.158 ( 2.225 -0.000 5.694) 6.113 3.228 ( -0.013 0.000 0.042) 0.044 3.261 ( -2.007 0.000 3.048) 3.649 3.265 ( -0.151 0.000 0.559) 0.579 3.341 ( 0.205 -0.000 -0.354) 0.409 3.352 ( -0.035 0.000 -0.266) 0.268 3.526 ( 4.062 -0.000 1.262) 4.253 3.599 ( -0.291 0.000 -1.565) 1.592 3.741 ( 0.117 -0.000 3.155) 3.157 3.885 ( -14.733 0.000 1.104) 14.774 4.196 ( 10.559 -0.000 -7.242) 12.804 4.451 ( 0.261 -0.000 -0.657) 0.707 4.575 ( -2.687 0.000 2.263) 3.513 4.682 ( -1.644 0.000 0.523) 1.726 4.829 ( 2.887 -0.000 -1.647) 3.324 5.246 ( 1.760 -0.000 3.014) 3.490 5.421 ( 2.222 -0.000 -0.688) 2.326 9.250 ( -0.015 0.000 -0.118) 0.119 9.460 ( 0.014 -0.000 0.112) 0.112 15.174 ( 28.367 -0.000 3.005) 28.525 15.771 ( -3.594 0.000 -4.932) 6.102 16.924 ( 5.268 -0.000 1.759) 5.554 17.104 ( -33.444 0.000 0.562) 33.449 ======================= Grid point 152 (45/199) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -2.455 -11.825 8.573) 14.811 0.436 ( 2.494 -9.409 12.267) 15.660 0.775 ( 4.015 -20.851 9.756) 23.368 0.995 ( 0.128 2.182 -2.308) 3.179 1.046 ( 1.253 -4.393 0.139) 4.570 1.076 ( 0.572 -8.202 -2.228) 8.518 1.207 ( -2.921 -3.149 -1.564) 4.571 1.262 ( 1.612 -4.852 0.066) 5.113 1.299 ( 0.074 -5.065 -0.886) 5.142 1.411 ( -0.991 1.131 -2.802) 3.180 1.502 ( -2.431 0.487 -2.551) 3.557 1.538 ( 0.289 -0.317 -2.862) 2.894 1.665 ( 1.042 1.149 -0.365) 1.593 1.775 ( 1.489 0.837 5.570) 5.826 1.932 ( -0.660 -1.176 1.028) 1.696 1.972 ( -1.340 -5.650 0.967) 5.887 2.007 ( 0.226 -10.869 -2.429) 11.139 2.214 ( -1.917 -9.187 -2.920) 9.829 2.327 ( 0.434 -1.215 0.297) 1.324 2.487 ( 0.593 -6.239 0.223) 6.271 2.552 ( -2.867 0.519 -4.287) 5.184 2.597 ( 0.367 -0.055 -2.241) 2.271 2.725 ( -0.332 1.527 -0.959) 1.833 2.812 ( 0.404 -5.848 -3.706) 6.935 2.840 ( 0.308 -6.941 1.477) 7.103 2.882 ( 2.535 -2.020 1.025) 3.399 3.071 ( 0.228 1.610 -2.136) 2.685 3.096 ( -1.306 -5.987 0.712) 6.169 3.180 ( 0.158 -2.685 0.360) 2.714 3.243 ( -1.835 0.416 2.064) 2.793 3.351 ( 0.385 -5.931 -0.640) 5.978 3.429 ( 0.148 -7.434 -0.288) 7.441 3.438 ( -0.056 -8.943 0.950) 8.994 3.481 ( 3.277 -1.416 -3.008) 4.668 3.560 ( 2.420 -4.637 -1.198) 5.366 3.634 ( 1.391 -3.338 1.101) 3.781 3.735 ( -0.386 0.993 3.079) 3.258 3.893 ( -11.152 -5.202 -3.278) 12.735 4.159 ( 3.370 3.287 -9.320) 10.442 4.431 ( 0.671 1.660 -0.945) 2.025 4.532 ( -1.177 3.479 2.598) 4.499 4.619 ( -1.478 5.568 -0.180) 5.763 4.709 ( 1.588 8.322 2.766) 8.912 5.172 ( 0.949 6.426 1.002) 6.573 5.333 ( -0.045 5.795 1.641) 6.023 9.719 ( -0.222 -25.143 -0.586) 25.151 9.992 ( -2.247 -35.690 -16.298) 39.300 15.042 ( 13.135 14.445 7.298) 20.844 15.601 ( -2.961 14.013 -4.696) 15.072 16.518 ( -10.765 17.752 12.151) 24.055 16.852 ( 1.460 10.668 4.066) 11.510 ======================= Grid point 153 (46/199) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -1.364 -15.459 5.272) 16.390 0.711 ( 2.455 -15.897 3.741) 16.514 0.976 ( 0.182 -0.941 -2.229) 2.427 1.074 ( -2.699 -7.163 -3.332) 8.348 1.163 ( -3.312 -3.950 -4.151) 6.618 1.228 ( 1.851 -7.332 -1.045) 7.634 1.295 ( 0.425 -3.874 1.392) 4.138 1.374 ( 0.594 -4.293 -1.852) 4.713 1.393 ( -0.253 -5.045 1.090) 5.168 1.465 ( -0.005 -9.394 2.517) 9.725 1.551 ( -1.316 -8.555 -0.341) 8.662 1.576 ( 3.175 -2.344 -4.887) 6.281 1.719 ( 0.637 -5.724 4.219) 7.139 1.764 ( 0.694 0.927 5.130) 5.259 1.903 ( -0.989 0.174 2.477) 2.673 2.170 ( 0.524 -9.483 -0.073) 9.498 2.229 ( 1.211 -9.674 0.023) 9.750 2.346 ( -2.977 -4.874 -2.539) 6.250 2.412 ( 2.254 -6.253 -0.150) 6.649 2.536 ( -1.687 -0.381 -2.139) 2.750 2.562 ( -0.154 0.200 -0.343) 0.425 2.605 ( -1.607 -3.362 -1.891) 4.179 2.715 ( -0.720 -0.491 -2.875) 3.004 2.867 ( 2.195 -0.111 1.264) 2.535 2.973 ( -0.129 -6.638 -2.742) 7.184 3.017 ( 1.311 -5.573 -0.434) 5.741 3.047 ( 1.681 -3.017 0.847) 3.556 3.189 ( -0.844 -3.645 2.692) 4.610 3.219 ( 0.195 0.549 2.956) 3.013 3.273 ( -2.720 -4.194 -0.093) 5.000 3.409 ( -1.460 -0.743 -4.908) 5.174 3.503 ( 4.658 -0.857 -0.013) 4.736 3.565 ( 0.318 -4.010 -0.728) 4.088 3.595 ( 1.045 -6.667 -0.034) 6.748 3.634 ( -1.743 0.376 4.509) 4.849 3.733 ( -1.179 -4.234 2.508) 5.060 3.754 ( 2.045 -7.991 2.293) 8.561 3.943 ( -4.616 -2.753 -3.108) 6.209 4.135 ( 0.419 -0.602 -6.657) 6.697 4.390 ( -0.114 4.107 -0.798) 4.185 4.435 ( -0.495 5.434 0.571) 5.487 4.480 ( 1.817 6.026 -1.350) 6.437 4.556 ( -1.251 6.886 2.645) 7.481 5.045 ( 0.261 5.751 -0.816) 5.815 5.224 ( -0.113 5.094 2.122) 5.520 10.252 ( -0.427 -25.663 2.284) 25.768 10.590 ( -1.663 -27.995 -6.938) 28.889 14.799 ( 4.907 13.379 4.157) 14.844 15.251 ( -1.961 18.485 -3.132) 18.851 16.263 ( -1.897 8.867 3.309) 9.653 16.616 ( 0.135 12.079 1.494) 12.172 ======================= Grid point 154 (47/199) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.318 -2.866 2.006) 3.512 1.036 ( -2.356 -15.490 -0.378) 15.673 1.086 ( 1.282 -11.254 -1.245) 11.395 1.173 ( -0.294 -4.072 -0.821) 4.164 1.255 ( -6.025 -5.498 3.151) 8.744 1.308 ( 1.787 -4.678 -5.905) 7.743 1.352 ( 3.682 -2.940 -1.693) 5.007 1.416 ( -1.809 -3.979 -1.353) 4.576 1.517 ( 1.224 -3.847 -0.316) 4.050 1.611 ( 1.060 -3.617 -0.327) 3.784 1.675 ( 1.929 -5.888 2.026) 6.519 1.727 ( 0.641 -1.341 3.454) 3.760 1.819 ( -2.031 -9.186 -1.877) 9.593 1.859 ( 0.267 -6.979 6.071) 9.254 1.928 ( -0.623 -2.557 0.578) 2.694 2.301 ( -0.342 -3.904 -0.341) 3.934 2.382 ( 1.117 -5.079 -1.524) 5.419 2.426 ( 0.517 -3.109 0.635) 3.215 2.490 ( 0.404 -1.505 0.134) 1.564 2.531 ( 0.181 0.382 -1.528) 1.585 2.615 ( 0.826 -5.577 0.769) 5.690 2.702 ( -3.941 -5.167 -4.725) 8.035 2.730 ( 1.723 -3.863 -1.192) 4.394 2.859 ( 0.805 1.735 0.814) 2.078 3.015 ( -0.097 -0.557 -3.420) 3.467 3.114 ( -0.770 -5.703 0.007) 5.755 3.192 ( 1.660 -4.812 0.223) 5.095 3.209 ( 0.053 0.224 1.343) 1.363 3.252 ( -0.894 -3.043 1.155) 3.376 3.344 ( 0.556 -2.139 3.752) 4.355 3.433 ( -0.826 -4.185 -1.296) 4.458 3.520 ( 1.146 -0.233 0.522) 1.281 3.600 ( -0.098 0.481 1.082) 1.189 3.619 ( -0.977 -1.446 -1.011) 2.017 3.710 ( 0.824 -4.086 -0.265) 4.177 3.811 ( -0.345 -3.300 0.161) 3.322 3.855 ( 0.094 0.079 1.502) 1.507 4.039 ( -0.703 -5.421 -1.294) 5.618 4.114 ( -0.858 3.531 0.814) 3.723 4.221 ( -0.449 6.323 -0.142) 6.340 4.406 ( 1.343 1.017 -0.683) 1.818 4.420 ( 2.226 -0.091 -2.952) 3.698 4.451 ( -2.942 2.721 1.792) 4.390 4.954 ( 0.002 3.376 -1.002) 3.522 5.137 ( -0.083 3.633 1.456) 3.915 10.707 ( 0.813 -19.957 2.078) 20.081 11.100 ( -2.798 -23.932 -2.896) 24.269 14.555 ( 2.424 12.493 1.667) 12.835 14.877 ( -0.870 17.920 -1.524) 18.006 16.127 ( 0.089 4.648 0.844) 4.725 16.408 ( -0.607 8.510 0.338) 8.539 ======================= Grid point 155 (48/199) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.016 1.609 0.333) 1.643 1.201 ( -0.685 -1.235 0.048) 1.414 1.253 ( -0.383 -3.682 0.653) 3.759 1.296 ( -1.760 -9.165 -2.847) 9.757 1.380 ( -1.990 -4.563 0.594) 5.013 1.434 ( 1.870 -10.189 -0.213) 10.361 1.458 ( 2.241 -7.078 -0.045) 7.425 1.529 ( 3.171 -1.473 2.346) 4.211 1.577 ( -0.006 -5.810 -1.765) 6.072 1.668 ( 0.522 -0.224 3.463) 3.509 1.711 ( -0.910 -4.460 -0.040) 4.552 1.831 ( -2.684 -4.180 -0.705) 5.017 1.888 ( 0.771 -1.006 -2.466) 2.773 1.947 ( -0.127 -0.883 0.628) 1.092 2.022 ( -0.399 -5.742 1.997) 6.093 2.301 ( 1.290 3.225 1.276) 3.701 2.388 ( 0.138 4.207 -1.530) 4.479 2.531 ( 1.113 -2.420 -1.566) 3.090 2.547 ( -0.338 -8.360 -2.100) 8.627 2.564 ( -0.316 -2.905 -1.686) 3.374 2.669 ( 0.088 -0.691 -0.648) 0.951 2.751 ( -1.877 -2.136 -2.072) 3.518 2.799 ( 0.821 2.464 -0.502) 2.645 2.919 ( 2.036 -8.012 -0.147) 8.268 3.031 ( -0.562 -2.731 -3.057) 4.138 3.180 ( -0.654 0.703 1.471) 1.757 3.205 ( -1.063 -1.785 1.449) 2.533 3.279 ( 1.853 -3.653 0.156) 4.099 3.312 ( -0.101 -2.468 2.668) 3.635 3.363 ( -0.974 -1.419 2.071) 2.693 3.503 ( 0.256 -1.206 2.391) 2.690 3.581 ( 1.062 -4.042 0.274) 4.188 3.608 ( -0.291 -1.531 0.422) 1.615 3.660 ( -0.902 -3.975 -1.566) 4.366 3.770 ( 0.683 -2.032 -0.509) 2.203 3.812 ( 0.173 3.936 0.095) 3.941 3.843 ( -0.225 0.054 0.164) 0.283 3.986 ( -0.431 5.395 0.011) 5.412 4.013 ( -0.056 4.422 0.427) 4.443 4.274 ( -0.175 -5.484 1.358) 5.653 4.397 ( -0.802 -0.380 1.073) 1.392 4.423 ( -0.322 0.020 -0.714) 0.784 4.449 ( 0.842 -1.313 -1.868) 2.434 4.906 ( -0.376 1.238 -1.634) 2.084 5.079 ( 0.204 2.348 1.005) 2.562 11.080 ( 2.858 -17.034 1.204) 17.314 11.503 ( -5.035 -17.520 -1.153) 18.266 14.326 ( 1.263 10.945 0.549) 11.032 14.537 ( 0.148 15.588 -0.628) 15.601 16.075 ( 0.226 0.885 0.258) 0.949 16.272 ( -0.370 5.163 -0.000) 5.176 ======================= Grid point 156 (49/199) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.167 1.425 -0.017) 1.435 1.213 ( 0.025 -0.343 -0.575) 0.670 1.287 ( 0.092 -0.560 0.928) 1.088 1.409 ( -0.079 -2.722 -3.298) 4.277 1.441 ( -1.029 -1.819 1.223) 2.422 1.518 ( 3.450 2.212 1.180) 4.265 1.550 ( -0.688 -1.029 2.181) 2.508 1.616 ( -0.789 -7.331 1.345) 7.495 1.702 ( 0.299 -8.037 0.673) 8.070 1.782 ( -0.902 -5.988 -0.932) 6.127 1.788 ( 1.137 -2.594 1.295) 3.115 1.833 ( -2.515 -1.705 -2.362) 3.849 1.924 ( 0.107 1.649 -0.196) 1.664 1.949 ( 0.084 -1.814 -1.315) 2.242 2.096 ( 1.248 -0.855 1.393) 2.057 2.224 ( 0.241 4.467 1.394) 4.685 2.290 ( 1.115 4.439 0.434) 4.597 2.574 ( 0.992 -2.029 -4.017) 4.608 2.613 ( 0.395 -1.241 -2.231) 2.583 2.654 ( -0.872 -1.705 -1.639) 2.520 2.711 ( 0.397 -2.188 -0.505) 2.280 2.722 ( -0.384 -0.603 -1.401) 1.573 2.779 ( -0.471 1.149 -4.090) 4.275 3.009 ( 0.968 -3.618 -2.968) 4.779 3.127 ( -0.337 3.394 -1.629) 3.780 3.163 ( -0.298 -6.731 2.424) 7.161 3.228 ( -0.593 -0.006 2.462) 2.533 3.339 ( 0.427 -2.548 4.921) 5.558 3.367 ( 1.114 -2.071 4.279) 4.883 3.416 ( -1.543 -3.274 -0.111) 3.622 3.528 ( -0.066 -1.057 1.157) 1.569 3.622 ( -0.306 -0.140 0.497) 0.600 3.637 ( -0.685 -1.331 -0.148) 1.505 3.712 ( 1.149 3.693 -0.291) 3.878 3.763 ( -0.045 -3.471 -0.835) 3.570 3.802 ( 0.151 -0.744 -0.118) 0.769 3.818 ( -0.210 1.430 -0.391) 1.497 3.926 ( 0.196 0.957 0.072) 0.980 3.945 ( -0.216 2.304 0.590) 2.388 4.339 ( -0.345 -1.143 1.251) 1.730 4.416 ( -0.428 -1.335 0.316) 1.437 4.432 ( 0.223 -0.820 -0.634) 1.060 4.462 ( 0.190 0.082 -0.554) 0.592 4.900 ( -0.319 -0.913 -1.668) 1.928 5.042 ( 0.312 1.735 0.496) 1.831 11.400 ( 4.375 -12.723 0.564) 13.466 11.745 ( -6.074 -8.466 -0.320) 10.425 14.142 ( 0.357 7.197 0.061) 7.206 14.275 ( 0.771 10.010 -0.221) 10.043 16.084 ( -0.173 -1.545 0.095) 1.558 16.188 ( 0.172 3.443 -0.044) 3.447 ======================= Grid point 157 (50/199) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -0.004 -0.009 -0.054) 0.055 1.217 ( 0.244 -0.103 -0.944) 0.981 1.290 ( -0.277 0.151 1.150) 1.193 1.405 ( -0.266 1.774 -1.089) 2.099 1.455 ( 0.504 0.966 -0.813) 1.359 1.488 ( 0.786 0.465 -1.510) 1.764 1.568 ( -0.855 -0.664 2.801) 3.003 1.715 ( -0.235 -1.594 2.212) 2.737 1.806 ( -1.662 0.282 0.876) 1.900 1.823 ( 1.124 -0.302 0.664) 1.341 1.824 ( -0.321 -0.874 0.450) 1.034 1.858 ( 0.154 0.832 -0.280) 0.891 1.905 ( 0.389 -0.114 -1.455) 1.510 1.988 ( -0.029 -2.405 -0.494) 2.455 2.079 ( 0.194 1.616 -0.514) 1.707 2.180 ( -0.325 -1.479 0.897) 1.760 2.221 ( -0.259 2.686 1.189) 2.949 2.595 ( -0.064 0.370 -2.300) 2.330 2.617 ( 1.215 -0.578 -2.982) 3.271 2.669 ( 1.133 3.026 -3.300) 4.618 2.685 ( -0.112 -0.469 -1.835) 1.897 2.766 ( 2.821 -3.526 1.329) 4.707 2.840 ( -1.627 -5.264 -5.554) 7.823 3.048 ( 0.278 3.288 -2.734) 4.285 3.077 ( 0.513 -1.169 -1.760) 2.175 3.203 ( 0.406 1.882 3.001) 3.566 3.246 ( -2.185 -2.150 4.689) 5.602 3.361 ( -0.747 4.159 2.159) 4.745 3.367 ( -0.365 1.950 4.601) 5.011 3.467 ( 0.303 -1.395 0.483) 1.507 3.528 ( -0.367 1.324 -0.357) 1.420 3.600 ( -0.087 -1.319 0.422) 1.388 3.654 ( -0.236 0.188 0.636) 0.704 3.688 ( 0.076 -0.319 -0.145) 0.358 3.785 ( 0.359 0.403 -0.283) 0.609 3.799 ( -0.116 -0.074 -0.397) 0.420 3.832 ( 0.047 -0.948 -0.543) 1.094 3.915 ( -0.015 0.548 0.587) 0.803 3.926 ( -0.087 -0.280 0.036) 0.295 4.344 ( -0.378 0.165 1.033) 1.112 4.429 ( 0.151 0.363 -0.437) 0.588 4.448 ( 0.069 -0.573 -0.006) 0.577 4.455 ( 0.035 0.181 -0.189) 0.264 4.935 ( 0.101 -2.621 -0.487) 2.667 5.007 ( 0.112 1.955 -0.440) 2.007 11.552 ( -0.046 0.273 0.147) 0.314 11.812 ( -0.024 -0.321 0.152) 0.356 14.065 ( 0.014 0.211 -0.114) 0.241 14.173 ( 0.033 -0.169 -0.090) 0.195 16.122 ( -0.000 -0.140 -0.001) 0.140 16.133 ( -0.004 0.135 0.020) 0.137 ======================= Grid point 158 (51/199) ======================= q-point: (-0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.153 -1.436 -0.002) 1.444 1.214 ( 0.238 0.460 -0.685) 0.859 1.283 ( -0.503 0.590 1.198) 1.427 1.357 ( 1.619 2.752 -1.306) 3.450 1.441 ( 0.563 -0.053 0.596) 0.822 1.479 ( -0.721 1.128 -3.781) 4.011 1.566 ( -1.429 0.885 2.186) 2.758 1.654 ( -0.462 7.856 3.099) 8.457 1.679 ( 0.088 8.793 1.267) 8.884 1.775 ( 0.110 3.189 0.289) 3.204 1.788 ( -0.182 6.830 -0.895) 6.891 1.887 ( 2.249 0.029 0.408) 2.286 1.909 ( -0.455 -2.693 -2.393) 3.631 2.018 ( -0.246 3.895 1.556) 4.202 2.045 ( -1.851 -2.044 -0.144) 2.761 2.221 ( -1.253 -3.300 1.622) 3.885 2.277 ( -0.396 -6.437 -0.340) 6.458 2.580 ( 1.078 2.882 -4.637) 5.565 2.595 ( 1.333 1.001 -1.632) 2.333 2.623 ( 0.943 0.150 -0.857) 1.283 2.724 ( -0.097 -1.063 -1.679) 1.990 2.833 ( -0.177 -0.574 -3.170) 3.227 2.864 ( 0.408 3.849 -0.941) 3.983 2.992 ( 0.526 0.949 -2.322) 2.563 3.085 ( 1.241 -1.232 0.113) 1.752 3.154 ( -1.160 7.053 2.502) 7.573 3.228 ( 1.308 2.354 1.434) 3.051 3.262 ( -2.482 0.807 1.935) 3.249 3.334 ( -1.166 0.968 4.461) 4.712 3.452 ( 0.178 3.033 0.016) 3.039 3.481 ( 0.962 2.913 0.104) 3.070 3.615 ( 0.199 2.208 -0.636) 2.306 3.643 ( -0.114 0.533 1.616) 1.705 3.721 ( -0.718 -3.460 -0.332) 3.550 3.779 ( 0.657 2.214 0.643) 2.397 3.789 ( -0.420 0.692 -1.183) 1.433 3.832 ( -0.014 -0.463 -0.049) 0.465 3.924 ( -0.138 -1.776 0.164) 1.789 3.948 ( -0.207 -2.183 0.491) 2.247 4.335 ( -0.290 0.967 1.217) 1.581 4.401 ( 0.432 2.261 -0.215) 2.312 4.451 ( 0.263 0.418 -0.126) 0.510 4.459 ( -0.152 -0.367 -0.584) 0.706 4.965 ( -0.356 1.855 -1.485) 2.403 4.997 ( 0.370 -3.264 0.808) 3.383 11.393 ( -4.259 12.902 0.397) 13.593 11.754 ( 5.800 8.202 -0.112) 10.046 14.133 ( -0.207 -6.693 -0.144) 6.698 14.283 ( -0.807 -10.437 -0.052) 10.468 16.085 ( 0.108 1.510 0.116) 1.518 16.187 ( -0.135 -3.415 -0.060) 3.418 ======================= Grid point 159 (52/199) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.197 -1.779 0.367) 1.828 1.198 ( 0.825 1.453 -0.055) 1.672 1.265 ( 0.744 1.401 1.507) 2.188 1.298 ( 2.791 5.623 -0.500) 6.298 1.377 ( -1.956 11.196 -3.853) 12.001 1.422 ( 0.168 6.880 -1.739) 7.099 1.460 ( -1.009 0.823 0.321) 1.341 1.517 ( -2.396 5.926 1.559) 6.579 1.570 ( 0.205 0.983 2.780) 2.956 1.620 ( 1.448 8.194 -1.125) 8.397 1.707 ( 0.377 4.521 1.488) 4.774 1.831 ( 1.448 6.163 -0.279) 6.337 1.905 ( -0.876 2.718 0.298) 2.871 1.969 ( -0.124 1.152 -1.190) 1.661 2.060 ( -2.147 1.350 2.531) 3.583 2.294 ( -1.408 -3.760 0.962) 4.128 2.391 ( 0.434 -4.236 -2.232) 4.808 2.525 ( 0.044 2.728 -1.847) 3.295 2.578 ( 0.321 5.406 -1.455) 5.608 2.582 ( -0.370 8.385 -0.396) 8.403 2.631 ( 1.418 1.113 0.493) 1.869 2.772 ( 1.263 3.262 -0.807) 3.590 2.831 ( -0.612 0.210 -4.873) 4.916 2.940 ( -2.849 6.878 -1.658) 7.628 3.030 ( 1.647 0.502 2.396) 2.951 3.149 ( 1.649 -2.190 0.442) 2.777 3.206 ( 0.400 1.822 1.524) 2.409 3.239 ( -1.202 1.484 -0.077) 1.911 3.315 ( -1.310 1.248 3.029) 3.529 3.370 ( 0.005 4.129 0.752) 4.197 3.446 ( 2.104 0.833 0.200) 2.271 3.560 ( -0.008 3.497 -0.658) 3.558 3.613 ( -0.268 1.718 0.894) 1.955 3.691 ( 0.256 4.531 -0.110) 4.540 3.757 ( -0.219 0.848 -0.791) 1.180 3.807 ( 0.046 -2.437 0.019) 2.437 3.848 ( -0.062 -0.094 0.248) 0.273 4.004 ( -0.485 -6.255 0.206) 6.278 4.011 ( -0.020 -4.174 0.523) 4.206 4.286 ( -1.568 4.295 2.095) 5.029 4.354 ( 2.424 2.197 -0.734) 3.353 4.433 ( 0.396 1.296 -1.149) 1.777 4.467 ( -0.616 -0.731 -0.362) 1.022 4.939 ( -0.309 0.238 -1.279) 1.337 5.065 ( -0.108 -3.363 1.051) 3.525 11.073 ( -2.920 17.066 1.001) 17.343 11.514 ( 4.915 17.375 -0.876) 18.078 14.306 ( -0.532 -10.167 0.056) 10.181 14.554 ( -0.691 -16.236 -0.206) 16.252 16.077 ( -0.476 -1.048 0.314) 1.193 16.270 ( 0.480 -5.016 -0.050) 5.039 ======================= Grid point 160 (53/199) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -2.015 2.737 2.018) 3.953 1.059 ( 0.778 13.365 -2.010) 13.537 1.085 ( -0.759 14.874 1.926) 15.017 1.185 ( 1.960 2.802 -1.228) 3.633 1.241 ( 2.167 2.384 1.730) 3.656 1.340 ( -1.699 2.153 -5.587) 6.224 1.372 ( -2.800 6.264 -1.301) 6.983 1.454 ( -0.394 1.742 -1.037) 2.065 1.503 ( 0.852 3.289 -1.524) 3.724 1.568 ( 3.216 1.896 0.455) 3.761 1.599 ( 0.937 6.410 2.133) 6.820 1.704 ( 0.294 5.619 1.557) 5.838 1.823 ( -0.427 4.914 3.333) 5.953 1.891 ( -2.826 13.010 1.858) 13.442 1.931 ( 0.022 4.383 1.080) 4.514 2.328 ( -1.310 2.721 -1.325) 3.297 2.354 ( 0.781 6.847 0.511) 6.910 2.432 ( -0.746 0.316 -0.711) 1.078 2.468 ( 1.510 2.592 -0.111) 3.002 2.544 ( -0.279 1.470 -2.483) 2.899 2.611 ( -0.067 1.862 0.842) 2.045 2.689 ( 1.384 5.561 -0.652) 5.767 2.786 ( -0.415 1.739 -0.697) 1.918 2.867 ( -1.626 0.859 -4.487) 4.849 3.019 ( 0.522 1.022 0.606) 1.298 3.124 ( 0.308 4.800 -0.334) 4.822 3.152 ( 0.923 6.929 -1.576) 7.165 3.201 ( -0.133 -0.120 2.035) 2.043 3.273 ( -1.247 2.655 1.751) 3.416 3.313 ( 0.539 2.138 2.746) 3.522 3.438 ( 1.565 0.866 -1.180) 2.142 3.498 ( -0.125 1.291 -0.236) 1.318 3.592 ( 0.495 0.949 0.537) 1.197 3.640 ( -0.461 0.888 0.027) 1.001 3.713 ( -0.964 3.311 -0.322) 3.463 3.807 ( 0.496 3.473 0.297) 3.520 3.842 ( 0.316 0.918 0.877) 1.309 4.058 ( -0.289 2.459 -0.724) 2.580 4.121 ( -0.103 -1.974 1.117) 2.271 4.244 ( -1.742 -6.748 0.642) 6.998 4.349 ( 3.592 -1.480 -1.967) 4.355 4.411 ( 0.345 0.478 -1.656) 1.758 4.492 ( -1.296 -2.352 0.922) 2.839 4.961 ( -0.116 -2.774 -0.918) 2.925 5.134 ( -0.363 -3.630 1.456) 3.928 10.702 ( -1.375 19.772 1.909) 19.912 11.111 ( 3.264 23.799 -2.599) 24.162 14.519 ( -0.201 -10.940 0.696) 10.964 14.905 ( -0.843 -18.998 -0.706) 19.030 16.135 ( -1.166 -5.210 1.032) 5.438 16.401 ( 1.017 -8.069 0.177) 8.135 ======================= Grid point 161 (54/199) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -1.319 15.577 4.392) 16.238 0.724 ( -3.816 17.409 3.444) 18.152 0.977 ( 0.341 0.413 -1.745) 1.826 1.095 ( 2.171 6.880 -3.266) 7.919 1.202 ( -0.320 7.066 2.633) 7.547 1.211 ( -0.949 8.290 -3.982) 9.246 1.282 ( 0.989 4.575 0.731) 4.738 1.383 ( 0.370 5.881 -4.145) 7.204 1.396 ( -0.843 6.472 1.627) 6.726 1.467 ( -1.092 4.840 1.690) 5.242 1.532 ( 3.818 2.632 -3.897) 6.057 1.585 ( -1.762 5.815 -2.564) 6.595 1.679 ( 1.849 2.995 5.303) 6.364 1.748 ( -0.560 1.711 4.615) 4.953 1.900 ( 0.120 -0.584 2.379) 2.452 2.173 ( -0.715 10.167 -0.618) 10.211 2.216 ( 0.460 9.016 0.228) 9.031 2.384 ( 1.906 5.717 -1.106) 6.127 2.389 ( -1.974 4.444 -1.118) 4.989 2.555 ( 0.875 -1.129 -2.112) 2.549 2.571 ( -1.826 0.517 -0.347) 1.929 2.619 ( 0.372 2.049 -0.074) 2.084 2.761 ( -3.589 2.200 -4.741) 6.341 2.828 ( 2.598 0.902 1.264) 3.027 2.968 ( 2.271 9.131 -0.670) 9.433 2.992 ( 0.720 7.249 -0.900) 7.340 3.036 ( 0.536 -0.724 -0.618) 1.092 3.186 ( -0.147 5.346 2.951) 6.108 3.210 ( -0.297 -0.400 2.401) 2.452 3.310 ( -1.702 -0.793 0.429) 1.926 3.438 ( 4.313 3.042 -1.984) 5.638 3.448 ( -2.279 1.805 -2.695) 3.964 3.560 ( 0.475 3.001 -0.573) 3.092 3.595 ( -0.743 6.745 0.240) 6.790 3.639 ( -0.912 1.586 3.319) 3.789 3.724 ( 1.156 7.697 2.005) 8.037 3.738 ( -0.650 4.504 2.184) 5.047 3.995 ( -1.318 0.649 -1.106) 1.839 4.132 ( 3.220 0.644 -7.212) 7.925 4.402 ( -1.119 -3.172 -1.010) 3.512 4.431 ( 0.713 -4.999 1.123) 5.173 4.471 ( -0.049 -9.593 -1.207) 9.669 4.561 ( -0.706 -4.868 2.383) 5.466 5.044 ( 0.221 -5.408 -0.906) 5.488 5.218 ( -0.210 -4.926 2.099) 5.359 10.253 ( -0.807 25.460 2.282) 25.574 10.604 ( 3.246 27.243 -6.757) 28.255 14.735 ( 1.740 -10.257 2.533) 10.708 15.292 ( -2.170 -19.749 -1.850) 19.954 16.285 ( -2.794 -10.493 3.799) 11.504 16.601 ( 1.225 -11.319 1.157) 11.443 ======================= Grid point 162 (55/199) ======================= q-point: (-0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 1.772 12.467 8.661) 15.283 0.436 ( -7.019 9.293 11.709) 16.514 0.743 ( -0.349 23.923 10.211) 26.014 0.994 ( 1.579 -1.755 -2.574) 3.493 1.032 ( 2.840 2.860 -3.328) 5.227 1.075 ( 0.379 10.219 0.820) 10.259 1.228 ( -2.336 2.441 -1.595) 3.736 1.252 ( 1.399 5.188 -0.144) 5.375 1.298 ( 0.798 4.496 -1.066) 4.689 1.419 ( 0.310 -0.950 -2.925) 3.091 1.513 ( 0.229 -0.367 -2.093) 2.137 1.549 ( -1.929 -0.730 -3.302) 3.893 1.664 ( -0.700 -1.474 0.108) 1.635 1.755 ( 1.387 -0.754 5.722) 5.936 1.931 ( 0.329 2.695 0.926) 2.869 1.979 ( -1.172 3.928 1.660) 4.423 2.011 ( 0.019 9.991 -2.641) 10.334 2.228 ( -0.537 9.043 -2.676) 9.446 2.326 ( -0.334 1.000 0.243) 1.082 2.486 ( -0.409 7.434 0.306) 7.451 2.572 ( -0.230 -0.958 -3.440) 3.579 2.605 ( -1.420 -0.183 -3.198) 3.504 2.731 ( -0.887 -0.890 -1.136) 1.694 2.806 ( 2.518 5.775 -2.529) 6.788 2.838 ( 0.122 3.920 1.036) 4.056 2.862 ( 2.498 3.644 -0.040) 4.418 3.069 ( 0.868 -1.811 -1.793) 2.692 3.099 ( -0.145 4.000 2.415) 4.675 3.178 ( 0.567 4.982 -1.308) 5.182 3.261 ( -3.722 1.186 1.114) 4.062 3.342 ( 1.714 5.448 2.191) 6.117 3.428 ( 0.120 7.652 -0.331) 7.660 3.437 ( 0.033 8.545 0.755) 8.579 3.468 ( 1.531 -0.580 -3.032) 3.446 3.547 ( 2.437 6.829 -2.180) 7.571 3.624 ( 1.116 2.238 0.804) 2.627 3.733 ( -0.541 -0.692 2.655) 2.797 3.971 ( -8.334 1.898 -4.745) 9.776 4.133 ( 7.776 -0.826 -8.232) 11.354 4.432 ( -0.793 -1.492 -0.540) 1.773 4.537 ( -1.336 -4.180 1.950) 4.802 4.631 ( -1.793 -5.502 -0.003) 5.787 4.692 ( 1.598 -7.820 3.155) 8.583 5.164 ( 0.880 -5.790 0.673) 5.894 5.329 ( 0.175 -5.688 1.887) 5.996 9.720 ( 0.115 25.111 -0.447) 25.115 10.016 ( 3.705 34.596 -17.248) 38.834 14.948 ( 9.271 -9.289 7.144) 14.942 15.634 ( -4.109 -14.378 -3.682) 15.400 16.568 ( -8.687 -21.298 11.729) 25.819 16.839 ( -0.112 -11.205 4.487) 12.070 ======================= Grid point 164 (56/199) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( 4.225 -0.000 10.686) 11.491 0.279 ( -3.267 0.000 14.213) 14.584 0.634 ( 14.083 -0.000 24.259) 28.050 0.919 ( -2.666 0.000 1.235) 2.938 1.018 ( -1.060 0.000 -3.138) 3.312 1.078 ( 2.735 -0.000 -1.106) 2.950 1.110 ( 0.559 -0.000 -2.249) 2.317 1.229 ( 0.177 -0.000 -1.529) 1.539 1.241 ( -1.642 0.000 -2.366) 2.880 1.428 ( -3.056 0.000 -4.116) 5.127 1.509 ( -3.033 0.000 -2.241) 3.771 1.543 ( 0.526 -0.000 -1.504) 1.593 1.742 ( 1.195 -0.000 0.172) 1.208 1.758 ( 2.164 -0.000 1.110) 2.432 1.834 ( -0.744 0.000 -0.251) 0.785 1.871 ( 0.791 -0.000 1.529) 1.722 2.015 ( -6.459 0.000 -3.619) 7.404 2.051 ( 0.053 -0.000 0.032) 0.062 2.338 ( -0.639 0.000 -0.989) 1.178 2.366 ( 3.180 -0.000 -0.530) 3.224 2.503 ( 0.881 -0.000 0.996) 1.329 2.590 ( 1.134 -0.000 -3.608) 3.782 2.668 ( -3.711 0.000 -3.241) 4.927 2.758 ( -0.660 0.000 0.095) 0.667 2.772 ( 0.464 -0.000 0.062) 0.468 2.788 ( 0.552 -0.000 0.362) 0.660 3.011 ( -1.891 0.000 -0.892) 2.090 3.118 ( 0.560 -0.000 -0.865) 1.030 3.186 ( 2.480 -0.000 5.494) 6.027 3.228 ( 0.043 -0.000 0.043) 0.060 3.255 ( -0.711 0.000 2.675) 2.768 3.265 ( -0.180 0.000 0.552) 0.580 3.341 ( 0.198 -0.000 -0.323) 0.379 3.351 ( -0.054 0.000 -0.290) 0.295 3.562 ( 5.251 -0.000 1.052) 5.355 3.593 ( -0.385 0.000 -1.724) 1.767 3.749 ( 0.625 -0.000 4.220) 4.266 3.800 ( -10.756 0.000 6.723) 12.684 4.221 ( 1.452 -0.000 -10.999) 11.095 4.456 ( 1.657 -0.000 -1.671) 2.353 4.565 ( -1.755 0.000 3.334) 3.767 4.672 ( -1.348 0.000 0.433) 1.415 4.841 ( 1.375 -0.000 -1.351) 1.927 5.264 ( 1.740 -0.000 3.412) 3.830 5.425 ( -0.589 0.000 -1.956) 2.043 9.253 ( 0.897 -0.000 -0.122) 0.906 9.457 ( -0.885 0.000 0.116) 0.893 15.360 ( 22.198 -0.000 -8.592) 23.803 15.757 ( 3.468 -0.000 -5.977) 6.910 16.836 ( -34.280 0.000 10.437) 35.834 16.985 ( 1.821 -0.000 6.918) 7.154 ======================= Grid point 165 (57/199) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -0.261 -11.271 8.327) 14.016 0.492 ( 6.958 -9.562 10.878) 16.068 0.821 ( 4.364 -15.207 6.760) 17.205 0.989 ( -0.770 1.287 -2.335) 2.775 1.045 ( -1.825 -6.951 2.794) 7.711 1.082 ( 2.518 -3.496 -3.762) 5.720 1.184 ( -3.061 -5.086 -0.716) 5.979 1.276 ( 2.118 -4.977 0.981) 5.497 1.296 ( -0.286 -5.508 -1.211) 5.647 1.397 ( -1.651 0.914 -2.650) 3.253 1.474 ( -3.857 0.536 -2.717) 4.748 1.539 ( 1.002 -0.904 -2.020) 2.430 1.676 ( 2.258 1.244 -0.777) 2.693 1.794 ( 1.316 0.870 4.949) 5.195 1.922 ( -2.857 1.494 0.836) 3.330 1.967 ( -0.252 -9.118 0.392) 9.130 2.006 ( 0.356 -11.408 -2.034) 11.593 2.194 ( -2.295 -9.318 -2.425) 9.898 2.333 ( 1.237 -1.534 0.238) 1.985 2.492 ( 0.457 -3.805 -0.605) 3.880 2.525 ( -2.462 -0.759 -3.446) 4.302 2.598 ( 0.643 -0.123 -1.636) 1.762 2.722 ( -0.082 1.716 -0.897) 1.938 2.802 ( -1.325 -7.251 -3.025) 7.968 2.845 ( 0.421 -7.394 0.231) 7.409 2.901 ( 2.280 -2.267 1.382) 3.500 3.061 ( -1.607 -2.611 -3.496) 4.650 3.089 ( -0.625 -3.510 0.658) 3.625 3.181 ( -0.563 -0.302 2.065) 2.161 3.241 ( -0.169 0.816 2.464) 2.601 3.347 ( -0.654 -5.084 -2.830) 5.855 3.430 ( 0.165 -7.366 -0.190) 7.370 3.439 ( -0.411 -9.285 1.230) 9.375 3.496 ( 2.504 -6.646 -4.265) 8.284 3.579 ( 3.448 -0.638 -0.534) 3.547 3.647 ( 1.765 -4.803 1.102) 5.234 3.737 ( -0.688 1.295 3.941) 4.205 3.815 ( -9.837 -5.984 0.603) 11.530 4.150 ( -1.018 3.656 -9.646) 10.366 4.438 ( 1.874 1.920 -1.225) 2.949 4.528 ( -1.326 3.216 2.395) 4.223 4.611 ( -0.902 5.409 0.147) 5.486 4.723 ( 1.347 8.722 1.988) 9.046 5.180 ( 0.796 7.120 1.011) 7.235 5.333 ( -0.465 5.523 1.381) 5.712 9.715 ( -0.476 -25.511 -0.756) 25.527 9.938 ( -5.566 -37.067 -12.537) 39.524 15.140 ( 10.856 18.311 3.962) 21.653 15.582 ( 0.147 14.855 -4.154) 15.426 16.466 ( -9.009 12.963 10.398) 18.903 16.870 ( 1.227 11.457 5.129) 12.612 ======================= Grid point 166 (58/199) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.137 -15.810 3.973) 16.302 0.746 ( 4.798 -13.092 5.584) 15.021 0.968 ( -1.896 -2.057 -2.890) 4.022 1.051 ( -1.721 -5.927 -2.754) 6.758 1.129 ( -4.224 -4.984 -3.953) 7.636 1.235 ( 0.749 -4.840 -1.050) 5.009 1.297 ( -0.137 -4.237 0.038) 4.240 1.376 ( 1.091 -1.559 -2.259) 2.954 1.397 ( 0.686 -6.300 1.255) 6.461 1.472 ( 0.547 -11.218 3.045) 11.637 1.540 ( -1.418 -9.887 0.018) 9.988 1.590 ( 2.781 -2.590 -3.860) 5.417 1.726 ( -0.249 -5.756 3.540) 6.763 1.777 ( 0.630 1.289 4.581) 4.800 1.897 ( -1.698 -0.473 2.236) 2.847 2.176 ( 1.139 -9.491 0.187) 9.561 2.238 ( 1.413 -10.215 -0.063) 10.313 2.320 ( -2.956 -4.461 -2.446) 5.884 2.429 ( 2.468 -6.751 -0.106) 7.189 2.520 ( -1.824 -0.988 -1.888) 2.805 2.557 ( -1.029 -2.168 -0.942) 2.578 2.593 ( -0.631 -0.575 -1.296) 1.553 2.710 ( 0.251 -0.144 -1.969) 1.990 2.882 ( 1.533 0.264 0.579) 1.660 2.966 ( -0.607 -7.664 -2.355) 8.041 3.019 ( 0.289 -1.324 -2.076) 2.479 3.065 ( 2.508 -6.478 1.721) 7.156 3.186 ( -1.049 -2.883 2.173) 3.760 3.225 ( 0.071 0.907 2.775) 2.920 3.257 ( -1.955 -6.526 0.684) 6.847 3.390 ( -1.438 -0.831 -5.229) 5.486 3.532 ( 3.191 0.465 0.658) 3.291 3.565 ( 0.156 -4.457 -0.826) 4.535 3.607 ( 2.696 -5.956 -0.661) 6.572 3.628 ( -1.977 0.668 4.520) 4.979 3.728 ( -1.445 -4.502 2.547) 5.371 3.774 ( 2.425 -7.604 2.438) 8.345 3.903 ( -5.257 -4.147 -3.161) 7.405 4.123 ( -0.705 -1.457 -6.159) 6.368 4.390 ( 0.235 5.264 -0.533) 5.296 4.432 ( -0.442 4.684 0.295) 4.714 4.491 ( 1.894 4.868 -1.109) 5.340 4.551 ( -1.300 8.089 2.329) 8.517 5.045 ( 0.262 5.867 -0.788) 5.926 5.226 ( -0.194 5.102 2.006) 5.485 10.254 ( -0.140 -25.958 2.193) 26.051 10.561 ( -3.228 -28.898 -6.241) 29.740 14.839 ( 4.468 14.927 3.109) 15.888 15.236 ( -0.921 18.277 -2.542) 18.476 16.258 ( -0.881 8.111 2.574) 8.555 16.617 ( -0.702 12.588 2.053) 12.773 ======================= Grid point 167 (59/199) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.874 -2.167 1.753) 2.921 1.021 ( -1.777 -14.323 0.002) 14.433 1.091 ( 0.628 -10.747 -0.921) 10.804 1.175 ( 1.161 -5.306 -1.007) 5.524 1.217 ( -5.988 -6.761 3.442) 9.665 1.306 ( 0.754 -5.048 -5.427) 7.450 1.377 ( 3.837 -2.700 -1.530) 4.935 1.403 ( -1.105 -4.986 -1.600) 5.352 1.527 ( 1.330 -4.134 0.477) 4.369 1.614 ( 0.278 -3.596 -1.407) 3.871 1.684 ( -0.025 -6.223 0.749) 6.268 1.736 ( 0.033 0.947 3.666) 3.786 1.802 ( -1.666 -9.889 -1.620) 10.158 1.876 ( 1.177 -6.731 5.837) 8.987 1.925 ( -0.486 -2.263 0.980) 2.514 2.300 ( 0.002 -3.574 0.147) 3.577 2.385 ( 0.744 -4.609 -2.213) 5.167 2.433 ( 1.000 -5.156 0.665) 5.294 2.491 ( -0.050 -1.159 0.131) 1.167 2.531 ( 0.452 1.261 -0.994) 1.668 2.625 ( 1.388 -5.576 1.215) 5.873 2.667 ( -3.443 -5.003 -4.827) 7.758 2.740 ( 1.661 -4.937 -1.122) 5.328 2.866 ( 0.584 1.670 1.339) 2.219 3.006 ( -0.519 -0.028 -4.490) 4.520 3.109 ( -0.631 -6.015 0.596) 6.077 3.199 ( -0.067 -2.045 0.954) 2.258 3.215 ( 1.306 -1.728 -0.106) 2.168 3.250 ( -0.228 -3.269 1.433) 3.576 3.353 ( 0.444 -1.677 2.666) 3.181 3.424 ( -1.347 -5.554 -1.057) 5.812 3.527 ( 0.352 0.003 1.197) 1.248 3.600 ( -0.749 0.730 1.360) 1.716 3.613 ( 0.047 -1.462 -1.428) 2.044 3.716 ( 1.150 -3.888 -0.466) 4.081 3.808 ( -0.594 -3.352 0.333) 3.420 3.857 ( -0.282 0.381 1.173) 1.265 4.033 ( -0.378 -6.563 -1.056) 6.658 4.109 ( -0.830 3.491 0.912) 3.702 4.220 ( 0.146 6.299 -0.634) 6.333 4.411 ( 0.559 0.149 -0.557) 0.802 4.423 ( -2.065 2.369 0.207) 3.150 4.442 ( 1.367 1.425 -1.002) 2.215 4.953 ( 0.170 3.508 -0.846) 3.612 5.139 ( -0.096 3.627 1.384) 3.884 10.718 ( 1.429 -20.481 2.061) 20.634 11.071 ( -4.002 -23.633 -2.726) 24.124 14.574 ( 2.235 13.084 1.041) 13.314 14.870 ( -0.361 17.598 -1.032) 17.632 16.131 ( 0.559 4.620 0.636) 4.697 16.402 ( -1.108 8.475 0.524) 8.563 ======================= Grid point 168 (60/199) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.035 1.818 0.308) 1.844 1.196 ( -0.839 -1.851 -0.028) 2.032 1.252 ( -0.375 -4.233 1.055) 4.379 1.278 ( -2.036 -8.717 -1.540) 9.083 1.371 ( -0.623 -5.264 -0.421) 5.318 1.446 ( 1.828 -8.966 -0.274) 9.155 1.468 ( 0.776 -7.144 -0.223) 7.189 1.561 ( 4.503 -1.677 2.224) 5.295 1.574 ( 0.103 -7.120 -1.846) 7.356 1.667 ( -2.170 0.980 -0.049) 2.381 1.709 ( 0.260 -4.944 1.875) 5.294 1.806 ( -3.745 -2.576 -1.221) 4.706 1.892 ( 1.291 -2.057 -1.506) 2.858 1.950 ( 0.525 -0.182 1.114) 1.245 2.026 ( 0.173 -6.461 2.529) 6.940 2.313 ( 1.705 2.850 1.132) 3.509 2.385 ( -0.104 4.088 -1.329) 4.300 2.536 ( 0.975 -2.508 -1.461) 3.062 2.543 ( 0.235 -7.028 -1.666) 7.227 2.559 ( -0.319 -3.039 -1.571) 3.436 2.663 ( -0.939 -0.493 -2.073) 2.329 2.741 ( -0.342 -2.626 -0.479) 2.692 2.806 ( 1.055 2.504 0.837) 2.843 2.933 ( 2.174 -7.141 -0.772) 7.505 3.019 ( -1.168 -3.836 -3.811) 5.532 3.177 ( -0.558 1.165 0.893) 1.570 3.199 ( -1.302 -2.077 1.913) 3.109 3.290 ( 1.377 -4.158 -0.410) 4.399 3.317 ( 0.163 -2.799 2.545) 3.787 3.360 ( -0.904 -0.646 1.909) 2.209 3.504 ( -1.052 -1.480 1.592) 2.415 3.587 ( 0.480 -3.760 0.652) 3.846 3.607 ( -0.332 -1.387 0.447) 1.494 3.654 ( 0.025 -4.340 -1.441) 4.573 3.773 ( 0.517 -1.872 -0.787) 2.095 3.812 ( -0.001 3.800 0.033) 3.800 3.842 ( -0.141 0.036 0.212) 0.258 3.985 ( -0.143 4.983 0.305) 4.994 4.014 ( -0.066 4.774 0.357) 4.788 4.276 ( 0.215 -5.619 1.050) 5.720 4.386 ( -2.601 -0.478 1.704) 3.147 4.424 ( 0.874 -0.180 -1.186) 1.485 4.452 ( 0.925 -1.030 -1.727) 2.213 4.903 ( 0.133 1.418 -1.068) 1.780 5.082 ( 0.034 2.291 0.774) 2.418 11.107 ( 4.023 -17.637 1.204) 18.130 11.460 ( -6.458 -17.049 -1.085) 18.264 14.335 ( 1.029 11.324 0.170) 11.372 14.539 ( 0.518 15.293 -0.308) 15.305 16.077 ( 0.355 1.065 0.205) 1.141 16.269 ( -0.502 4.926 0.052) 4.952 ======================= Grid point 169 (61/199) ======================= q-point: ( 0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.171 1.418 0.005) 1.429 1.212 ( 0.035 -0.446 -0.499) 0.670 1.289 ( 0.107 -0.509 0.868) 1.012 1.401 ( -0.859 -3.701 -3.237) 4.991 1.436 ( -0.571 -1.040 0.084) 1.189 1.537 ( 1.092 1.579 1.308) 2.323 1.548 ( -0.723 -1.100 1.883) 2.298 1.624 ( 2.251 -5.614 1.716) 6.287 1.703 ( -0.215 -7.773 0.010) 7.776 1.772 ( -1.862 -4.307 -0.118) 4.693 1.798 ( 1.117 -3.059 1.585) 3.622 1.813 ( -1.933 -4.351 -2.153) 5.226 1.925 ( 0.151 1.970 -0.012) 1.976 1.951 ( 1.021 -1.845 -1.069) 2.364 2.105 ( 0.757 -0.694 0.910) 1.372 2.227 ( 0.190 5.197 1.216) 5.341 2.298 ( 0.816 4.060 0.195) 4.146 2.575 ( 1.080 -1.809 -3.874) 4.410 2.611 ( 0.282 -0.286 -2.643) 2.673 2.642 ( -1.543 -3.296 -1.968) 4.138 2.709 ( -0.068 -5.968 -1.237) 6.095 2.727 ( 1.511 2.636 1.173) 3.257 2.775 ( 0.765 1.985 -2.442) 3.239 3.010 ( 0.735 -3.744 -3.184) 4.970 3.121 ( -0.452 3.459 -2.002) 4.022 3.166 ( -0.002 -6.393 1.939) 6.681 3.227 ( -1.019 -0.685 2.570) 2.848 3.345 ( -0.786 -1.978 4.125) 4.642 3.382 ( 0.987 -1.795 3.544) 4.094 3.406 ( -1.382 -3.896 -0.142) 4.136 3.526 ( -0.973 -0.987 0.181) 1.397 3.621 ( -0.250 0.208 0.915) 0.971 3.633 ( -0.505 -1.385 -0.278) 1.500 3.720 ( 1.124 3.706 -0.088) 3.873 3.762 ( 0.191 -3.932 -0.700) 3.998 3.802 ( 0.124 -0.623 -0.225) 0.673 3.817 ( -0.060 1.514 -0.180) 1.526 3.928 ( 0.198 1.158 0.156) 1.185 3.945 ( -0.212 2.056 0.518) 2.131 4.338 ( -0.466 -0.957 1.133) 1.554 4.413 ( -0.616 -1.867 0.370) 2.000 4.434 ( 0.534 -0.629 -0.662) 1.058 4.462 ( 0.125 0.146 -0.501) 0.536 4.898 ( 0.400 -0.928 -0.834) 1.311 5.043 ( -0.073 1.765 0.043) 1.767 11.437 ( 5.848 -12.291 0.516) 13.621 11.697 ( -7.508 -9.316 -0.239) 11.967 14.144 ( 0.161 7.391 -0.115) 7.393 14.281 ( 0.928 10.067 -0.075) 10.110 16.083 ( -0.151 -1.392 0.085) 1.403 16.189 ( 0.153 3.279 -0.030) 3.283 ======================= Grid point 170 (62/199) ======================= q-point: (-0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.015 -0.086 -0.055) 0.103 1.217 ( 0.252 -0.093 -0.937) 0.975 1.290 ( -0.272 0.291 1.139) 1.207 1.402 ( 0.046 1.727 -1.074) 2.034 1.452 ( -0.418 -0.786 -1.721) 1.938 1.495 ( 1.329 2.194 -0.482) 2.610 1.567 ( -0.737 -0.394 2.788) 2.911 1.721 ( 0.653 -2.294 2.239) 3.272 1.789 ( -3.051 -0.090 1.039) 3.224 1.820 ( -0.241 0.363 -0.004) 0.436 1.835 ( 1.183 -0.898 0.129) 1.491 1.861 ( 0.543 0.479 0.500) 0.880 1.905 ( 0.292 -0.063 -1.447) 1.477 1.987 ( 0.042 -2.117 -0.588) 2.197 2.080 ( 0.237 2.045 -0.505) 2.120 2.180 ( -0.171 -1.620 0.932) 1.877 2.220 ( -0.556 3.348 1.137) 3.579 2.593 ( 0.515 0.136 -2.260) 2.322 2.620 ( 0.994 -1.172 -3.034) 3.401 2.671 ( 1.271 4.036 -3.927) 5.773 2.682 ( 0.064 -1.197 -0.356) 1.250 2.772 ( -1.250 -3.325 -2.761) 4.500 2.834 ( 2.262 -5.117 -1.811) 5.880 3.045 ( 0.247 3.427 -2.664) 4.348 3.077 ( 0.487 -1.749 -1.964) 2.674 3.209 ( -0.334 0.980 2.554) 2.756 3.242 ( -1.225 -0.807 5.392) 5.588 3.350 ( -1.974 3.188 0.859) 3.847 3.377 ( 0.057 2.769 5.084) 5.790 3.469 ( 0.093 -1.595 0.326) 1.631 3.526 ( 0.061 0.919 0.105) 0.927 3.599 ( -0.126 -1.272 0.327) 1.319 3.653 ( -0.302 -0.224 0.687) 0.783 3.689 ( 0.141 0.486 -0.218) 0.551 3.785 ( 0.042 0.353 -0.729) 0.811 3.799 ( 0.179 -0.089 0.056) 0.208 3.832 ( 0.069 -0.939 -0.527) 1.079 3.916 ( -0.030 0.290 0.519) 0.595 3.925 ( -0.077 0.066 0.075) 0.126 4.343 ( -0.336 0.050 1.069) 1.122 4.429 ( 0.191 0.353 -0.454) 0.606 4.448 ( -0.082 -0.540 -0.017) 0.546 4.455 ( 0.108 0.145 -0.185) 0.259 4.935 ( 0.127 -2.449 -0.477) 2.498 5.007 ( 0.093 1.831 -0.450) 1.888 11.552 ( -0.123 2.957 0.149) 2.964 11.812 ( 0.058 -3.656 0.151) 3.660 14.064 ( -0.065 0.221 -0.112) 0.257 14.173 ( 0.104 0.265 -0.091) 0.299 16.122 ( 0.001 -1.459 -0.001) 1.459 16.133 ( -0.005 1.467 0.020) 1.467 ======================= Grid point 171 (63/199) ======================= q-point: (-0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.118 -1.444 -0.027) 1.449 1.215 ( 0.192 0.372 -0.752) 0.861 1.282 ( -0.329 0.489 1.266) 1.396 1.370 ( 2.494 1.957 -0.768) 3.262 1.446 ( 0.167 0.475 1.436) 1.521 1.470 ( -0.233 1.472 -3.827) 4.107 1.559 ( -1.540 1.182 2.302) 3.012 1.657 ( -0.400 7.765 2.930) 8.309 1.682 ( 0.246 9.517 1.215) 9.598 1.769 ( -1.239 1.826 0.506) 2.264 1.790 ( 0.886 7.145 -1.336) 7.322 1.893 ( -0.446 -1.501 -1.490) 2.162 1.909 ( 1.633 -1.416 -1.073) 2.413 2.007 ( -2.529 3.588 -1.109) 4.528 2.044 ( 0.539 -1.289 2.379) 2.759 2.216 ( -0.976 -2.940 1.806) 3.585 2.274 ( -0.164 -6.471 -0.195) 6.476 2.579 ( 0.980 2.854 -4.665) 5.556 2.603 ( 1.466 1.084 -1.682) 2.481 2.629 ( 1.106 0.070 -0.325) 1.155 2.720 ( -0.089 -1.136 -1.905) 2.220 2.816 ( -2.221 0.136 -4.986) 5.460 2.858 ( -1.030 3.142 -2.974) 4.447 2.993 ( 0.946 1.599 -2.424) 3.055 3.100 ( 2.346 -1.893 1.501) 3.368 3.153 ( -0.537 7.505 3.065) 8.124 3.235 ( -0.543 -0.295 1.629) 1.743 3.256 ( 0.216 2.924 3.153) 4.306 3.335 ( -0.846 1.246 4.930) 5.155 3.450 ( -0.476 3.116 -0.524) 3.195 3.491 ( 1.420 2.497 1.039) 3.055 3.616 ( 0.400 2.156 -0.585) 2.269 3.645 ( -0.158 0.810 1.468) 1.684 3.715 ( -0.781 -3.814 -0.553) 3.932 3.782 ( -0.388 2.685 -0.457) 2.752 3.787 ( 0.540 0.373 -0.075) 0.661 3.831 ( -0.215 -0.564 -0.332) 0.689 3.923 ( -0.035 -1.534 0.105) 1.538 3.947 ( -0.257 -2.347 0.567) 2.428 4.335 ( -0.232 1.105 1.334) 1.748 4.405 ( 0.640 1.927 -0.270) 2.049 4.450 ( -0.377 0.279 0.162) 0.496 4.457 ( 0.205 -0.131 -0.872) 0.905 4.953 ( -1.575 1.019 -2.849) 3.412 5.007 ( 1.318 -2.341 1.792) 3.229 11.370 ( -2.590 13.092 0.479) 13.355 11.787 ( 3.679 7.660 -0.231) 8.501 14.132 ( -0.034 -6.602 0.025) 6.602 14.277 ( -0.680 -10.320 -0.190) 10.344 16.086 ( 0.054 1.655 0.123) 1.661 16.186 ( -0.080 -3.569 -0.070) 3.571 ======================= Grid point 172 (64/199) ======================= q-point: (-0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.192 -1.586 0.376) 1.641 1.203 ( 0.586 1.016 -0.062) 1.174 1.266 ( -0.672 1.822 0.728) 2.074 1.321 ( 3.402 5.385 -2.178) 6.732 1.363 ( -0.043 10.408 -1.455) 10.509 1.420 ( 0.126 6.712 -1.488) 6.877 1.448 ( -2.552 3.793 1.728) 4.888 1.507 ( -1.029 4.841 1.295) 5.115 1.576 ( 0.478 1.576 1.339) 2.122 1.629 ( 1.418 6.919 0.201) 7.065 1.712 ( 0.315 4.225 1.492) 4.491 1.839 ( 1.037 6.701 -0.222) 6.784 1.900 ( -0.665 1.958 -0.166) 2.075 1.965 ( -0.433 0.823 -1.407) 1.687 2.047 ( -2.453 2.196 1.881) 3.791 2.288 ( -0.776 -3.828 1.175) 4.079 2.390 ( 0.424 -4.317 -2.194) 4.862 2.523 ( 0.353 2.768 -1.833) 3.339 2.575 ( -1.006 12.044 -0.593) 12.100 2.577 ( 0.052 1.822 -2.497) 3.092 2.643 ( 1.605 0.814 0.897) 2.011 2.779 ( 1.015 2.967 -0.781) 3.232 2.820 ( -0.486 -1.091 -4.494) 4.650 2.917 ( -2.644 7.595 -1.658) 8.211 3.039 ( 0.612 0.874 -0.080) 1.070 3.165 ( 1.928 -1.530 2.316) 3.380 3.210 ( -0.146 2.190 1.471) 2.642 3.236 ( 0.405 1.391 0.613) 1.573 3.311 ( -1.130 1.426 2.985) 3.496 3.370 ( -0.345 3.711 1.080) 3.880 3.462 ( 2.129 0.774 1.176) 2.552 3.560 ( 0.557 3.760 -0.736) 3.872 3.612 ( -0.371 1.700 0.766) 1.901 3.690 ( -0.494 4.272 -0.809) 4.376 3.756 ( 0.353 1.195 -0.282) 1.278 3.807 ( 0.102 -2.808 0.068) 2.810 3.847 ( -0.157 -0.120 0.190) 0.275 4.000 ( -0.635 -6.404 -0.046) 6.436 4.012 ( -0.060 -3.924 0.565) 3.965 4.280 ( -1.221 4.614 2.009) 5.179 4.369 ( 2.277 1.632 -0.736) 2.896 4.434 ( 0.405 1.249 -0.931) 1.610 4.461 ( -1.004 -0.518 -0.474) 1.226 4.932 ( -0.757 -0.067 -1.855) 2.004 5.067 ( 0.166 -3.095 1.282) 3.354 11.059 ( -1.483 16.707 1.082) 16.808 11.539 ( 2.557 17.668 -1.028) 17.881 14.305 ( 0.064 -10.128 0.422) 10.137 14.548 ( -0.693 -16.248 -0.508) 16.270 16.075 ( -0.364 -0.874 0.336) 1.004 16.272 ( 0.332 -5.227 -0.073) 5.238 ======================= Grid point 173 (65/199) ======================= q-point: (-0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -1.251 3.306 2.134) 4.129 1.060 ( 0.371 15.010 -1.741) 15.116 1.080 ( -1.017 13.298 0.741) 13.357 1.187 ( -0.472 1.850 -0.885) 2.104 1.267 ( 4.381 3.692 -0.171) 5.732 1.318 ( -2.977 3.419 -1.926) 4.926 1.350 ( -1.984 4.360 -3.145) 5.730 1.445 ( -1.449 2.479 -1.216) 3.119 1.507 ( 0.970 3.377 -2.013) 4.049 1.588 ( 2.035 3.368 0.766) 4.009 1.620 ( 3.520 4.986 3.244) 6.912 1.710 ( 0.488 5.086 1.963) 5.474 1.826 ( -0.166 5.056 3.022) 5.893 1.874 ( -3.058 12.552 1.884) 13.055 1.932 ( -0.149 3.451 0.747) 3.534 2.315 ( -1.302 3.735 -1.346) 4.178 2.364 ( 1.440 6.079 0.467) 6.264 2.427 ( -0.538 0.504 -0.411) 0.844 2.478 ( 1.267 2.277 -0.141) 2.610 2.538 ( -0.198 1.013 -2.244) 2.470 2.611 ( -0.249 3.311 0.320) 3.336 2.701 ( 1.960 5.439 -0.045) 5.781 2.773 ( -2.713 2.463 -2.937) 4.696 2.854 ( -0.312 -0.489 -2.586) 2.650 3.021 ( 0.252 1.149 -1.026) 1.561 3.123 ( -0.325 5.076 -0.354) 5.099 3.162 ( 2.165 6.396 -0.472) 6.769 3.204 ( -0.067 -0.195 2.229) 2.239 3.266 ( -1.415 2.570 1.382) 3.243 3.322 ( 0.585 2.267 3.623) 4.313 3.443 ( 0.351 1.757 -1.145) 2.126 3.501 ( 1.052 0.976 -0.501) 1.520 3.596 ( 0.322 0.511 0.619) 0.865 3.636 ( -0.834 1.143 -0.254) 1.437 3.707 ( -0.448 3.714 -0.140) 3.743 3.811 ( 0.360 3.407 0.117) 3.428 3.846 ( 0.337 0.597 1.371) 1.533 4.053 ( -0.594 3.118 -1.094) 3.358 4.121 ( -0.451 -2.691 0.944) 2.888 4.234 ( -1.457 -6.535 0.576) 6.720 4.371 ( 3.627 -1.558 -2.086) 4.465 4.411 ( 0.545 0.685 -1.789) 1.991 4.482 ( -2.024 -2.494 1.276) 3.456 4.959 ( -0.168 -2.951 -1.047) 3.136 5.134 ( -0.234 -3.635 1.501) 3.940 10.699 ( -0.641 19.584 2.000) 19.696 11.122 ( 1.238 23.986 -2.835) 24.185 14.523 ( 0.950 -11.261 1.392) 11.386 14.897 ( -1.089 -18.718 -1.259) 18.791 16.130 ( -0.869 -4.978 1.067) 5.165 16.407 ( 0.584 -8.287 0.144) 8.309 ======================= Grid point 174 (66/199) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -0.238 14.582 6.079) 15.800 0.706 ( -2.204 18.111 2.293) 18.389 0.977 ( 0.461 0.626 -1.957) 2.105 1.093 ( -0.845 7.767 -3.394) 8.518 1.189 ( -2.486 2.333 -2.810) 4.418 1.215 ( 2.072 10.628 -0.766) 10.855 1.289 ( 0.558 3.989 1.460) 4.285 1.376 ( -0.079 6.114 -2.790) 6.721 1.395 ( -0.524 4.890 1.427) 5.120 1.464 ( -0.614 6.786 1.723) 7.028 1.550 ( 2.541 4.111 -2.205) 5.313 1.572 ( -0.354 5.512 -3.703) 6.650 1.702 ( 1.861 4.349 5.070) 6.934 1.753 ( -0.093 0.492 4.938) 4.963 1.903 ( -0.410 -0.511 2.498) 2.583 2.169 ( -0.138 9.734 -0.398) 9.743 2.221 ( 0.836 9.325 0.161) 9.364 2.369 ( -2.522 4.991 -2.374) 6.075 2.398 ( 2.043 5.649 -0.168) 6.009 2.550 ( -1.014 0.055 -2.610) 2.801 2.563 ( -0.325 -0.825 0.123) 0.895 2.616 ( -0.853 3.363 -1.109) 3.643 2.732 ( -2.411 1.459 -4.094) 4.970 2.848 ( 2.515 0.404 1.319) 2.868 2.976 ( 0.777 6.614 -2.539) 7.127 3.003 ( 2.037 8.829 1.194) 9.139 3.039 ( 0.692 -0.131 -0.557) 0.898 3.189 ( -0.495 4.561 2.941) 5.449 3.213 ( 0.015 -0.379 2.783) 2.808 3.294 ( -2.751 1.555 -0.209) 3.167 3.427 ( -1.689 0.642 -4.399) 4.756 3.470 ( 4.909 2.765 -0.431) 5.651 3.563 ( 0.512 3.446 -0.610) 3.537 3.592 ( -0.120 6.844 0.188) 6.848 3.637 ( -1.330 0.398 4.089) 4.318 3.735 ( -0.012 2.655 2.396) 3.577 3.738 ( 0.758 9.621 2.109) 9.879 3.976 ( -3.269 1.389 -2.409) 4.292 4.139 ( 1.911 0.333 -7.002) 7.266 4.394 ( -0.647 -3.396 -0.981) 3.593 4.436 ( 0.078 -5.295 1.003) 5.390 4.472 ( 0.974 -7.851 -1.487) 8.050 4.559 ( -1.036 -5.781 2.652) 6.444 5.044 ( 0.244 -5.584 -0.861) 5.655 5.221 ( -0.114 -5.029 2.159) 5.474 10.252 ( -0.641 25.488 2.316) 25.601 10.606 ( 0.694 27.346 -7.139) 28.270 14.761 ( 3.806 -11.600 3.864) 12.805 15.272 ( -2.331 -19.057 -2.784) 19.400 16.273 ( -2.601 -9.738 3.764) 10.759 16.611 ( 0.844 -11.618 1.160) 11.707 ======================= Grid point 177 (67/199) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 3.304 -0.000 10.267) 10.786 0.327 ( 7.528 -0.000 8.604) 11.432 0.775 ( 14.827 -0.000 20.732) 25.488 0.896 ( -4.751 0.000 1.604) 5.014 1.003 ( -1.809 0.000 -2.744) 3.286 1.086 ( -0.255 0.000 -1.828) 1.846 1.110 ( 0.662 -0.000 -2.403) 2.492 1.228 ( 0.298 -0.000 -1.679) 1.706 1.228 ( -0.506 0.000 -1.559) 1.639 1.402 ( -2.184 0.000 -4.199) 4.733 1.478 ( -4.747 0.000 -2.181) 5.224 1.552 ( 2.507 -0.000 -1.206) 2.782 1.752 ( 1.536 -0.000 0.328) 1.570 1.777 ( 2.928 -0.000 -0.744) 3.021 1.827 ( -0.959 0.000 -0.354) 1.023 1.881 ( 1.316 -0.000 2.304) 2.653 1.957 ( -7.901 0.000 -2.988) 8.447 2.051 ( -0.124 0.000 -0.029) 0.127 2.334 ( -0.106 0.000 -0.651) 0.660 2.389 ( 3.585 -0.000 -1.150) 3.765 2.510 ( 0.623 -0.000 0.687) 0.927 2.592 ( 1.041 -0.000 -3.959) 4.094 2.632 ( -4.995 0.000 -1.798) 5.309 2.754 ( -0.677 0.000 0.139) 0.691 2.776 ( 0.531 -0.000 0.059) 0.534 2.793 ( 0.652 -0.000 0.342) 0.737 2.998 ( -1.385 0.000 -1.541) 2.072 3.119 ( -0.002 0.000 -0.284) 0.284 3.206 ( 0.570 -0.000 4.493) 4.529 3.229 ( 0.086 -0.000 0.046) 0.097 3.261 ( 0.844 -0.000 2.558) 2.694 3.264 ( -0.197 0.000 0.539) 0.574 3.342 ( 0.152 -0.000 -0.261) 0.302 3.350 ( -0.035 0.000 -0.342) 0.344 3.580 ( -0.819 0.000 -1.129) 1.394 3.607 ( 5.353 -0.000 -0.779) 5.410 3.747 ( -5.049 0.000 5.153) 7.215 3.774 ( 0.755 -0.000 8.489) 8.522 4.190 ( -4.119 0.000 -10.808) 11.567 4.469 ( 2.823 -0.000 -1.981) 3.449 4.558 ( -1.780 0.000 2.709) 3.242 4.666 ( -0.831 0.000 0.899) 1.224 4.846 ( 0.601 -0.000 -0.915) 1.095 5.281 ( 1.363 -0.000 3.236) 3.511 5.410 ( -2.470 0.000 -1.693) 2.995 9.262 ( 1.726 -0.000 -0.123) 1.731 9.448 ( -1.704 0.000 0.117) 1.708 15.430 ( 3.916 -0.000 -12.974) 13.552 15.807 ( 12.748 -0.000 -7.419) 14.750 16.644 ( -25.218 0.000 15.840) 29.781 17.016 ( 2.310 -0.000 8.687) 8.989 ======================= Grid point 178 (68/199) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 3.751 -10.344 6.531) 12.796 0.565 ( 8.676 -9.767 9.502) 16.154 0.845 ( -0.440 -8.270 1.845) 8.484 0.977 ( -1.435 -1.495 -1.773) 2.727 1.037 ( -0.869 -3.280 -0.574) 3.442 1.098 ( 2.937 -3.426 0.224) 4.519 1.163 ( -2.760 -8.124 0.637) 8.604 1.291 ( -0.254 -5.547 -0.785) 5.608 1.298 ( 2.796 -5.280 2.104) 6.334 1.379 ( -2.305 0.628 -2.973) 3.814 1.442 ( -3.745 -0.195 -2.240) 4.368 1.544 ( 1.076 -0.634 -1.019) 1.612 1.691 ( 2.299 1.504 -1.351) 3.061 1.809 ( 0.926 0.911 4.046) 4.250 1.896 ( -4.713 1.341 0.220) 4.905 1.970 ( 1.013 -10.202 0.433) 10.261 2.005 ( 0.282 -11.473 -1.556) 11.581 2.177 ( -1.593 -9.287 -1.411) 9.528 2.345 ( 1.870 -1.889 0.047) 2.659 2.484 ( -1.858 0.446 -2.792) 3.383 2.514 ( 0.203 -3.441 -0.875) 3.556 2.601 ( 1.039 -0.490 -1.114) 1.600 2.719 ( -0.499 1.285 -1.117) 1.774 2.786 ( -1.910 -8.628 -1.995) 9.060 2.846 ( -0.016 -7.018 -1.057) 7.097 2.918 ( 2.150 -3.315 1.267) 4.149 3.040 ( -2.373 -5.765 -3.872) 7.339 3.089 ( 0.021 -0.882 0.994) 1.329 3.179 ( -1.215 0.718 2.362) 2.751 3.246 ( 0.341 0.839 2.674) 2.824 3.335 ( -0.782 -4.218 -3.629) 5.618 3.431 ( 0.219 -7.355 -0.180) 7.360 3.437 ( -0.797 -9.686 1.383) 9.816 3.500 ( 0.718 -10.473 -4.172) 11.296 3.603 ( 3.112 0.737 -1.522) 3.541 3.662 ( 2.151 -5.782 -0.039) 6.170 3.727 ( -4.971 -0.659 4.737) 6.898 3.776 ( -1.555 -1.173 4.778) 5.160 4.117 ( -3.534 2.851 -8.934) 10.022 4.452 ( 2.636 2.239 -1.257) 3.680 4.521 ( -1.534 3.132 1.891) 3.967 4.607 ( -0.471 5.184 0.660) 5.247 4.733 ( 0.846 8.914 1.131) 9.025 5.186 ( 0.381 7.657 0.626) 7.692 5.331 ( -0.731 4.981 1.297) 5.198 9.710 ( -0.536 -26.189 -0.912) 26.210 9.879 ( -5.889 -37.320 -8.235) 38.669 15.195 ( 3.959 17.969 -1.466) 18.459 15.593 ( 4.399 17.646 -1.562) 18.253 16.431 ( -5.434 9.299 7.590) 13.177 16.885 ( 0.289 12.555 6.720) 14.243 ======================= Grid point 179 (69/199) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 2.369 -14.860 3.439) 15.436 0.794 ( 5.879 -10.762 6.297) 13.785 0.937 ( -4.973 -4.569 -3.479) 7.596 1.046 ( 0.963 -4.405 -1.713) 4.824 1.092 ( -4.738 -5.158 -3.101) 7.660 1.234 ( -0.699 -3.266 -0.553) 3.385 1.294 ( -0.242 -4.928 -2.044) 5.341 1.383 ( 2.154 -0.623 -2.566) 3.408 1.404 ( 0.646 -6.637 1.261) 6.786 1.477 ( -0.700 -10.573 1.094) 10.653 1.536 ( 0.239 -11.829 2.300) 12.053 1.601 ( 1.813 -3.036 -2.759) 4.485 1.729 ( -0.513 -5.351 2.860) 6.089 1.786 ( -0.217 1.366 3.649) 3.903 1.886 ( -2.383 -1.301 1.765) 3.238 2.186 ( 1.565 -9.752 0.187) 9.879 2.246 ( 0.775 -11.352 -0.170) 11.380 2.299 ( -1.837 -3.189 -1.754) 4.077 2.446 ( 2.604 -7.027 -0.217) 7.497 2.505 ( -1.552 -2.012 -1.644) 3.026 2.544 ( -1.992 -3.286 -1.336) 4.068 2.594 ( 1.113 1.723 0.128) 2.056 2.710 ( 0.500 -0.215 -1.506) 1.602 2.888 ( 0.132 0.446 -1.372) 1.449 2.959 ( -0.384 -8.551 -1.118) 8.633 3.017 ( 0.197 0.281 -2.491) 2.514 3.085 ( 2.510 -7.316 1.536) 7.886 3.182 ( -1.075 -2.781 1.554) 3.362 3.228 ( -0.687 -0.028 1.788) 1.916 3.249 ( -0.976 -6.807 1.933) 7.143 3.372 ( -1.099 -0.709 -5.107) 5.272 3.549 ( 1.185 0.549 1.371) 1.894 3.565 ( 0.173 -4.690 -0.749) 4.752 3.621 ( -1.739 0.549 4.064) 4.454 3.630 ( 3.653 -4.402 -1.420) 5.894 3.722 ( -1.440 -4.464 2.519) 5.324 3.795 ( 2.605 -7.848 2.217) 8.561 3.861 ( -5.130 -4.840 -2.498) 7.482 4.106 ( -1.162 -2.595 -5.509) 6.199 4.391 ( 0.312 6.563 -0.215) 6.574 4.431 ( -0.066 3.574 0.229) 3.582 4.501 ( 1.430 4.197 -0.708) 4.490 4.546 ( -1.089 9.143 1.666) 9.357 5.046 ( 0.246 5.898 -0.787) 5.956 5.227 ( -0.331 5.057 1.846) 5.393 10.257 ( 0.178 -26.314 2.053) 26.395 10.527 ( -3.679 -29.720 -5.271) 30.408 14.868 ( 2.498 15.560 0.769) 15.778 15.232 ( 0.688 18.693 -0.892) 18.727 16.259 ( 0.213 7.620 1.724) 7.815 16.614 ( -1.489 13.059 2.719) 13.422 ======================= Grid point 180 (70/199) ======================= q-point: ( 0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.234 -1.380 1.418) 2.332 1.013 ( -0.716 -12.836 0.563) 12.868 1.092 ( 0.028 -10.688 -0.233) 10.691 1.172 ( -4.283 -4.097 1.515) 6.118 1.197 ( 1.272 -10.061 0.566) 10.157 1.301 ( -0.086 -5.785 -4.024) 7.047 1.389 ( -0.031 -1.342 -0.919) 1.627 1.406 ( 3.309 -6.436 -2.704) 7.725 1.537 ( 1.130 -4.626 0.806) 4.830 1.610 ( -0.583 -3.642 -2.517) 4.466 1.678 ( -1.695 -5.043 -0.278) 5.327 1.737 ( -1.069 1.409 2.182) 2.809 1.793 ( -0.347 -9.666 0.526) 9.686 1.891 ( 0.776 -6.829 3.817) 7.862 1.927 ( 0.125 -2.948 2.730) 4.020 2.301 ( 0.187 -3.169 0.535) 3.219 2.386 ( 0.653 -4.770 -2.378) 5.370 2.441 ( 1.058 -6.522 0.296) 6.614 2.489 ( -0.550 -0.840 -0.143) 1.014 2.534 ( 0.746 1.954 -0.391) 2.127 2.629 ( -1.562 -2.646 -3.127) 4.384 2.648 ( 0.786 -7.760 0.589) 7.822 2.749 ( 1.507 -5.489 -1.194) 5.816 2.871 ( 0.204 1.260 1.278) 1.806 2.993 ( -0.782 0.520 -5.033) 5.120 3.107 ( -0.284 -6.088 1.082) 6.190 3.198 ( -0.437 -0.657 0.757) 1.093 3.224 ( 1.357 -2.478 -0.389) 2.852 3.253 ( 0.373 -3.382 1.592) 3.757 3.359 ( 0.310 -0.770 1.079) 1.361 3.410 ( -2.221 -7.074 -0.847) 7.462 3.529 ( -0.342 0.122 1.828) 1.864 3.595 ( -1.002 0.293 0.754) 1.288 3.615 ( 0.844 -0.892 -0.900) 1.523 3.724 ( 1.212 -3.510 -0.641) 3.768 3.805 ( -0.684 -3.486 0.507) 3.588 3.855 ( -0.639 0.481 0.736) 1.087 4.030 ( 0.118 -7.209 -0.633) 7.238 4.105 ( -0.673 3.142 1.066) 3.385 4.221 ( 0.772 6.285 -1.137) 6.433 4.402 ( -3.781 3.421 2.112) 5.519 4.413 ( 0.530 -0.467 -1.115) 1.319 4.455 ( 2.445 1.354 -1.849) 3.351 4.953 ( 0.332 3.533 -0.652) 3.608 5.140 ( -0.166 3.617 1.303) 3.848 10.733 ( 1.741 -21.163 2.014) 21.330 11.037 ( -4.181 -23.137 -2.479) 23.642 14.587 ( 1.349 13.386 -0.006) 13.453 14.869 ( 0.353 17.498 -0.168) 17.503 16.137 ( 0.884 4.706 0.415) 4.806 16.394 ( -1.391 8.343 0.726) 8.489 ======================= Grid point 181 (71/199) ======================= q-point: ( 0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.050 2.069 0.285) 2.089 1.190 ( -0.776 -2.549 -0.176) 2.670 1.249 ( -1.354 -5.899 0.818) 6.107 1.266 ( -0.865 -6.735 0.158) 6.792 1.370 ( 0.711 -5.484 -1.279) 5.676 1.459 ( 1.757 -7.349 0.406) 7.567 1.470 ( 0.032 -7.930 -0.545) 7.949 1.571 ( 0.049 -6.106 -1.938) 6.406 1.597 ( 4.537 -3.919 1.863) 6.278 1.642 ( -3.598 0.223 -3.576) 5.078 1.715 ( -0.631 -4.303 2.918) 5.237 1.780 ( -2.813 -1.775 -0.552) 3.372 1.900 ( 1.362 -2.737 -0.603) 3.116 1.957 ( 0.771 0.326 0.995) 1.300 2.033 ( 0.510 -6.336 3.245) 7.137 2.327 ( 1.679 2.611 0.945) 3.245 2.382 ( -0.245 3.893 -1.192) 4.079 2.539 ( 0.524 -3.260 -1.375) 3.576 2.546 ( 0.953 -5.186 -0.974) 5.362 2.555 ( -0.251 -3.364 -1.509) 3.696 2.651 ( -1.267 -0.629 -2.689) 3.038 2.743 ( 0.719 -2.946 0.286) 3.046 2.817 ( 1.421 2.693 2.264) 3.794 2.946 ( 2.114 -5.861 -1.661) 6.448 3.002 ( -1.855 -5.506 -4.178) 7.156 3.175 ( -0.430 1.707 0.131) 1.766 3.193 ( -1.239 -2.264 2.387) 3.516 3.297 ( 0.929 -4.285 -0.770) 4.451 3.323 ( 0.272 -2.939 2.626) 3.950 3.357 ( -0.773 -0.260 1.517) 1.722 3.494 ( -2.356 -1.731 0.184) 2.929 3.589 ( -0.132 -3.414 0.649) 3.478 3.605 ( -0.374 -1.319 0.703) 1.540 3.655 ( 0.875 -4.678 -1.053) 4.874 3.775 ( 0.360 -1.625 -1.003) 1.943 3.812 ( -0.167 3.467 -0.041) 3.471 3.842 ( -0.044 0.029 0.272) 0.277 3.986 ( 0.172 4.597 0.677) 4.650 4.014 ( -0.081 5.198 0.270) 5.206 4.280 ( 0.630 -5.605 0.720) 5.686 4.369 ( -2.978 -0.907 1.805) 3.598 4.429 ( 0.855 -0.347 -1.159) 1.482 4.456 ( 0.944 -0.582 -1.530) 1.890 4.904 ( 0.647 1.417 -0.440) 1.619 5.082 ( -0.183 2.338 0.543) 2.408 11.139 ( 4.557 -18.548 1.202) 19.138 11.412 ( -6.609 -16.253 -1.006) 17.575 14.340 ( 0.515 11.576 -0.299) 11.591 14.543 ( 0.768 15.106 0.092) 15.126 16.080 ( 0.379 1.283 0.157) 1.347 16.265 ( -0.507 4.655 0.101) 4.684 ======================= Grid point 182 (72/199) ======================= q-point: ( 0.58 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -0.124 1.405 0.030) 1.411 1.211 ( 0.078 -0.545 -0.447) 0.710 1.291 ( 0.014 -0.454 0.838) 0.954 1.387 ( -1.372 -4.415 -3.001) 5.512 1.433 ( -0.049 -0.185 -1.007) 1.025 1.539 ( -0.830 0.419 0.846) 1.257 1.548 ( -0.175 -1.500 2.151) 2.628 1.648 ( 3.482 -3.911 1.149) 5.361 1.700 ( -0.495 -7.572 -0.353) 7.597 1.754 ( -3.091 -2.771 0.831) 4.234 1.801 ( -0.649 -7.355 -0.850) 7.432 1.810 ( 1.411 -2.549 0.968) 3.070 1.926 ( 0.145 2.180 0.078) 2.187 1.958 ( 1.541 -1.751 -0.614) 2.412 2.109 ( 0.081 -0.531 0.454) 0.703 2.231 ( 0.120 5.571 1.181) 5.696 2.302 ( 0.184 4.149 -0.232) 4.160 2.576 ( 1.101 -1.749 -3.814) 4.338 2.609 ( 0.392 0.459 -3.192) 3.249 2.628 ( -1.759 -4.088 -1.710) 4.767 2.710 ( 0.722 -5.410 -0.056) 5.458 2.742 ( 2.077 2.964 0.625) 3.673 2.782 ( 1.739 1.061 -0.024) 2.038 3.008 ( 0.418 -3.970 -3.376) 5.228 3.115 ( -0.416 3.564 -2.285) 4.254 3.170 ( 0.464 -6.244 1.480) 6.434 3.222 ( -1.666 -1.396 2.567) 3.364 3.343 ( -1.612 -1.234 3.333) 3.902 3.385 ( -1.527 -1.061 1.358) 2.302 3.403 ( 0.744 -4.568 1.322) 4.813 3.516 ( -1.559 -1.380 -0.932) 2.281 3.621 ( -0.075 0.044 1.017) 1.021 3.630 ( -0.308 -1.265 0.118) 1.307 3.727 ( 0.799 3.684 -0.040) 3.770 3.763 ( 0.231 -3.829 -0.554) 3.876 3.803 ( 0.215 -1.015 -0.391) 1.109 3.817 ( 0.106 1.738 0.140) 1.747 3.929 ( 0.071 1.524 0.237) 1.544 3.945 ( -0.102 1.737 0.458) 1.799 4.337 ( -0.471 -0.809 1.061) 1.415 4.409 ( -0.582 -2.341 0.300) 2.431 4.437 ( 0.571 -0.424 -0.617) 0.941 4.462 ( 0.094 0.184 -0.448) 0.493 4.903 ( 1.092 -0.884 0.028) 1.405 5.041 ( -0.466 1.813 -0.419) 1.918 11.483 ( 7.058 -11.604 0.437) 13.589 11.641 ( -8.258 -10.353 -0.126) 13.243 14.144 ( -0.027 7.497 -0.278) 7.502 14.287 ( 0.805 10.168 0.059) 10.199 16.083 ( -0.097 -1.260 0.078) 1.266 16.190 ( 0.097 3.139 -0.021) 3.140 ======================= Grid point 183 (73/199) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.030 -0.140 -0.050) 0.152 1.217 ( 0.237 -0.057 -0.946) 0.976 1.290 ( -0.271 0.351 1.136) 1.220 1.402 ( 0.492 1.296 -0.787) 1.594 1.446 ( -0.429 -1.665 -2.095) 2.710 1.502 ( 0.662 2.570 -0.331) 2.674 1.567 ( -0.554 -0.010 2.813) 2.867 1.731 ( 1.078 -2.994 1.811) 3.662 1.770 ( -2.697 0.765 1.537) 3.197 1.819 ( -0.161 0.443 -0.074) 0.477 1.840 ( 0.514 -0.921 -0.271) 1.089 1.866 ( 0.365 0.145 0.854) 0.940 1.904 ( 0.253 0.022 -1.450) 1.472 1.987 ( 0.188 -1.292 -0.592) 1.434 2.080 ( 0.167 1.941 -0.502) 2.012 2.181 ( -0.049 -1.458 0.974) 1.754 2.218 ( -0.595 3.253 1.090) 3.482 2.595 ( 0.991 -0.023 -2.172) 2.387 2.621 ( 0.637 -1.559 -3.025) 3.462 2.672 ( 0.613 3.058 -3.262) 4.513 2.686 ( 1.128 -0.213 -0.647) 1.318 2.749 ( -2.846 -3.097 -4.315) 6.026 2.855 ( 3.521 -3.333 -0.694) 4.898 3.043 ( 0.453 2.762 -2.244) 3.587 3.077 ( 0.455 -1.958 -2.124) 2.925 3.206 ( -1.460 -0.220 2.185) 2.637 3.248 ( -0.163 0.738 6.211) 6.257 3.338 ( -1.649 2.436 0.409) 2.970 3.383 ( -0.641 1.907 4.567) 4.991 3.469 ( -0.306 -1.320 0.141) 1.362 3.529 ( 0.426 0.244 0.545) 0.733 3.599 ( -0.133 -0.903 0.278) 0.954 3.653 ( -0.237 -0.545 0.755) 0.961 3.689 ( 0.122 1.140 -0.304) 1.187 3.783 ( -0.136 0.095 -0.867) 0.883 3.801 ( 0.282 0.050 0.179) 0.338 3.832 ( 0.143 -0.707 -0.494) 0.875 3.916 ( -0.149 -0.098 0.431) 0.466 3.925 ( 0.002 0.451 0.135) 0.471 4.343 ( -0.224 -0.075 1.133) 1.158 4.430 ( 0.161 0.238 -0.494) 0.572 4.447 ( -0.137 -0.328 -0.018) 0.356 4.456 ( 0.104 0.043 -0.193) 0.223 4.935 ( 0.141 -1.626 -0.466) 1.697 5.006 ( 0.088 1.221 -0.456) 1.306 11.551 ( -0.113 4.824 0.154) 4.827 11.813 ( 0.047 -5.985 0.145) 5.987 14.064 ( -0.052 0.177 -0.106) 0.213 14.174 ( 0.093 0.624 -0.097) 0.638 16.122 ( 0.001 -2.390 -0.000) 2.390 16.133 ( -0.006 2.408 0.020) 2.409 ======================= Grid point 184 (74/199) ======================= q-point: (-0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.051 -1.440 -0.040) 1.441 1.215 ( 0.141 0.295 -0.769) 0.835 1.282 ( -0.201 0.485 1.228) 1.335 1.389 ( 2.963 1.162 -0.520) 3.225 1.448 ( -0.333 1.015 1.872) 2.155 1.464 ( 0.541 1.593 -3.155) 3.576 1.554 ( -1.186 1.401 2.445) 3.057 1.655 ( -1.400 7.640 2.284) 8.096 1.686 ( 0.328 9.857 1.017) 9.915 1.765 ( -0.305 1.229 0.839) 1.519 1.793 ( 0.512 6.903 -1.434) 7.069 1.884 ( -1.032 -1.544 -2.488) 3.105 1.918 ( 1.198 -1.335 -0.573) 1.883 1.986 ( -2.574 2.636 -1.502) 3.979 2.055 ( 1.203 0.125 2.626) 2.891 2.214 ( -0.481 -2.797 1.926) 3.430 2.274 ( 0.140 -6.315 -0.042) 6.317 2.578 ( 0.874 2.735 -4.588) 5.413 2.609 ( 1.128 1.507 -1.876) 2.657 2.638 ( 1.470 -0.189 0.210) 1.497 2.717 ( -0.042 -1.056 -2.004) 2.265 2.788 ( -3.081 0.366 -5.378) 6.209 2.841 ( -2.022 2.686 -4.603) 5.700 2.997 ( 1.287 2.805 -2.324) 3.864 3.118 ( 2.018 -2.945 0.862) 3.672 3.155 ( -0.347 7.787 3.411) 8.508 3.230 ( -1.097 -1.089 1.987) 2.517 3.272 ( 1.976 3.181 4.562) 5.902 3.339 ( -0.516 1.603 5.108) 5.378 3.444 ( -0.856 3.040 -0.515) 3.200 3.503 ( 1.380 2.187 1.461) 2.970 3.618 ( 0.491 1.896 -0.429) 2.005 3.646 ( -0.243 1.148 1.293) 1.746 3.709 ( -0.614 -4.107 -0.792) 4.227 3.776 ( -0.618 2.150 -0.984) 2.444 3.792 ( 0.665 1.114 0.377) 1.351 3.828 ( -0.352 -0.766 -0.538) 1.000 3.923 ( 0.044 -1.270 0.049) 1.272 3.947 ( -0.247 -2.458 0.635) 2.551 4.336 ( -0.150 1.230 1.422) 1.886 4.409 ( 0.713 1.599 -0.278) 1.772 4.446 ( -0.838 0.192 0.037) 0.860 4.458 ( 0.412 0.094 -0.776) 0.884 4.937 ( -1.683 0.745 -3.020) 3.537 5.019 ( 1.264 -1.926 1.667) 2.844 11.359 ( -0.825 13.158 0.540) 13.195 11.804 ( 1.142 7.405 -0.319) 7.500 14.133 ( 0.202 -6.631 0.164) 6.636 14.273 ( -0.401 -10.183 -0.306) 10.195 16.086 ( -0.023 1.747 0.124) 1.751 16.186 ( 0.002 -3.664 -0.074) 3.665 ======================= Grid point 185 (75/199) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.153 -1.482 0.370) 1.535 1.205 ( 0.186 0.764 -0.032) 0.787 1.261 ( -0.875 2.625 0.340) 2.788 1.325 ( -0.207 8.051 -4.653) 9.301 1.380 ( 4.103 7.472 1.198) 8.608 1.415 ( -1.527 3.318 0.494) 3.686 1.436 ( -0.896 9.626 1.035) 9.723 1.506 ( -0.084 3.148 1.123) 3.343 1.580 ( 0.254 3.049 -0.232) 3.069 1.641 ( 1.447 4.755 1.942) 5.336 1.716 ( 0.049 3.925 1.289) 4.131 1.844 ( 0.476 6.734 -0.074) 6.751 1.895 ( -0.475 1.055 -1.091) 1.590 1.958 ( -0.812 0.774 -1.306) 1.722 2.034 ( -2.094 3.359 1.609) 4.273 2.287 ( -0.060 -3.778 1.311) 4.000 2.389 ( 0.407 -4.321 -2.020) 4.787 2.524 ( 0.682 2.683 -1.793) 3.298 2.565 ( -1.111 10.597 -1.731) 10.795 2.574 ( -0.082 2.680 -2.052) 3.376 2.655 ( 1.429 0.847 0.889) 1.884 2.781 ( 0.018 2.780 -0.968) 2.943 2.807 ( -1.053 -2.751 -4.522) 5.397 2.903 ( -0.507 8.622 -0.561) 8.655 3.041 ( 0.186 1.347 -1.404) 1.955 3.178 ( 0.485 -0.914 2.329) 2.548 3.210 ( -0.407 1.952 1.176) 2.315 3.246 ( 1.906 2.020 1.251) 3.046 3.309 ( -0.845 1.698 2.921) 3.482 3.369 ( -0.687 3.116 1.532) 3.539 3.479 ( 1.835 0.811 1.992) 2.828 3.565 ( 1.047 3.986 -0.606) 4.165 3.611 ( -0.384 1.690 0.647) 1.850 3.682 ( -1.146 3.958 -1.302) 4.321 3.760 ( 0.772 1.667 -0.076) 1.839 3.808 ( 0.186 -3.305 0.103) 3.312 3.846 ( -0.231 -0.117 0.151) 0.300 3.995 ( -0.684 -6.174 -0.154) 6.214 4.013 ( -0.072 -3.982 0.530) 4.018 4.276 ( -0.880 4.938 1.852) 5.347 4.383 ( 1.940 1.113 -0.580) 2.310 4.435 ( -0.022 0.833 -0.373) 0.913 4.452 ( -0.883 0.084 -1.029) 1.358 4.923 ( -0.908 -0.495 -2.103) 2.344 5.071 ( 0.301 -2.776 1.317) 3.087 11.056 ( -0.002 16.580 1.146) 16.619 11.545 ( -0.148 17.796 -1.133) 17.832 14.308 ( 0.679 -10.268 0.669) 10.312 14.543 ( -0.528 -16.127 -0.716) 16.151 16.073 ( -0.180 -0.779 0.331) 0.866 16.274 ( 0.103 -5.331 -0.071) 5.333 ======================= Grid point 186 (76/199) ======================= q-point: (-0.08 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.421 3.306 2.134) 3.957 1.053 ( -1.878 16.302 -0.721) 16.425 1.079 ( 0.920 11.556 -0.866) 11.625 1.180 ( -1.030 2.523 -0.800) 2.840 1.290 ( -4.935 5.655 2.086) 7.790 1.295 ( 3.866 3.651 -3.219) 6.216 1.339 ( 0.876 2.805 -3.810) 4.811 1.432 ( -1.797 3.297 -1.343) 3.988 1.511 ( 0.987 3.637 -1.302) 3.987 1.601 ( 1.579 3.729 0.471) 4.077 1.651 ( 3.523 4.841 3.097) 6.741 1.717 ( 0.615 3.715 2.560) 4.553 1.829 ( -0.395 6.340 0.977) 6.427 1.858 ( -2.332 10.380 3.526) 11.208 1.931 ( -0.440 2.955 0.594) 3.046 2.306 ( -0.817 4.003 -0.877) 4.178 2.374 ( 1.459 5.713 -0.402) 5.910 2.424 ( -0.111 1.325 0.098) 1.333 2.485 ( 0.860 1.910 -0.022) 2.094 2.533 ( -0.043 0.401 -1.935) 1.977 2.611 ( 0.170 4.640 0.352) 4.656 2.714 ( 1.714 6.147 0.025) 6.382 2.742 ( -3.725 2.382 -4.971) 6.653 2.853 ( 0.669 -1.411 -0.397) 1.611 3.019 ( 0.150 0.972 -2.267) 2.471 3.119 ( -0.667 5.360 -0.344) 5.412 3.178 ( 2.296 5.791 -0.071) 6.230 3.207 ( -0.113 -0.337 2.094) 2.124 3.258 ( -1.353 2.741 1.130) 3.259 3.333 ( 0.624 2.290 4.075) 4.715 3.440 ( -0.458 2.949 -1.328) 3.267 3.510 ( 1.534 0.546 -0.114) 1.632 3.599 ( 0.131 0.009 0.763) 0.774 3.628 ( -1.124 1.294 -0.558) 1.802 3.706 ( 0.250 4.021 -0.121) 4.031 3.812 ( 0.018 3.335 0.062) 3.336 3.851 ( 0.304 0.264 1.599) 1.649 4.046 ( -0.763 4.168 -1.301) 4.432 4.118 ( -0.726 -3.248 0.824) 3.428 4.226 ( -0.995 -6.395 0.283) 6.478 4.392 ( 3.083 -1.690 -1.687) 3.900 4.413 ( 1.011 0.881 -2.188) 2.566 4.468 ( -2.670 -2.645 1.596) 4.083 4.956 ( -0.124 -3.172 -1.077) 3.352 5.135 ( -0.133 -3.636 1.500) 3.935 10.700 ( 0.097 19.648 2.058) 19.756 11.118 ( -0.922 24.040 -2.939) 24.236 14.536 ( 1.924 -11.821 1.762) 12.106 14.887 ( -1.106 -18.332 -1.572) 18.433 16.127 ( -0.420 -4.777 0.998) 4.898 16.409 ( -0.000 -8.444 0.202) 8.447 ======================= Grid point 190 (77/199) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 7.571 -0.000 5.667) 9.457 0.398 ( 8.645 -0.000 6.800) 10.999 0.860 ( -6.315 0.000 2.045) 6.638 0.902 ( 11.983 -0.000 14.520) 18.826 0.981 ( -3.461 0.000 -2.727) 4.406 1.069 ( -2.210 0.000 -3.626) 4.246 1.111 ( 0.711 -0.000 -2.495) 2.594 1.228 ( 0.421 -0.000 -1.883) 1.930 1.236 ( 2.481 -0.000 3.472) 4.267 1.381 ( -2.214 0.000 -4.541) 5.052 1.438 ( -5.178 0.000 -1.631) 5.429 1.571 ( 3.274 -0.000 -0.901) 3.396 1.764 ( 1.585 -0.000 0.540) 1.674 1.792 ( 1.562 -0.000 -3.554) 3.882 1.820 ( -1.040 0.000 -0.513) 1.160 1.896 ( 1.645 -0.000 2.403) 2.912 1.902 ( -6.458 0.000 0.001) 6.458 2.049 ( -0.241 0.000 -0.091) 0.258 2.334 ( 0.381 -0.000 -0.216) 0.438 2.410 ( 3.045 -0.000 -1.413) 3.357 2.514 ( 0.256 -0.000 0.270) 0.372 2.583 ( -2.514 0.000 -5.245) 5.816 2.604 ( -1.168 0.000 0.326) 1.213 2.750 ( -0.564 0.000 0.190) 0.595 2.779 ( 0.486 -0.000 0.082) 0.492 2.798 ( 0.554 -0.000 0.252) 0.608 2.987 ( -0.717 0.000 -2.042) 2.165 3.118 ( -0.165 0.000 0.123) 0.206 3.210 ( -0.963 0.000 3.455) 3.586 3.230 ( 0.106 -0.000 0.050) 0.117 3.264 ( -0.196 0.000 0.525) 0.560 3.273 ( 1.176 -0.000 2.732) 2.975 3.343 ( 0.059 -0.000 -0.179) 0.188 3.349 ( 0.038 -0.000 -0.415) 0.416 3.569 ( -1.396 0.000 -1.284) 1.897 3.641 ( 4.546 -0.000 -1.173) 4.695 3.725 ( -3.344 0.000 4.644) 5.723 3.805 ( 3.379 -0.000 8.136) 8.809 4.136 ( -6.053 0.000 -9.332) 11.123 4.488 ( 3.492 -0.000 -1.872) 3.962 4.549 ( -1.705 0.000 2.007) 2.633 4.662 ( -0.687 0.000 1.410) 1.568 4.846 ( -0.019 0.000 -0.833) 0.833 5.292 ( 0.287 -0.000 2.119) 2.138 5.389 ( -2.412 0.000 -0.708) 2.514 9.276 ( 2.373 -0.000 -0.120) 2.376 9.434 ( -2.346 0.000 0.116) 2.349 15.401 ( -4.077 0.000 -13.484) 14.087 15.883 ( 10.832 -0.000 -6.275) 12.518 16.537 ( -12.758 0.000 12.790) 18.065 17.045 ( 1.200 -0.000 11.110) 11.174 ======================= Grid point 191 (78/199) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 6.161 -9.213 4.370) 11.913 0.643 ( 9.306 -10.373 7.787) 15.964 0.819 ( -6.557 -3.230 -1.542) 7.470 0.964 ( -2.027 -3.709 -1.458) 4.471 1.032 ( 0.590 0.350 -3.112) 3.187 1.115 ( 0.803 -5.049 -0.719) 5.163 1.155 ( 0.341 -8.759 3.952) 9.615 1.284 ( -1.101 -5.111 -1.281) 5.383 1.322 ( 0.327 -4.787 3.969) 6.227 1.360 ( 0.382 -0.743 -2.929) 3.046 1.419 ( -2.099 -1.354 -0.682) 2.590 1.550 ( 0.805 0.116 -0.083) 0.818 1.701 ( 1.335 1.659 -2.196) 3.059 1.820 ( 0.410 1.068 2.945) 3.160 1.862 ( -4.743 -0.044 0.247) 4.750 1.981 ( 1.678 -9.918 0.496) 10.071 2.004 ( 0.036 -11.160 -1.030) 11.207 2.168 ( -0.544 -9.251 -0.370) 9.274 2.359 ( 2.067 -2.307 -0.325) 3.114 2.466 ( -1.451 1.365 -2.575) 3.256 2.516 ( 0.335 -2.724 -0.252) 2.756 2.610 ( 1.946 -1.119 -0.745) 2.366 2.708 ( -2.179 -1.035 -1.807) 3.014 2.772 ( -1.120 -7.909 -0.785) 8.027 2.842 ( -0.352 -6.581 -2.049) 6.902 2.934 ( 1.862 -4.817 0.598) 5.199 3.018 ( -1.921 -6.121 -3.243) 7.189 3.092 ( 0.088 -0.033 1.270) 1.274 3.171 ( -1.787 0.778 1.555) 2.493 3.253 ( 0.207 0.830 2.911) 3.034 3.326 ( 0.011 -3.613 -3.161) 4.800 3.432 ( -0.289 -9.327 0.374) 9.339 3.433 ( -0.357 -8.096 0.790) 8.142 3.495 ( -0.316 -11.752 -3.062) 12.148 3.611 ( -0.094 -2.282 -1.869) 2.951 3.678 ( 2.901 -4.281 -1.298) 5.332 3.702 ( -3.718 0.311 5.121) 6.336 3.790 ( 1.711 1.992 5.602) 6.187 4.076 ( -3.768 1.645 -7.323) 8.398 4.470 ( 2.838 2.605 -0.986) 3.976 4.514 ( -1.214 3.102 1.477) 3.644 4.605 ( -0.416 4.937 1.078) 5.071 4.738 ( 0.190 8.916 0.386) 8.926 5.187 ( -0.197 7.804 -0.049) 7.806 5.328 ( -0.716 4.536 1.400) 4.801 9.705 ( -0.332 -27.030 -0.982) 27.050 9.831 ( -4.480 -36.465 -4.851) 37.058 15.194 ( -1.658 15.289 -6.300) 16.619 15.632 ( 5.989 20.364 1.266) 21.264 16.416 ( -1.660 7.313 4.609) 8.802 16.896 ( -0.773 13.740 8.390) 16.118 ======================= Grid point 192 (79/199) ======================= q-point: ( 0.42 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 4.107 -13.660 2.894) 14.555 0.846 ( 5.703 -8.331 6.470) 11.991 0.892 ( -5.907 -7.317 -3.412) 10.003 1.047 ( -3.591 -3.724 2.306) 5.664 1.063 ( 1.345 -4.826 -5.154) 7.188 1.224 ( -1.940 -2.783 -0.241) 3.401 1.291 ( 0.838 -5.525 -3.472) 6.579 1.395 ( 2.044 -0.688 -2.108) 3.015 1.411 ( 1.082 -6.719 0.547) 6.828 1.464 ( -2.931 -9.763 -1.046) 10.247 1.550 ( 1.791 -12.379 3.465) 12.978 1.607 ( 0.823 -3.394 -1.042) 3.645 1.728 ( -0.937 -5.330 1.879) 5.729 1.787 ( -1.098 1.545 2.818) 3.397 1.871 ( -2.519 -1.924 1.260) 3.411 2.198 ( 1.688 -10.142 -0.159) 10.283 2.244 ( -1.205 -11.719 -0.534) 11.793 2.293 ( 0.662 -2.485 -0.329) 2.593 2.463 ( 2.152 -7.036 -0.664) 7.388 2.494 ( -0.669 -2.859 -1.445) 3.272 2.529 ( -1.729 -2.510 -0.657) 3.118 2.606 ( 2.082 2.096 1.302) 3.229 2.711 ( 0.349 -0.560 -1.273) 1.434 2.878 ( -1.519 -0.434 -3.834) 4.147 2.959 ( 0.556 -8.197 0.442) 8.227 3.015 ( 0.378 0.782 -2.567) 2.710 3.104 ( 2.312 -7.179 1.298) 7.653 3.175 ( -1.771 -3.887 0.711) 4.330 3.222 ( -1.267 -2.863 0.341) 3.150 3.249 ( -0.524 -3.926 2.962) 4.946 3.360 ( 0.103 -0.354 -4.244) 4.260 3.554 ( -0.337 0.182 1.399) 1.450 3.565 ( 0.166 -4.620 -0.073) 4.623 3.615 ( -1.504 0.287 3.461) 3.785 3.652 ( 3.153 -3.509 -2.077) 5.154 3.718 ( -0.738 -3.966 2.389) 4.689 3.808 ( -1.365 -10.382 -1.853) 10.634 3.832 ( -0.454 -3.041 2.070) 3.707 4.090 ( -0.856 -3.567 -4.795) 6.037 4.393 ( 0.271 7.474 0.126) 7.480 4.432 ( 0.271 2.782 0.258) 2.807 4.508 ( 0.488 4.484 0.002) 4.511 4.542 ( -0.450 9.276 0.654) 9.310 5.046 ( 0.217 5.833 -0.807) 5.892 5.227 ( -0.490 4.981 1.679) 5.279 10.263 ( 0.373 -26.636 1.884) 26.705 10.495 ( -2.926 -30.260 -4.284) 30.701 14.875 ( -0.102 15.113 -2.009) 15.246 15.242 ( 2.161 19.652 1.161) 19.805 16.266 ( 1.153 7.466 0.930) 7.612 16.606 ( -2.085 13.414 3.370) 13.987 ======================= Grid point 193 (80/199) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 1.395 -0.535 1.086) 1.847 1.013 ( 0.484 -11.136 1.167) 11.207 1.092 ( -0.118 -11.288 0.285) 11.292 1.138 ( -5.518 -6.802 2.782) 9.190 1.218 ( 3.902 -8.541 -1.143) 9.459 1.292 ( -0.651 -6.634 -2.227) 7.028 1.388 ( 0.500 -2.369 -1.440) 2.818 1.425 ( 3.212 -5.168 -2.603) 6.618 1.544 ( 0.503 -5.173 0.157) 5.200 1.598 ( -1.230 -3.771 -2.986) 4.965 1.661 ( -2.703 -3.174 -1.025) 4.293 1.730 ( -1.474 -0.156 0.891) 1.730 1.796 ( 0.261 -8.253 2.490) 8.625 1.899 ( 0.265 -5.504 1.180) 5.635 1.935 ( 0.299 -5.810 4.880) 7.593 2.304 ( 0.260 -2.872 0.821) 2.999 2.387 ( 0.798 -5.196 -2.327) 5.748 2.448 ( 0.770 -7.138 -0.024) 7.179 2.483 ( -1.138 -0.286 -0.570) 1.305 2.540 ( 1.055 2.124 0.160) 2.377 2.607 ( -2.036 -3.458 -4.085) 5.726 2.665 ( 2.305 -6.311 2.413) 7.138 2.757 ( 1.267 -6.062 -1.015) 6.275 2.873 ( -0.061 0.519 0.684) 0.861 2.980 ( -0.472 1.122 -4.573) 4.733 3.109 ( 0.091 -5.902 1.193) 6.022 3.197 ( -0.238 -0.201 0.500) 0.589 3.231 ( 0.757 -2.616 -0.185) 2.730 3.260 ( 0.849 -3.364 1.403) 3.742 3.358 ( -0.793 -0.098 -1.070) 1.335 3.392 ( -2.150 -7.882 -0.287) 8.175 3.529 ( -0.748 0.024 2.321) 2.438 3.589 ( -0.813 -0.005 0.373) 0.895 3.620 ( 1.052 -0.553 -0.479) 1.282 3.731 ( 1.015 -3.081 -0.749) 3.329 3.801 ( -0.611 -3.648 0.649) 3.756 3.851 ( -0.796 0.275 0.288) 0.890 4.032 ( 0.602 -7.121 -0.137) 7.147 4.103 ( -0.436 2.556 1.205) 2.860 4.227 ( 1.402 6.239 -1.615) 6.595 4.379 ( -3.918 3.520 2.262) 5.732 4.415 ( 0.419 -0.400 -1.071) 1.218 4.468 ( 2.162 1.560 -1.565) 3.092 4.955 ( 0.445 3.449 -0.470) 3.509 5.141 ( -0.277 3.604 1.231) 3.819 10.748 ( 1.360 -21.873 1.936) 22.001 11.007 ( -2.992 -22.528 -2.210) 22.833 14.592 ( 0.071 13.285 -1.109) 13.332 14.875 ( 1.025 17.685 0.753) 17.731 16.144 ( 0.954 4.895 0.235) 4.993 16.386 ( -1.361 8.137 0.894) 8.298 ======================= Grid point 194 (81/199) ======================= q-point: ( 0.58 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.027 2.291 0.268) 2.306 1.185 ( -0.535 -3.187 -0.329) 3.248 1.238 ( -1.704 -6.646 0.695) 6.897 1.266 ( 0.241 -5.256 1.233) 5.405 1.376 ( 1.642 -5.492 -1.699) 5.979 1.465 ( -0.829 -7.920 0.850) 8.009 1.474 ( 2.001 -6.844 -0.485) 7.147 1.565 ( -0.901 -5.539 -2.653) 6.207 1.610 ( -2.786 -1.924 -4.683) 5.779 1.630 ( 3.834 -3.731 1.459) 5.545 1.702 ( -3.939 -3.556 1.698) 5.572 1.772 ( 0.222 -2.276 1.164) 2.566 1.908 ( 1.128 -3.130 -0.070) 3.328 1.964 ( 0.670 0.048 0.639) 0.927 2.043 ( 0.630 -5.214 3.942) 6.567 2.338 ( 0.767 2.752 0.735) 2.950 2.379 ( 0.137 3.540 -1.120) 3.716 2.541 ( 0.662 -2.390 -1.057) 2.695 2.550 ( 0.068 -2.789 -1.151) 3.018 2.552 ( 0.831 -6.428 -0.748) 6.524 2.638 ( -0.996 -0.968 -2.604) 2.952 2.750 ( 0.970 -3.029 0.138) 3.184 2.835 ( 2.055 2.861 3.617) 5.049 2.956 ( 1.664 -2.718 -3.660) 4.853 2.981 ( -2.104 -9.056 -2.836) 9.721 3.172 ( -0.300 2.058 -0.539) 2.148 3.190 ( -0.986 -2.107 2.489) 3.406 3.300 ( 0.376 -3.975 -1.035) 4.125 3.329 ( 0.082 -2.732 2.865) 3.960 3.354 ( -0.518 -0.555 1.081) 1.321 3.473 ( -3.046 -1.917 -1.357) 3.846 3.588 ( -0.647 -3.121 0.353) 3.207 3.604 ( -0.209 -1.452 1.100) 1.833 3.662 ( 1.159 -4.783 -0.552) 4.952 3.775 ( 0.198 -1.382 -1.155) 1.812 3.810 ( -0.231 3.094 -0.104) 3.104 3.842 ( 0.038 0.012 0.329) 0.332 3.989 ( 0.408 4.251 1.015) 4.390 4.013 ( -0.089 5.656 0.177) 5.660 4.287 ( 1.065 -5.438 0.386) 5.554 4.352 ( -2.955 -1.414 1.893) 3.784 4.432 ( 0.602 -0.581 -1.186) 1.451 4.460 ( 0.933 -0.088 -1.265) 1.574 4.910 ( 1.052 1.229 0.109) 1.621 5.081 ( -0.415 2.483 0.342) 2.541 11.171 ( 3.301 -19.789 1.202) 20.099 11.370 ( -4.439 -15.080 -0.940) 15.748 14.341 ( -0.102 11.612 -0.699) 11.634 14.549 ( 0.797 15.098 0.431) 15.125 16.083 ( 0.282 1.482 0.130) 1.514 16.262 ( -0.373 4.421 0.131) 4.438 ======================= Grid point 195 (82/199) ======================= q-point: (-0.33 -0.75 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -0.042 1.391 0.053) 1.393 1.211 ( 0.141 -0.614 -0.429) 0.762 1.292 ( -0.201 -0.455 0.837) 0.974 1.373 ( -1.329 -4.681 -2.811) 5.619 1.432 ( 0.269 0.480 -1.537) 1.633 1.531 ( -1.405 -0.086 -0.369) 1.455 1.553 ( 0.237 -1.785 2.760) 3.295 1.669 ( 1.737 -5.742 -0.628) 6.032 1.697 ( -0.237 -4.607 0.913) 4.702 1.735 ( -2.292 -3.967 1.320) 4.768 1.798 ( 0.173 -7.939 -0.521) 7.958 1.822 ( 1.478 -2.026 1.228) 2.792 1.927 ( 0.075 2.321 0.001) 2.322 1.969 ( 1.726 -1.566 0.108) 2.334 2.107 ( -0.737 -0.397 0.022) 0.837 2.233 ( -0.037 5.540 1.229) 5.674 2.300 ( -0.446 4.570 -0.615) 4.633 2.577 ( 1.078 -1.876 -3.821) 4.391 2.606 ( 0.380 -0.383 -4.277) 4.311 2.614 ( -1.249 -2.767 -0.555) 3.086 2.717 ( 1.111 -3.942 0.460) 4.122 2.758 ( 2.581 3.178 -0.056) 4.094 2.799 ( 2.482 -0.807 2.273) 3.461 3.004 ( 0.105 -4.231 -3.477) 5.477 3.108 ( -0.381 3.622 -2.550) 4.446 3.177 ( 0.972 -6.437 1.092) 6.601 3.212 ( -2.392 -1.882 2.377) 3.862 3.334 ( -2.228 -0.382 2.614) 3.456 3.372 ( -2.433 -1.608 0.514) 2.961 3.413 ( 1.219 -3.640 1.812) 4.245 3.502 ( -1.496 -2.156 -1.632) 3.090 3.621 ( -0.246 -0.918 0.083) 0.954 3.630 ( 0.074 -0.535 1.371) 1.474 3.731 ( 0.376 3.449 -0.080) 3.470 3.763 ( 0.222 -3.176 -0.309) 3.199 3.803 ( 0.093 -1.398 -0.785) 1.606 3.819 ( 0.397 1.684 0.571) 1.822 3.929 ( -0.161 1.883 0.278) 1.910 3.945 ( 0.075 1.517 0.422) 1.577 4.336 ( -0.378 -0.738 1.033) 1.324 4.405 ( -0.528 -2.649 0.184) 2.708 4.440 ( 0.552 -0.277 -0.565) 0.837 4.462 ( 0.084 0.212 -0.398) 0.459 4.913 ( 1.648 -0.805 0.790) 1.997 5.035 ( -0.851 1.879 -0.875) 2.241 11.536 ( 7.750 -9.981 0.279) 12.640 11.583 ( -8.194 -12.164 0.058) 14.667 14.143 ( -0.163 7.483 -0.388) 7.495 14.292 ( 0.443 10.289 0.148) 10.300 16.082 ( -0.024 -1.180 0.077) 1.183 16.190 ( 0.020 3.055 -0.019) 3.055 ======================= Grid point 196 (83/199) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.027 -0.157 -0.043) 0.165 1.217 ( 0.214 -0.004 -0.961) 0.984 1.290 ( -0.274 0.314 1.144) 1.218 1.406 ( 0.742 0.600 -0.355) 1.018 1.440 ( 0.003 -2.234 -2.125) 3.083 1.502 ( -0.164 2.292 -0.805) 2.435 1.568 ( -0.500 0.378 2.855) 2.923 1.735 ( -1.108 -2.605 0.918) 2.976 1.765 ( 0.574 1.102 2.536) 2.824 1.818 ( -0.158 0.414 -0.040) 0.445 1.842 ( 0.047 -0.834 -0.128) 0.845 1.867 ( -0.280 -0.050 0.538) 0.609 1.904 ( 0.313 0.127 -1.457) 1.496 1.988 ( 0.266 -0.184 -0.499) 0.595 2.080 ( 0.054 1.352 -0.507) 1.445 2.182 ( -0.110 -0.834 0.979) 1.291 2.216 ( -0.307 2.214 1.096) 2.490 2.599 ( 1.211 0.067 -2.084) 2.411 2.618 ( 0.163 -1.756 -2.987) 3.469 2.670 ( 0.234 1.245 -2.387) 2.702 2.695 ( 2.033 0.506 -2.571) 3.317 2.725 ( -2.137 -1.375 -2.331) 3.448 2.874 ( 2.190 -0.778 -2.283) 3.258 3.044 ( 0.799 1.233 -1.744) 2.281 3.077 ( 0.423 -1.782 -2.138) 2.815 3.199 ( -1.503 -0.762 2.239) 2.802 3.257 ( -0.528 1.792 6.460) 6.725 3.331 ( -0.610 0.637 0.726) 1.143 3.384 ( -1.173 0.703 3.968) 4.197 3.466 ( -0.421 -0.743 0.163) 0.869 3.533 ( 0.299 -0.533 0.467) 0.769 3.599 ( -0.096 -0.245 0.330) 0.422 3.653 ( -0.108 -0.735 0.778) 1.076 3.690 ( 0.041 1.505 -0.323) 1.539 3.781 ( -0.044 -0.099 -0.673) 0.682 3.803 ( 0.133 0.055 -0.044) 0.151 3.832 ( 0.201 -0.259 -0.472) 0.575 3.915 ( -0.234 -0.389 0.426) 0.623 3.926 ( 0.050 0.647 0.140) 0.664 4.344 ( -0.151 -0.181 1.162) 1.186 4.430 ( 0.081 0.048 -0.521) 0.530 4.446 ( -0.058 -0.057 -0.008) 0.082 4.456 ( 0.050 -0.029 -0.203) 0.211 4.936 ( 0.128 -0.359 -0.466) 0.602 5.006 ( 0.103 0.276 -0.452) 0.540 11.551 ( -0.027 5.402 0.157) 5.404 11.813 ( -0.046 -6.715 0.141) 6.717 14.064 ( 0.037 0.086 -0.102) 0.138 14.174 ( 0.013 0.814 -0.101) 0.821 16.122 ( 0.001 -2.682 -0.000) 2.682 16.133 ( -0.005 2.706 0.020) 2.706 ======================= Grid point 197 (84/199) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.034 -1.432 -0.041) 1.433 1.214 ( 0.091 0.255 -0.733) 0.782 1.283 ( -0.094 0.534 1.127) 1.251 1.406 ( 2.157 1.008 -1.342) 2.733 1.448 ( -0.618 1.715 2.030) 2.729 1.469 ( 2.092 0.658 -1.476) 2.643 1.551 ( -0.792 1.408 2.515) 2.989 1.644 ( -2.587 7.640 1.340) 8.177 1.691 ( 0.590 9.358 1.065) 9.437 1.768 ( 0.762 1.397 1.266) 2.034 1.792 ( 0.041 6.723 -1.475) 6.883 1.871 ( -1.436 -0.907 -2.752) 3.234 1.923 ( 0.443 -1.495 -0.561) 1.657 1.967 ( -1.999 2.221 -1.442) 3.318 2.069 ( 1.514 0.761 2.337) 2.887 2.216 ( -0.010 -2.990 1.892) 3.538 2.276 ( 0.544 -5.891 0.163) 5.918 2.576 ( 0.830 2.547 -4.427) 5.175 2.612 ( 0.764 1.808 -1.978) 2.786 2.649 ( 1.486 -0.166 0.356) 1.538 2.713 ( -0.075 -0.920 -1.878) 2.093 2.758 ( -2.879 0.876 -4.837) 5.696 2.817 ( -2.162 2.070 -5.210) 6.009 3.002 ( 1.273 3.388 -2.476) 4.386 3.129 ( 0.957 -3.353 -0.320) 3.502 3.159 ( -0.375 7.619 3.307) 8.314 3.228 ( -0.669 -0.953 2.216) 2.503 3.297 ( 2.437 2.853 5.570) 6.715 3.345 ( -0.157 1.872 5.049) 5.387 3.436 ( -1.152 2.988 -0.337) 3.220 3.514 ( 1.107 1.831 1.642) 2.696 3.621 ( 0.360 1.418 -0.178) 1.474 3.645 ( -0.477 1.378 0.953) 1.742 3.705 ( -0.065 -4.166 -0.863) 4.255 3.771 ( -0.548 2.394 -1.017) 2.658 3.797 ( 0.528 1.137 0.282) 1.285 3.825 ( -0.406 -1.032 -0.626) 1.273 3.924 ( 0.102 -1.050 0.015) 1.055 3.946 ( -0.214 -2.498 0.666) 2.595 4.338 ( -0.121 1.303 1.439) 1.945 4.413 ( 0.615 1.304 -0.202) 1.456 4.440 ( -0.892 0.408 -0.141) 0.991 4.460 ( 0.370 0.086 -0.674) 0.774 4.921 ( -1.433 0.757 -2.823) 3.255 5.029 ( 1.003 -1.780 1.334) 2.440 11.360 ( 0.969 13.122 0.575) 13.171 11.802 ( -1.528 7.464 -0.365) 7.628 14.135 ( 0.402 -6.765 0.229) 6.781 14.271 ( -0.017 -10.069 -0.361) 10.076 16.086 ( -0.101 1.755 0.119) 1.762 16.186 ( 0.086 -3.671 -0.069) 3.672 ======================= Grid point 198 (85/199) ======================= q-point: (-0.08 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.088 -1.489 0.354) 1.533 1.205 ( -0.302 0.829 0.031) 0.882 1.256 ( -0.640 3.243 0.339) 3.323 1.312 ( -1.187 9.017 -3.958) 9.919 1.395 ( -1.958 3.555 0.598) 4.102 1.417 ( 2.733 8.712 1.563) 9.263 1.441 ( 1.906 8.975 -0.052) 9.175 1.511 ( 1.033 1.887 1.609) 2.687 1.579 ( 0.063 4.595 -1.283) 4.771 1.655 ( 1.342 2.474 3.297) 4.335 1.716 ( -0.549 3.846 0.646) 3.938 1.844 ( -0.737 6.003 -0.045) 6.048 1.890 ( -0.098 0.381 -2.318) 2.351 1.951 ( -0.787 1.005 -0.489) 1.367 2.025 ( -1.233 4.611 1.691) 5.064 2.291 ( 0.660 -3.567 1.344) 3.869 2.389 ( 0.320 -4.281 -1.776) 4.646 2.526 ( 0.960 2.536 -1.705) 3.203 2.555 ( -0.785 9.508 -2.133) 9.776 2.569 ( -0.235 2.847 -1.848) 3.402 2.665 ( 0.955 0.872 0.451) 1.370 2.771 ( -2.169 2.384 -2.495) 4.076 2.797 ( 0.263 -2.982 -2.290) 3.769 2.907 ( 1.349 8.636 0.067) 8.741 3.038 ( -0.128 1.941 -2.255) 2.978 3.181 ( -0.487 -0.574 1.892) 2.036 3.208 ( -0.661 1.692 1.176) 2.164 3.264 ( 2.233 2.881 0.916) 3.759 3.309 ( -0.473 2.061 2.824) 3.528 3.366 ( -0.915 2.322 1.921) 3.149 3.494 ( 1.227 0.964 2.473) 2.924 3.572 ( 1.268 4.104 -0.234) 4.302 3.609 ( -0.333 1.645 0.524) 1.758 3.671 ( -1.318 3.833 -1.511) 4.326 3.766 ( 0.823 1.982 -0.222) 2.157 3.810 ( 0.237 -3.751 0.118) 3.760 3.845 ( -0.259 -0.088 0.141) 0.308 3.990 ( -0.619 -5.808 -0.142) 5.842 4.013 ( -0.062 -4.157 0.482) 4.186 4.274 ( -0.537 5.241 1.631) 5.515 4.394 ( 1.218 0.686 -0.103) 1.402 4.430 ( -1.203 -0.055 0.201) 1.221 4.448 ( 0.339 1.161 -1.868) 2.225 4.913 ( -0.758 -0.913 -2.011) 2.335 5.076 ( 0.303 -2.512 1.202) 2.802 11.063 ( 1.467 16.687 1.187) 16.794 11.533 ( -2.808 17.753 -1.175) 18.013 14.316 ( 1.129 -10.560 0.724) 10.645 14.539 ( -0.229 -15.892 -0.769) 15.912 16.073 ( 0.033 -0.783 0.303) 0.840 16.274 ( -0.151 -5.308 -0.045) 5.310 ======================= Grid point 203 (86/199) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 8.560 -0.000 2.154) 8.827 0.468 ( 8.112 -0.000 5.466) 9.781 0.816 ( -7.007 0.000 2.485) 7.434 0.920 ( -7.631 0.000 -7.976) 11.038 0.998 ( 6.213 -0.000 7.343) 9.619 1.060 ( 1.115 -0.000 -0.099) 1.120 1.111 ( 0.685 -0.000 -2.519) 2.611 1.228 ( 0.550 -0.000 -2.082) 2.153 1.268 ( 1.619 -0.000 7.501) 7.674 1.354 ( -2.193 0.000 -1.552) 2.687 1.410 ( -1.703 0.000 -1.874) 2.532 1.593 ( 3.323 -0.000 -0.419) 3.350 1.775 ( 1.137 -0.000 0.842) 1.415 1.777 ( -3.045 0.000 -6.482) 7.162 1.812 ( -0.758 0.000 -0.774) 1.083 1.878 ( -1.043 0.000 2.782) 2.971 1.913 ( 1.814 -0.000 3.078) 3.573 2.047 ( -0.219 0.000 -0.109) 0.245 2.338 ( 0.645 -0.000 0.193) 0.673 2.426 ( 2.119 -0.000 -1.509) 2.601 2.514 ( -0.109 0.000 -0.155) 0.190 2.552 ( -3.381 0.000 -4.016) 5.250 2.606 ( 1.040 -0.000 -0.463) 1.139 2.747 ( -0.404 0.000 0.233) 0.466 2.783 ( 0.385 -0.000 0.119) 0.403 2.802 ( 0.332 -0.000 0.105) 0.348 2.981 ( 0.046 -0.000 -2.339) 2.339 3.117 ( -0.134 0.000 0.405) 0.426 3.205 ( -1.929 0.000 2.635) 3.265 3.230 ( 0.094 -0.000 0.056) 0.109 3.263 ( -0.178 0.000 0.511) 0.541 3.284 ( 0.646 -0.000 2.909) 2.980 3.342 ( -0.049 0.000 -0.122) 0.131 3.349 ( 0.139 -0.000 -0.464) 0.485 3.557 ( -1.235 0.000 -1.325) 1.811 3.667 ( 3.456 -0.000 -0.323) 3.471 3.713 ( -2.119 0.000 2.887) 3.582 3.840 ( 2.496 -0.000 5.759) 6.276 4.082 ( -4.581 0.000 -6.773) 8.177 4.510 ( 3.344 -0.000 -1.152) 3.536 4.543 ( -0.699 0.000 1.228) 1.413 4.660 ( -0.942 0.000 1.832) 2.060 4.842 ( -0.685 0.000 -0.958) 1.178 5.289 ( -1.542 0.000 -0.017) 1.542 5.377 ( -0.897 0.000 0.951) 1.307 9.294 ( 2.682 -0.000 -0.118) 2.684 9.416 ( -2.657 0.000 0.115) 2.659 15.341 ( -5.915 0.000 -14.177) 15.361 15.932 ( 5.316 -0.000 -2.677) 5.952 16.500 ( -3.282 0.000 7.202) 7.915 17.071 ( 0.466 -0.000 13.403) 13.411 ======================= Grid point 204 (87/199) ======================= q-point: ( 0.42 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 6.211 -8.313 2.430) 10.658 0.712 ( 4.834 -11.418 2.223) 12.597 0.766 ( -5.046 -1.141 1.536) 5.397 0.939 ( -3.892 -4.408 -2.364) 6.338 1.038 ( 2.325 0.423 -2.638) 3.542 1.107 ( -1.575 -6.928 -1.879) 7.349 1.175 ( 2.568 -5.496 3.333) 6.921 1.263 ( -5.552 -3.753 -0.027) 6.701 1.306 ( -2.113 -4.761 -2.173) 5.644 1.387 ( 4.067 -0.411 -0.636) 4.137 1.416 ( 1.800 -4.337 5.127) 6.952 1.554 ( 0.200 1.045 0.587) 1.215 1.701 ( -0.212 1.519 -3.177) 3.528 1.820 ( -2.299 1.100 0.972) 2.728 1.840 ( -0.814 -0.737 1.952) 2.239 1.994 ( 1.628 -9.139 0.296) 9.288 2.002 ( -0.046 -10.834 -0.493) 10.845 2.167 ( 0.324 -9.376 0.424) 9.391 2.370 ( 1.223 -2.604 -0.908) 3.017 2.459 ( 0.551 1.528 -1.669) 2.329 2.518 ( 0.262 -1.725 0.251) 1.763 2.626 ( 2.964 -1.835 -0.660) 3.548 2.683 ( -3.978 -4.317 -2.189) 6.265 2.768 ( -0.019 -5.501 -0.145) 5.503 2.835 ( -0.487 -6.380 -2.706) 6.947 2.944 ( 0.810 -6.758 -1.064) 6.889 3.005 ( -0.623 -4.955 -1.626) 5.252 3.094 ( -0.156 0.599 1.398) 1.529 3.160 ( -1.790 0.199 0.609) 1.902 3.259 ( -0.113 0.820 3.221) 3.326 3.326 ( 1.134 -3.314 -2.262) 4.170 3.427 ( -0.948 -10.470 1.191) 10.580 3.435 ( 0.585 -7.182 -0.152) 7.207 3.486 ( -0.967 -11.940 -1.894) 12.127 3.599 ( -1.907 -3.890 -1.247) 4.508 3.689 ( -1.444 1.600 0.831) 2.310 3.701 ( 2.987 -3.223 1.700) 4.712 3.806 ( 0.084 2.824 3.482) 4.485 4.047 ( -1.274 0.742 -4.757) 4.980 4.487 ( 2.067 2.926 -0.110) 3.584 4.511 ( -0.027 3.276 0.774) 3.366 4.604 ( -0.489 4.619 1.419) 4.857 4.737 ( -0.511 8.776 -0.191) 8.793 5.183 ( -0.711 7.464 -0.754) 7.535 5.326 ( -0.562 4.452 1.549) 4.747 9.702 ( 0.063 -27.750 -0.912) 27.765 9.801 ( -2.331 -35.372 -2.769) 35.557 15.159 ( -4.268 13.035 -9.258) 16.548 15.674 ( 4.701 21.148 2.968) 21.866 16.421 ( 1.444 6.701 2.126) 7.177 16.903 ( -1.757 15.019 9.919) 18.084 ======================= Grid point 205 (88/199) ======================= q-point: ( 0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 4.429 -12.930 2.175) 13.840 0.843 ( -5.983 -9.591 -1.776) 11.443 0.894 ( 4.301 -6.495 4.590) 9.042 1.020 ( -3.919 -2.587 2.988) 5.566 1.079 ( 4.196 -5.214 -3.520) 7.562 1.209 ( -2.005 -3.135 -0.213) 3.727 1.294 ( 1.969 -5.789 -3.925) 7.266 1.402 ( 0.545 -2.807 -0.041) 2.860 1.422 ( 1.969 -5.215 -2.553) 6.132 1.437 ( -3.515 -9.785 -0.819) 10.430 1.565 ( 0.706 -10.635 1.139) 10.719 1.612 ( 0.626 -4.079 2.102) 4.631 1.720 ( -2.039 -5.835 0.590) 6.209 1.781 ( -1.699 1.585 2.288) 3.261 1.858 ( -1.569 -1.908 1.056) 2.687 2.208 ( 1.412 -10.494 -0.697) 10.612 2.232 ( -1.806 -10.604 -0.361) 10.763 2.303 ( 1.693 -3.248 0.605) 3.713 2.468 ( -0.397 -6.941 -1.551) 7.123 2.495 ( 1.422 -2.010 -1.271) 2.771 2.522 ( 0.005 -2.547 0.649) 2.628 2.625 ( 2.237 2.003 2.260) 3.758 2.711 ( 0.210 -1.254 -1.025) 1.633 2.858 ( -1.869 -1.448 -4.995) 5.527 2.966 ( 1.015 -7.688 0.818) 7.798 3.013 ( 0.515 0.895 -2.603) 2.801 3.122 ( 1.933 -6.563 1.087) 6.927 3.155 ( -3.829 -6.357 -0.941) 7.480 3.215 ( -0.411 -2.882 -0.156) 2.915 3.251 ( -0.453 -2.073 3.651) 4.223 3.360 ( 1.612 -0.146 -3.235) 3.617 3.550 ( -1.325 -0.041 1.494) 1.997 3.566 ( -0.070 -4.120 0.367) 4.137 3.612 ( -0.789 -0.433 2.514) 2.670 3.663 ( 0.810 -4.194 -1.803) 4.637 3.721 ( 0.681 -2.671 1.786) 3.285 3.780 ( -3.879 -8.688 -2.415) 9.816 3.852 ( 3.071 -5.319 3.106) 6.883 4.079 ( 0.084 -3.926 -4.228) 5.770 4.396 ( 0.299 7.798 0.447) 7.816 4.435 ( 0.326 2.493 0.295) 2.532 4.508 ( -0.609 6.492 0.631) 6.551 4.542 ( 0.393 7.650 -0.212) 7.663 5.046 ( 0.186 5.687 -0.839) 5.752 5.226 ( -0.636 4.898 1.543) 5.175 10.268 ( 0.199 -26.811 1.725) 26.867 10.474 ( -1.016 -30.485 -3.505) 30.703 14.861 ( -2.216 14.053 -4.025) 14.785 15.263 ( 2.723 20.635 2.583) 20.974 16.278 ( 1.726 7.669 0.365) 7.869 16.596 ( -2.368 13.572 3.870) 14.311 ======================= Grid point 206 (89/199) ======================= q-point: (-0.42 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 1.207 0.485 0.845) 1.552 1.023 ( 1.470 -9.585 1.693) 9.843 1.090 ( -0.503 -12.162 -0.237) 12.174 1.108 ( -4.060 -8.904 3.555) 10.412 1.241 ( 2.868 -6.211 -1.902) 7.100 1.288 ( 0.779 -8.128 -0.191) 8.168 1.392 ( 1.224 -2.603 -1.678) 3.330 1.440 ( 2.306 -4.562 -2.603) 5.736 1.542 ( -0.443 -4.967 -2.600) 5.624 1.585 ( -1.663 -4.627 -1.189) 5.059 1.640 ( -2.647 -1.488 -1.429) 3.356 1.721 ( -1.481 -1.807 0.470) 2.383 1.803 ( 0.226 -7.053 3.274) 7.779 1.902 ( 0.394 -4.352 0.076) 4.371 1.944 ( -0.500 -8.918 5.408) 10.442 2.307 ( 0.318 -2.786 1.038) 2.990 2.389 ( 0.948 -5.568 -2.298) 6.098 2.452 ( 0.240 -7.411 -0.093) 7.415 2.472 ( -1.609 0.760 -0.938) 2.012 2.549 ( 1.382 1.839 0.584) 2.373 2.589 ( -1.314 -3.753 -3.478) 5.283 2.684 ( 2.023 -5.148 1.921) 5.856 2.763 ( 0.781 -6.365 -0.724) 6.454 2.874 ( 0.358 -0.477 0.016) 0.597 2.973 ( 0.254 1.656 -3.176) 3.591 3.112 ( 0.345 -5.609 0.944) 5.698 3.196 ( -0.098 0.132 0.466) 0.494 3.234 ( -0.050 -3.069 -0.340) 3.088 3.269 ( 1.064 -3.261 1.127) 3.610 3.339 ( -3.535 -3.016 -2.309) 5.188 3.386 ( 0.253 -4.515 -0.153) 4.525 3.527 ( -1.047 -0.242 2.575) 2.791 3.585 ( -0.597 -0.258 0.200) 0.680 3.627 ( 1.034 -0.364 -0.170) 1.110 3.735 ( 0.607 -2.739 -0.783) 2.912 3.798 ( -0.405 -3.758 0.742) 3.852 3.845 ( -0.719 -0.167 -0.111) 0.747 4.038 ( 0.913 -6.330 0.296) 6.402 4.103 ( -0.159 1.855 1.284) 2.262 4.235 ( 1.980 6.164 -2.045) 6.789 4.356 ( -3.768 3.576 2.365) 5.708 4.416 ( 0.316 -0.345 -1.156) 1.247 4.480 ( 1.752 1.732 -1.162) 2.724 4.958 ( 0.484 3.277 -0.345) 3.331 5.141 ( -0.400 3.593 1.184) 3.805 10.756 ( -0.005 -22.321 1.818) 22.395 10.992 ( -0.359 -22.076 -1.956) 22.165 14.585 ( -1.127 12.847 -1.842) 13.027 14.885 ( 1.348 18.077 1.351) 18.178 16.150 ( 0.701 5.149 0.155) 5.199 16.379 ( -0.975 7.899 0.972) 8.018 ======================= Grid point 207 (90/199) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.020 2.413 0.265) 2.428 1.182 ( -0.130 -3.513 -0.389) 3.537 1.230 ( -0.933 -5.962 1.032) 6.122 1.271 ( 0.531 -4.948 1.326) 5.150 1.387 ( 2.128 -5.625 -1.819) 6.283 1.458 ( -1.299 -9.132 0.337) 9.230 1.488 ( 1.710 -5.093 0.488) 5.395 1.544 ( -3.093 -2.413 -5.143) 6.468 1.595 ( 0.162 -5.587 -3.229) 6.455 1.653 ( 0.860 -3.908 1.638) 4.324 1.674 ( -3.272 -3.367 1.297) 4.871 1.781 ( 1.398 -3.199 1.438) 3.776 1.914 ( 0.642 -3.361 0.171) 3.426 1.968 ( 0.435 -0.773 0.259) 0.924 2.054 ( 0.487 -3.562 4.364) 5.654 2.339 ( -0.853 3.221 0.512) 3.371 2.381 ( 0.944 3.185 -1.132) 3.510 2.542 ( 0.207 -1.193 -1.731) 2.112 2.550 ( 0.701 -3.856 -0.161) 3.922 2.558 ( 1.054 -6.993 -0.202) 7.075 2.629 ( -0.563 -1.383 -2.268) 2.715 2.756 ( 0.758 -2.925 -0.309) 3.037 2.857 ( 2.500 2.777 3.785) 5.319 2.949 ( -1.129 -1.574 -5.689) 6.009 2.973 ( 0.537 -10.310 0.040) 10.325 3.169 ( -0.337 2.227 -1.073) 2.495 3.188 ( -0.581 -1.734 2.153) 2.824 3.298 ( -0.489 -3.302 -1.343) 3.598 3.332 ( -0.715 -1.743 3.031) 3.569 3.354 ( 0.098 -2.034 0.899) 2.226 3.449 ( -2.599 -1.969 -2.435) 4.069 3.582 ( -0.974 -2.923 0.100) 3.082 3.606 ( 0.006 -1.691 1.325) 2.149 3.669 ( 1.053 -4.722 -0.094) 4.839 3.774 ( 0.011 -1.172 -1.263) 1.723 3.808 ( -0.191 2.757 -0.142) 2.767 3.844 ( 0.094 -0.007 0.370) 0.382 3.994 ( 0.487 3.965 1.228) 4.179 4.013 ( -0.092 6.096 0.087) 6.097 4.296 ( 1.494 -5.188 0.067) 5.399 4.335 ( -2.777 -1.854 1.984) 3.884 4.433 ( 0.381 -0.806 -1.252) 1.537 4.465 ( 0.838 0.322 -0.982) 1.330 4.919 ( 1.254 0.878 0.448) 1.595 5.078 ( -0.617 2.715 0.208) 2.792 11.182 ( -1.122 -20.501 1.095) 20.561 11.355 ( 1.190 -14.370 -0.793) 14.441 14.337 ( -0.650 11.427 -0.909) 11.482 14.555 ( 0.590 15.266 0.605) 15.289 16.084 ( 0.082 1.598 0.131) 1.606 16.261 ( -0.130 4.295 0.131) 4.299 ======================= Grid point 208 (91/199) ======================= q-point: (-0.25 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.045 1.386 0.063) 1.389 1.212 ( 0.205 -0.634 -0.448) 0.803 1.291 ( -0.481 -0.558 0.864) 1.135 1.360 ( -0.825 -4.512 -2.578) 5.262 1.432 ( 0.453 0.847 -1.495) 1.777 1.519 ( -1.486 -0.329 -1.625) 2.226 1.560 ( 0.443 -1.782 2.943) 3.469 1.670 ( -0.409 -9.138 -1.285) 9.237 1.692 ( -2.248 -1.612 2.496) 3.725 1.735 ( 1.627 -5.405 0.826) 5.704 1.800 ( 0.168 -7.500 -0.040) 7.502 1.835 ( 1.706 -1.393 0.914) 2.385 1.926 ( -0.139 2.472 -0.438) 2.514 1.983 ( 1.728 -1.409 1.120) 2.495 2.099 ( -1.597 -0.283 -0.402) 1.671 2.234 ( -0.362 5.145 1.296) 5.318 2.294 ( -0.795 5.154 -0.783) 5.274 2.578 ( 1.065 -2.111 -3.902) 4.562 2.598 ( -0.458 -2.689 -3.337) 4.310 2.611 ( 0.474 0.155 -1.122) 1.228 2.725 ( 0.801 -1.794 -0.101) 1.967 2.779 ( 3.247 2.435 0.467) 4.086 2.822 ( 2.726 -2.214 3.003) 4.621 2.999 ( -0.025 -4.353 -3.300) 5.463 3.101 ( -0.458 3.550 -2.869) 4.587 3.186 ( 0.679 -8.665 0.777) 8.727 3.198 ( -2.233 -0.316 2.122) 3.097 3.320 ( -2.860 0.261 1.840) 3.411 3.356 ( -2.439 -1.588 1.160) 3.133 3.425 ( 1.257 -3.188 1.654) 3.805 3.491 ( -1.026 -2.929 -1.831) 3.603 3.619 ( -0.265 -1.535 -0.362) 1.600 3.634 ( 0.160 -0.236 1.873) 1.894 3.732 ( -0.039 3.141 -0.137) 3.144 3.765 ( 0.350 -2.453 0.023) 2.478 3.802 ( -0.131 -1.263 -1.044) 1.644 3.824 ( 0.549 1.155 0.701) 1.458 3.928 ( -0.308 2.042 0.276) 2.083 3.947 ( 0.131 1.558 0.407) 1.615 4.335 ( -0.284 -0.728 1.029) 1.292 4.402 ( -0.419 -2.780 0.064) 2.812 4.443 ( 0.531 -0.219 -0.512) 0.769 4.462 ( 0.064 0.250 -0.360) 0.443 4.928 ( 1.988 -0.753 1.333) 2.509 5.026 ( -1.198 1.983 -1.293) 2.653 11.524 ( -7.822 -10.767 0.023) 13.308 11.595 ( 8.232 -11.356 0.324) 14.030 14.141 ( -0.247 7.348 -0.430) 7.365 14.294 ( -0.029 10.404 0.181) 10.405 16.083 ( 0.048 -1.169 0.083) 1.173 16.190 ( -0.059 3.046 -0.023) 3.047 ======================= Grid point 209 (92/199) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.009 -0.131 -0.043) 0.138 1.217 ( 0.206 0.050 -0.967) 0.990 1.290 ( -0.279 0.195 1.155) 1.204 1.410 ( 0.298 -0.360 -0.302) 0.556 1.440 ( 0.980 -2.501 -1.606) 3.130 1.497 ( -0.612 1.828 -1.507) 2.447 1.569 ( -0.629 0.655 2.863) 3.003 1.725 ( -1.819 -0.565 1.341) 2.329 1.781 ( 2.330 0.011 2.238) 3.231 1.817 ( -0.156 0.398 0.112) 0.441 1.840 ( -0.647 -0.332 0.253) 0.770 1.864 ( -0.665 -0.374 -0.102) 0.769 1.904 ( 0.407 0.181 -1.461) 1.527 1.989 ( 0.199 1.003 -0.404) 1.100 2.080 ( 0.007 0.388 -0.517) 0.646 2.182 ( -0.303 0.180 0.934) 0.999 2.217 ( 0.030 0.407 1.158) 1.228 2.603 ( 0.832 0.409 -1.946) 2.156 2.614 ( 0.122 -1.760 -3.107) 3.573 2.668 ( 0.347 -0.442 -2.361) 2.427 2.697 ( 0.457 -1.449 -5.875) 6.068 2.720 ( 1.261 2.872 2.428) 3.967 2.876 ( 0.136 2.030 -4.317) 4.772 3.048 ( 0.898 -0.712 -1.763) 2.103 3.076 ( 0.429 -1.061 -1.947) 2.258 3.194 ( -0.832 -1.299 2.529) 2.962 3.259 ( -1.652 2.701 5.715) 6.533 3.334 ( 0.807 -1.699 2.359) 3.017 3.380 ( -1.567 -0.547 3.342) 3.731 3.464 ( -0.225 -0.000 0.314) 0.386 3.534 ( -0.106 -1.159 0.016) 1.164 3.599 ( -0.053 0.500 0.435) 0.665 3.654 ( -0.038 -0.759 0.733) 1.055 3.689 ( -0.028 1.485 -0.255) 1.508 3.781 ( 0.168 -0.203 -0.388) 0.469 3.803 ( -0.054 -0.032 -0.336) 0.341 3.833 ( 0.177 0.285 -0.491) 0.595 3.915 ( -0.204 -0.550 0.502) 0.771 3.926 ( 0.023 0.637 0.094) 0.644 4.345 ( -0.191 -0.243 1.126) 1.168 4.429 ( 0.033 -0.143 -0.504) 0.525 4.447 ( 0.077 0.198 -0.002) 0.212 4.456 ( -0.000 -0.070 -0.204) 0.216 4.936 ( 0.102 1.009 -0.477) 1.120 5.006 ( 0.121 -0.747 -0.442) 0.877 11.552 ( 0.049 4.558 0.156) 4.561 11.813 ( -0.128 -5.671 0.142) 5.675 14.064 ( 0.116 -0.033 -0.104) 0.159 14.174 ( -0.057 0.791 -0.099) 0.799 16.122 ( -0.000 -2.253 -0.000) 2.253 16.133 ( -0.004 2.276 0.020) 2.276 ======================= Grid point 210 (93/199) ======================= q-point: (-0.08 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.115 -1.427 -0.032) 1.432 1.213 ( 0.048 0.272 -0.661) 0.716 1.285 ( 0.010 0.570 1.018) 1.167 1.412 ( 0.748 1.782 -2.718) 3.335 1.446 ( -1.017 2.103 1.840) 2.974 1.490 ( 3.853 -1.111 0.449) 4.035 1.550 ( -0.622 1.238 2.440) 2.806 1.627 ( -2.542 7.614 0.972) 8.086 1.697 ( 0.613 8.626 1.037) 8.710 1.778 ( 1.143 2.093 1.374) 2.752 1.788 ( -0.402 6.443 -1.377) 6.601 1.854 ( -2.054 0.089 -2.674) 3.373 1.924 ( 0.091 -1.507 -0.436) 1.571 1.954 ( -1.034 1.934 -1.380) 2.591 2.083 ( 1.522 0.932 1.887) 2.597 2.219 ( 0.225 -3.607 1.674) 3.983 2.282 ( 0.958 -5.177 0.380) 5.278 2.575 ( 0.882 2.301 -4.219) 4.887 2.613 ( 0.554 1.763 -2.043) 2.755 2.657 ( 0.602 0.430 -0.350) 0.818 2.710 ( 0.000 -0.665 -1.154) 1.332 2.734 ( -1.783 1.925 -3.577) 4.436 2.795 ( -1.617 0.684 -5.013) 5.311 3.006 ( 1.136 3.554 -2.727) 4.622 3.131 ( 0.087 -3.385 -1.116) 3.566 3.161 ( -0.399 7.181 2.901) 7.755 3.228 ( -0.459 -0.561 2.338) 2.448 3.322 ( 1.904 2.758 5.584) 6.513 3.354 ( 0.370 1.974 4.785) 5.190 3.427 ( -1.395 3.049 -0.172) 3.357 3.523 ( 0.654 1.411 1.602) 2.233 3.622 ( 0.015 0.783 0.134) 0.795 3.642 ( -0.732 1.352 0.368) 1.581 3.706 ( 0.692 -3.911 -0.630) 4.021 3.766 ( -0.341 2.869 -0.956) 3.044 3.800 ( 0.336 0.996 0.085) 1.055 3.821 ( -0.356 -1.290 -0.568) 1.453 3.925 ( 0.151 -0.932 0.020) 0.944 3.946 ( -0.200 -2.450 0.648) 2.542 4.339 ( -0.195 1.279 1.373) 1.886 4.416 ( 0.210 1.121 0.030) 1.141 4.434 ( -0.508 0.735 -0.385) 0.973 4.461 ( 0.280 0.005 -0.609) 0.670 4.908 ( -0.958 0.842 -2.357) 2.679 5.037 ( 0.675 -1.733 0.932) 2.080 11.374 ( 2.724 12.986 0.584) 13.281 11.782 ( -4.023 7.830 -0.365) 8.811 14.139 ( 0.463 -6.969 0.191) 6.987 14.272 ( 0.410 -10.009 -0.330) 10.023 16.085 ( -0.156 1.679 0.108) 1.690 16.187 ( 0.148 -3.587 -0.058) 3.591 ======================= Grid point 216 (94/199) ======================= q-point: ( 0.42 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 6.170 -0.000 -0.339) 6.179 0.525 ( 5.241 -0.000 4.566) 6.951 0.774 ( -5.706 0.000 2.863) 6.384 0.841 ( -9.167 0.000 -11.326) 14.571 1.035 ( 2.610 -0.000 2.761) 3.799 1.077 ( 1.867 -0.000 2.415) 3.053 1.112 ( 0.609 -0.000 -2.491) 2.564 1.228 ( 0.680 -0.000 -2.225) 2.327 1.241 ( -9.094 0.000 0.016) 9.094 1.383 ( 4.064 -0.000 8.110) 9.072 1.409 ( 4.505 -0.000 0.020) 4.505 1.615 ( 2.957 -0.000 0.005) 2.957 1.740 ( -3.974 0.000 -5.833) 7.058 1.780 ( -0.302 0.000 0.991) 1.036 1.809 ( 0.428 -0.000 -0.902) 0.998 1.885 ( 0.938 -0.000 2.832) 2.983 1.932 ( 2.211 -0.000 2.849) 3.606 2.046 ( -0.088 0.000 -0.090) 0.126 2.343 ( 0.675 -0.000 0.518) 0.851 2.434 ( 0.772 -0.000 -1.576) 1.755 2.512 ( -0.415 0.000 -0.516) 0.662 2.527 ( -1.527 0.000 -4.062) 4.339 2.614 ( 1.493 -0.000 -0.127) 1.498 2.745 ( -0.218 0.000 0.259) 0.339 2.785 ( 0.238 -0.000 0.156) 0.285 2.803 ( 0.062 -0.000 -0.031) 0.069 2.980 ( 0.790 -0.000 -2.470) 2.594 3.118 ( -0.009 0.000 0.611) 0.611 3.192 ( -2.833 0.000 1.937) 3.432 3.231 ( 0.051 -0.000 0.060) 0.079 3.263 ( -0.144 0.000 0.503) 0.524 3.292 ( 0.056 -0.000 3.119) 3.120 3.342 ( -0.104 0.000 -0.125) 0.162 3.350 ( 0.201 -0.000 -0.458) 0.501 3.548 ( -0.781 0.000 -1.574) 1.757 3.690 ( 3.072 -0.000 0.585) 3.128 3.703 ( -1.855 0.000 1.779) 2.570 3.848 ( -2.553 0.000 1.502) 2.962 4.059 ( 0.763 -0.000 -3.062) 3.155 4.527 ( 1.255 -0.000 1.185) 1.726 4.547 ( 2.150 -0.000 -0.949) 2.350 4.655 ( -1.255 0.000 2.304) 2.624 4.833 ( -1.398 0.000 -1.149) 1.810 5.272 ( -2.600 0.000 -1.584) 3.045 5.378 ( 0.219 -0.000 1.948) 1.960 9.312 ( 2.242 -0.000 -0.120) 2.245 9.398 ( -2.226 0.000 0.118) 2.229 15.274 ( -6.123 0.000 -15.195) 16.382 15.952 ( 1.196 -0.000 0.511) 1.301 16.507 ( 2.598 -0.000 2.681) 3.733 17.097 ( 0.256 -0.000 15.463) 15.465 ======================= Grid point 217 (95/199) ======================= q-point: (-0.50 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 2.706 -7.801 0.215) 8.260 0.671 ( -8.830 -4.943 -2.903) 10.528 0.807 ( 7.870 -7.932 6.976) 13.173 0.907 ( -3.238 -6.352 -3.772) 8.066 1.051 ( 1.918 -0.590 -1.703) 2.632 1.093 ( -1.398 -5.938 -0.771) 6.149 1.190 ( -0.876 -1.967 -1.690) 2.737 1.215 ( -5.406 -6.299 2.713) 8.733 1.296 ( -0.015 -5.549 -2.861) 6.243 1.394 ( 0.487 -0.285 -2.542) 2.603 1.465 ( 6.366 -3.269 9.019) 11.513 1.555 ( -0.439 1.819 0.882) 2.068 1.689 ( -1.213 1.208 -3.589) 3.976 1.801 ( -2.890 0.495 0.802) 3.040 1.848 ( 1.360 -0.021 2.012) 2.429 1.997 ( -0.487 -9.098 0.051) 9.111 2.008 ( 1.558 -9.691 -0.217) 9.818 2.173 ( 0.973 -9.594 0.928) 9.688 2.371 ( -0.293 -2.342 -1.301) 2.695 2.469 ( 2.944 1.006 -1.085) 3.295 2.523 ( 0.982 -0.958 1.106) 1.762 2.642 ( -1.351 -5.657 -3.432) 6.754 2.654 ( 0.415 -2.857 0.653) 2.960 2.769 ( 0.332 -3.892 -0.336) 3.920 2.826 ( -0.522 -6.464 -2.952) 7.126 2.940 ( -0.970 -7.681 -3.178) 8.369 3.006 ( 1.131 -3.947 0.240) 4.113 3.093 ( -0.770 1.602 1.082) 2.081 3.151 ( -0.788 -1.212 0.425) 1.507 3.263 ( -0.424 0.817 3.652) 3.766 3.334 ( 1.862 -3.337 -1.826) 4.235 3.423 ( -0.770 -10.346 1.113) 10.434 3.441 ( 1.035 -7.467 -0.201) 7.541 3.475 ( -1.461 -11.649 -0.959) 11.779 3.584 ( -1.644 -3.655 -1.414) 4.250 3.677 ( -2.086 1.664 -0.368) 2.694 3.729 ( 3.968 -2.946 2.318) 5.458 3.799 ( -3.031 1.970 1.227) 3.817 4.045 ( 2.451 0.916 -2.634) 3.713 4.496 ( 0.375 3.037 1.179) 3.279 4.518 ( 1.630 3.880 -0.277) 4.218 4.604 ( -0.329 4.189 1.782) 4.564 4.731 ( -1.190 8.525 -0.595) 8.628 5.175 ( -0.959 6.796 -1.234) 6.974 5.326 ( -0.455 4.685 1.605) 4.973 9.703 ( 0.385 -28.045 -0.724) 28.057 9.790 ( 0.330 -34.871 -1.884) 34.923 15.108 ( -5.381 11.516 -10.738) 16.639 15.705 ( 2.594 20.577 3.679) 21.064 16.442 ( 3.629 7.016 0.529) 7.916 16.905 ( -2.652 16.421 11.180) 20.042 ======================= Grid point 218 (96/199) ======================= q-point: (-0.42 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.792 -14.075 0.305) 14.100 0.804 ( -4.055 -11.050 0.482) 11.780 0.922 ( 2.481 -5.350 2.911) 6.577 1.008 ( -1.370 0.291 3.870) 4.116 1.108 ( 5.645 -6.942 -2.435) 9.273 1.198 ( -1.072 -3.430 0.177) 3.598 1.304 ( 2.802 -6.023 -3.987) 7.747 1.397 ( -4.163 -8.184 -3.372) 9.782 1.406 ( -0.752 -6.748 2.249) 7.153 1.442 ( 3.062 -3.762 -2.627) 5.517 1.561 ( -1.553 -8.370 -1.102) 8.584 1.623 ( 0.891 -4.704 4.453) 6.539 1.702 ( -3.184 -6.178 -0.715) 6.986 1.771 ( -2.052 1.041 2.127) 3.134 1.854 ( -0.016 -1.320 1.197) 1.782 2.213 ( 0.007 -10.819 -0.630) 10.837 2.221 ( -0.748 -9.839 -0.497) 9.880 2.316 ( 1.794 -3.664 0.942) 4.187 2.457 ( -1.492 -6.402 -1.780) 6.810 2.504 ( 1.522 -0.194 -0.982) 1.822 2.532 ( 2.338 -3.416 1.122) 4.289 2.641 ( 0.796 1.749 2.207) 2.927 2.713 ( 1.122 -2.104 -0.109) 2.387 2.838 ( -1.090 -2.016 -4.975) 5.477 2.975 ( 0.995 -7.821 0.398) 7.894 3.013 ( 0.510 0.791 -2.763) 2.919 3.114 ( -5.138 -6.542 -2.886) 8.805 3.141 ( 1.341 -7.165 1.480) 7.438 3.215 ( 0.170 -1.744 0.025) 1.752 3.255 ( 0.026 -1.522 4.231) 4.496 3.369 ( 2.462 -0.159 -2.961) 3.854 3.541 ( -2.047 -0.041 1.776) 2.710 3.565 ( -0.233 -3.380 0.206) 3.394 3.612 ( -0.281 -1.309 1.802) 2.245 3.660 ( -0.667 -5.431 -1.275) 5.619 3.730 ( 0.911 -2.471 0.813) 2.756 3.751 ( -3.353 -7.882 -1.165) 8.644 3.881 ( 3.846 -5.879 2.778) 7.554 4.077 ( 1.270 -3.507 -4.088) 5.534 4.399 ( 0.402 7.753 0.708) 7.796 4.437 ( 0.095 2.422 0.261) 2.438 4.502 ( -1.151 8.808 0.645) 8.906 4.546 ( 0.756 5.695 -0.323) 5.754 5.046 ( 0.164 5.501 -0.873) 5.572 5.224 ( -0.737 4.824 1.471) 5.097 10.270 ( -0.380 -26.765 1.641) 26.818 10.470 ( 1.672 -30.429 -3.125) 30.635 14.833 ( -3.463 12.847 -4.813) 14.150 15.286 ( 2.351 21.256 3.027) 21.598 16.291 ( 1.758 8.218 0.191) 8.406 16.587 ( -2.235 13.448 4.074) 14.229 ======================= Grid point 219 (97/199) ======================= q-point: (-0.33 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.304 1.542 0.787) 1.757 1.038 ( 1.764 -9.255 2.306) 9.700 1.078 ( -2.119 -11.634 -0.521) 11.837 1.102 ( 0.028 -11.524 3.173) 11.953 1.246 ( -0.308 -3.994 -1.206) 4.183 1.308 ( 4.222 -8.839 0.354) 9.802 1.399 ( 1.459 -2.693 -1.633) 3.471 1.447 ( 0.865 -4.002 -3.159) 5.171 1.531 ( -0.304 -3.836 -5.563) 6.764 1.570 ( -2.904 -5.586 1.675) 6.515 1.622 ( -1.615 -0.970 -1.546) 2.436 1.712 ( -1.314 -3.230 0.367) 3.506 1.810 ( 0.010 -6.212 3.490) 7.126 1.905 ( 0.631 -3.691 -0.294) 3.756 1.946 ( -1.516 -11.590 5.211) 12.797 2.312 ( 0.441 -2.856 1.214) 3.135 2.391 ( 0.640 -5.970 -2.472) 6.493 2.450 ( -0.628 -7.020 0.136) 7.050 2.459 ( -1.171 1.625 -1.119) 2.294 2.561 ( 1.460 1.445 0.420) 2.097 2.577 ( -0.510 -3.751 -2.409) 4.487 2.697 ( 0.911 -4.634 0.554) 4.755 2.766 ( 0.500 -5.651 -0.513) 5.696 2.880 ( 1.335 -1.590 -0.267) 2.093 2.973 ( 0.929 1.795 -1.326) 2.418 3.116 ( 0.442 -5.331 0.468) 5.370 3.197 ( -0.136 0.473 0.646) 0.812 3.227 ( -1.454 -4.232 -1.814) 4.829 3.278 ( 1.007 -3.349 1.020) 3.643 3.310 ( -3.462 -3.905 -1.089) 5.331 3.391 ( 1.368 -2.212 -0.954) 2.771 3.523 ( -1.328 -0.537 2.528) 2.906 3.582 ( -0.305 -0.555 0.139) 0.649 3.634 ( 0.832 -0.254 0.097) 0.875 3.736 ( 0.105 -2.575 -0.764) 2.687 3.798 ( -0.166 -3.759 0.774) 3.841 3.841 ( -0.480 -0.672 -0.382) 0.910 4.045 ( 0.972 -5.077 0.539) 5.197 4.106 ( 0.116 1.196 1.311) 1.779 4.247 ( 2.344 6.168 -2.376) 7.013 4.335 ( -3.299 3.394 2.350) 5.284 4.415 ( 0.225 -0.282 -1.266) 1.316 4.489 ( 1.280 1.873 -0.727) 2.382 4.960 ( 0.443 3.064 -0.308) 3.111 5.139 ( -0.506 3.589 1.176) 3.811 10.753 ( -1.690 -22.183 1.689) 22.311 10.997 ( 2.722 -22.106 -1.780) 22.344 14.571 ( -1.922 12.244 -2.017) 12.557 14.897 ( 1.223 18.515 1.470) 18.614 16.154 ( 0.159 5.394 0.218) 5.401 16.376 ( -0.305 7.698 0.919) 7.758 ======================= Grid point 220 (98/199) ======================= q-point: (-0.25 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.075 2.397 0.281) 2.414 1.182 ( 0.371 -3.320 -0.313) 3.355 1.229 ( 0.110 -5.161 1.287) 5.320 1.277 ( 0.592 -4.727 1.070) 4.882 1.399 ( 2.097 -6.447 -1.929) 7.048 1.448 ( -1.656 -9.500 0.181) 9.645 1.493 ( -1.142 -2.425 -2.221) 3.481 1.519 ( -0.413 -2.443 -2.786) 3.729 1.596 ( 1.143 -7.523 -2.457) 7.996 1.630 ( -5.360 -2.817 2.133) 6.420 1.681 ( 1.822 -4.595 1.376) 5.130 1.794 ( 1.708 -3.902 0.877) 4.349 1.917 ( 0.004 -3.503 0.290) 3.515 1.971 ( 0.242 -1.486 -0.113) 1.510 2.064 ( 0.054 -2.088 4.379) 4.852 2.330 ( -1.785 3.473 0.453) 3.931 2.386 ( 1.035 3.315 -1.386) 3.740 2.539 ( -0.240 -1.852 -1.929) 2.684 2.559 ( 1.506 -2.573 0.254) 2.992 2.566 ( 1.015 -8.517 0.230) 8.580 2.623 ( -0.158 -1.831 -1.817) 2.584 2.759 ( 0.531 -2.801 -0.696) 2.935 2.874 ( 0.772 1.372 -0.832) 1.780 2.938 ( 0.533 -2.933 0.288) 2.995 2.979 ( 0.850 -7.517 -0.372) 7.574 3.163 ( -0.724 2.324 -1.723) 2.982 3.189 ( 0.021 -1.356 1.690) 2.167 3.288 ( -1.713 -2.507 -1.650) 3.455 3.329 ( -1.390 -1.013 3.020) 3.475 3.358 ( 0.541 -3.617 1.006) 3.793 3.432 ( -1.030 -1.737 -2.602) 3.294 3.575 ( -1.035 -2.912 -0.075) 3.091 3.608 ( 0.098 -1.821 1.331) 2.258 3.676 ( 0.866 -4.633 0.263) 4.721 3.771 ( -0.207 -0.991 -1.339) 1.679 3.807 ( -0.105 2.477 -0.142) 2.484 3.845 ( 0.115 -0.010 0.381) 0.398 4.000 ( 0.402 3.786 1.286) 4.018 4.012 ( -0.104 6.436 0.011) 6.437 4.308 ( 1.683 -5.401 -0.145) 5.659 4.320 ( -2.317 -1.668 1.986) 3.478 4.433 ( 0.263 -0.983 -1.298) 1.649 4.468 ( 0.622 0.596 -0.735) 1.132 4.928 ( 1.198 0.427 0.471) 1.357 5.073 ( -0.726 3.005 0.194) 3.097 11.161 ( -4.582 -19.624 0.904) 20.172 11.381 ( 5.828 -15.181 -0.600) 16.273 14.329 ( -1.014 11.092 -0.895) 11.174 14.559 ( 0.224 15.544 0.588) 15.557 16.084 ( -0.161 1.592 0.163) 1.608 16.261 ( 0.152 4.320 0.101) 4.324 ======================= Grid point 221 (99/199) ======================= q-point: (-0.17 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.115 1.397 0.055) 1.402 1.213 ( 0.250 -0.606 -0.505) 0.827 1.288 ( -0.676 -0.694 0.932) 1.344 1.353 ( -0.085 -4.028 -2.244) 4.612 1.433 ( 0.594 0.858 -1.024) 1.462 1.505 ( -1.332 -0.563 -2.671) 3.037 1.567 ( 0.190 -1.408 2.711) 3.061 1.663 ( -1.473 -8.644 0.584) 8.788 1.681 ( -1.560 -4.747 1.997) 5.381 1.752 ( 2.330 -5.089 0.269) 5.604 1.799 ( -0.413 -6.669 0.133) 6.683 1.850 ( 2.225 -0.916 0.636) 2.489 1.923 ( -0.434 2.633 -1.150) 2.905 1.997 ( 1.526 -1.442 2.072) 2.950 2.084 ( -2.337 -0.104 -0.809) 2.476 2.232 ( -0.815 4.507 1.361) 4.779 2.287 ( -0.799 5.754 -0.713) 5.853 2.579 ( 1.085 -2.418 -4.126) 4.904 2.591 ( 0.075 -2.169 -2.471) 3.289 2.614 ( 0.878 0.241 -1.383) 1.656 2.728 ( 0.343 -0.133 -0.847) 0.923 2.804 ( 3.479 1.600 0.893) 3.932 2.844 ( 2.217 -2.956 2.073) 4.237 2.994 ( 0.164 -3.934 -2.653) 4.748 3.092 ( -0.604 3.185 -3.072) 4.466 3.176 ( -2.784 -6.886 1.533) 7.584 3.202 ( 1.486 -2.666 1.162) 3.266 3.301 ( -3.363 0.215 1.255) 3.596 3.343 ( -1.943 -1.236 2.516) 3.410 3.436 ( 1.247 -2.913 1.416) 3.471 3.482 ( -0.500 -3.364 -1.681) 3.794 3.617 ( -0.162 -1.870 -0.513) 1.946 3.638 ( 0.072 -0.245 1.892) 1.909 3.730 ( -0.355 3.015 -0.165) 3.041 3.769 ( 0.531 -2.023 0.317) 2.115 3.798 ( -0.284 -1.059 -1.129) 1.574 3.828 ( 0.448 0.714 0.542) 1.002 3.926 ( -0.318 2.044 0.251) 2.084 3.948 ( 0.043 1.753 0.407) 1.800 4.335 ( -0.259 -0.764 1.050) 1.324 4.400 ( -0.192 -2.742 -0.042) 2.749 4.446 ( 0.505 -0.254 -0.446) 0.720 4.461 ( 0.003 0.307 -0.350) 0.465 4.945 ( 2.053 -0.850 1.530) 2.698 5.014 ( -1.437 2.207 -1.574) 3.068 11.472 ( -7.000 -11.948 0.176) 13.849 11.653 ( 8.141 -9.947 0.164) 12.855 14.138 ( -0.290 7.128 -0.397) 7.145 14.292 ( -0.462 10.481 0.154) 10.493 16.083 ( 0.102 -1.231 0.092) 1.239 16.189 ( -0.121 3.116 -0.033) 3.118 ======================= Grid point 222 (100/199) ======================= q-point: (-0.08 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -0.007 -0.071 -0.048) 0.086 1.217 ( 0.221 0.087 -0.959) 0.988 1.290 ( -0.281 0.026 1.158) 1.192 1.409 ( -0.253 -1.326 -0.796) 1.567 1.448 ( 1.531 -2.302 -0.677) 2.846 1.490 ( -0.401 1.194 -2.005) 2.368 1.569 ( -0.802 0.758 2.834) 3.041 1.717 ( -1.137 0.682 1.883) 2.303 1.801 ( 2.188 -0.557 1.643) 2.792 1.816 ( -0.116 0.787 0.411) 0.895 1.833 ( -1.545 0.372 0.516) 1.671 1.860 ( -0.346 -0.831 -0.557) 1.059 1.904 ( 0.445 0.162 -1.461) 1.536 1.989 ( 0.050 1.985 -0.403) 2.026 2.079 ( 0.078 -0.718 -0.521) 0.891 2.181 ( -0.392 1.027 0.895) 1.418 2.220 ( 0.034 -1.390 1.202) 1.838 2.601 ( -0.345 -0.293 -2.165) 2.212 2.614 ( 1.202 -0.372 -3.003) 3.256 2.667 ( 0.734 -1.866 -2.763) 3.414 2.690 ( -0.070 -0.460 -3.674) 3.704 2.741 ( 3.025 3.606 2.131) 5.167 2.862 ( -1.528 4.107 -5.665) 7.162 3.050 ( 0.571 -2.372 -2.349) 3.387 3.076 ( 0.495 0.141 -1.717) 1.792 3.196 ( 0.020 -1.821 2.893) 3.418 3.254 ( -2.260 2.756 4.838) 6.009 3.348 ( 1.338 -3.261 4.022) 5.348 3.373 ( -1.852 -1.587 2.731) 3.662 3.464 ( 0.104 0.782 0.453) 0.910 3.532 ( -0.411 -1.425 -0.371) 1.529 3.599 ( -0.051 1.059 0.477) 1.163 3.654 ( -0.101 -0.566 0.659) 0.874 3.688 ( -0.013 1.055 -0.164) 1.068 3.782 ( 0.363 -0.289 -0.186) 0.500 3.801 ( -0.170 -0.043 -0.517) 0.546 3.833 ( 0.098 0.727 -0.529) 0.905 3.914 ( -0.101 -0.616 0.576) 0.850 3.926 ( -0.038 0.507 0.048) 0.511 4.345 ( -0.305 -0.238 1.061) 1.129 4.429 ( 0.074 -0.285 -0.461) 0.546 4.447 ( 0.144 0.416 -0.001) 0.441 4.455 ( -0.016 -0.121 -0.198) 0.233 4.935 ( 0.088 2.098 -0.487) 2.156 5.007 ( 0.126 -1.563 -0.436) 1.627 11.552 ( 0.040 2.489 0.151) 2.494 11.812 ( -0.118 -3.104 0.148) 3.109 14.065 ( 0.105 -0.143 -0.110) 0.209 14.173 ( -0.048 0.557 -0.094) 0.567 16.122 ( -0.001 -1.218 -0.001) 1.218 16.133 ( -0.004 1.234 0.020) 1.235 ======================= Grid point 229 (101/199) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -1.323 0.000 -3.199) 3.462 0.547 ( -1.774 0.000 4.193) 4.553 0.756 ( -0.418 0.000 3.008) 3.037 0.769 ( -4.959 0.000 -10.808) 11.891 1.041 ( -4.409 0.000 5.824) 7.305 1.093 ( 3.278 -0.000 -0.306) 3.292 1.112 ( 0.529 -0.000 -2.425) 2.482 1.177 ( -7.147 0.000 -2.142) 7.461 1.230 ( 0.780 -0.000 -2.280) 2.410 1.392 ( 0.043 -0.000 -0.673) 0.675 1.483 ( 9.503 -0.000 10.689) 14.302 1.634 ( 2.257 -0.000 -0.073) 2.259 1.707 ( -2.720 0.000 -4.434) 5.201 1.774 ( -1.445 0.000 0.587) 1.560 1.814 ( 1.288 -0.000 -0.502) 1.383 1.895 ( 0.653 -0.000 2.543) 2.625 1.954 ( 2.870 -0.000 2.152) 3.587 2.046 ( 0.050 -0.000 -0.076) 0.091 2.349 ( 0.583 -0.000 0.746) 0.947 2.431 ( -0.631 0.000 -1.790) 1.898 2.507 ( -0.656 0.000 -0.766) 1.009 2.518 ( 0.926 -0.000 -4.033) 4.138 2.626 ( 1.707 -0.000 0.301) 1.733 2.744 ( -0.016 0.000 0.271) 0.271 2.786 ( 0.051 -0.000 0.181) 0.188 2.803 ( -0.155 0.000 -0.033) 0.158 2.983 ( 1.429 -0.000 -2.528) 2.904 3.119 ( 0.114 -0.000 0.751) 0.760 3.172 ( -3.585 0.000 1.360) 3.834 3.231 ( -0.012 0.000 0.062) 0.063 3.263 ( -0.104 0.000 0.503) 0.514 3.296 ( -0.440 0.000 3.422) 3.450 3.341 ( -0.097 0.000 -0.165) 0.191 3.351 ( 0.215 -0.000 -0.421) 0.473 3.541 ( -0.293 0.000 -2.103) 2.123 3.689 ( -2.047 0.000 -1.779) 2.713 3.715 ( 2.779 -0.000 4.058) 4.919 3.816 ( -5.765 0.000 0.099) 5.766 4.077 ( 4.542 -0.000 -1.899) 4.923 4.534 ( 0.406 -0.000 1.803) 1.848 4.565 ( 3.057 -0.000 -1.641) 3.469 4.651 ( -1.052 0.000 3.043) 3.220 4.819 ( -2.113 0.000 -1.311) 2.487 5.251 ( -2.496 0.000 -1.996) 3.196 5.384 ( 0.387 -0.000 1.935) 1.973 9.321 ( 0.158 -0.000 -0.116) 0.196 9.389 ( -0.155 0.000 0.115) 0.193 15.205 ( -6.128 0.000 -16.104) 17.231 15.953 ( -1.262 0.000 2.172) 2.512 16.541 ( 6.081 -0.000 0.157) 6.083 17.128 ( 0.636 -0.000 17.252) 17.264 ======================= Grid point 230 (102/199) ======================= q-point: (-0.42 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -6.424 -7.729 -4.122) 10.863 0.622 ( -4.975 -5.923 3.054) 8.316 0.863 ( 3.725 -4.366 3.370) 6.655 0.894 ( 3.367 -13.128 -2.823) 13.844 1.046 ( -3.213 -5.557 -1.586) 6.612 1.082 ( -3.116 -0.798 2.203) 3.899 1.156 ( -1.905 -2.785 -3.089) 4.575 1.217 ( 1.344 -5.792 1.627) 6.165 1.292 ( 0.327 -5.456 -2.791) 6.137 1.393 ( 0.472 -0.996 -2.337) 2.584 1.519 ( 4.217 0.574 6.937) 8.138 1.555 ( 0.550 1.077 2.219) 2.527 1.674 ( -1.326 1.072 -3.106) 3.544 1.782 ( -2.784 0.705 0.749) 2.968 1.863 ( 2.060 0.101 1.706) 2.677 1.993 ( -0.752 -8.589 0.440) 8.633 2.017 ( 1.185 -9.075 -0.733) 9.181 2.183 ( 1.498 -9.756 1.072) 9.928 2.364 ( -1.078 -1.901 -1.177) 2.482 2.492 ( 3.788 0.136 -1.265) 3.996 2.537 ( 2.470 -0.192 2.237) 3.338 2.608 ( -4.569 -6.929 -2.885) 8.787 2.680 ( 4.316 -2.521 0.301) 5.007 2.770 ( 0.312 -3.076 -1.040) 3.262 2.818 ( -0.626 -6.631 -2.754) 7.208 2.922 ( -2.004 -6.665 -4.180) 8.119 3.018 ( 1.908 -4.151 0.804) 4.639 3.087 ( -1.181 2.445 0.508) 2.763 3.152 ( 0.482 -2.970 0.782) 3.109 3.266 ( -0.597 0.747 4.276) 4.381 3.344 ( 1.796 -3.486 -2.008) 4.406 3.421 ( -0.470 -10.140 1.004) 10.200 3.450 ( 1.752 -7.799 -0.295) 7.999 3.463 ( -1.638 -11.078 -0.325) 11.203 3.572 ( -1.151 -3.303 -2.513) 4.308 3.657 ( -3.182 1.747 -1.722) 4.017 3.762 ( 2.303 -0.478 3.978) 4.621 3.778 ( -1.179 -2.428 1.160) 2.937 4.066 ( 4.189 1.625 -2.804) 5.296 4.498 ( -0.286 3.210 1.055) 3.391 4.529 ( 1.446 4.505 -0.076) 4.732 4.607 ( 0.347 3.788 2.221) 4.405 4.719 ( -1.799 8.177 -0.812) 8.412 5.166 ( -0.891 6.074 -1.376) 6.291 5.325 ( -0.458 5.020 1.558) 5.276 9.705 ( 0.486 -27.814 -0.506) 27.823 9.800 ( 3.500 -35.242 -2.046) 35.475 15.049 ( -5.930 10.341 -10.961) 16.194 15.723 ( 0.602 19.489 3.599) 19.827 16.473 ( 4.968 8.010 -0.068) 9.426 16.903 ( -3.541 17.906 12.070) 21.882 ======================= Grid point 231 (103/199) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -4.482 -15.626 -1.464) 16.322 0.796 ( -2.184 -11.979 4.162) 12.868 0.947 ( 3.990 -5.287 1.115) 6.717 1.007 ( -0.543 2.047 2.348) 3.162 1.149 ( 6.513 -7.939 -1.229) 10.343 1.195 ( 0.061 -3.381 1.064) 3.545 1.320 ( 3.316 -6.611 -3.893) 8.358 1.357 ( -5.442 -10.421 -2.511) 12.022 1.408 ( -0.224 -5.824 2.324) 6.274 1.459 ( 3.368 -2.885 -3.757) 5.813 1.542 ( -3.037 -7.345 -1.346) 8.061 1.636 ( 0.456 -4.068 4.662) 6.204 1.676 ( -3.456 -5.793 -1.677) 6.951 1.760 ( -2.123 -0.019 2.389) 3.196 1.861 ( 1.032 -0.671 1.433) 1.889 2.207 ( -1.295 -10.666 0.290) 10.749 2.219 ( 0.182 -9.705 -1.352) 9.801 2.331 ( 1.797 -3.902 0.862) 4.382 2.444 ( -1.575 -5.862 -1.646) 6.289 2.514 ( 1.795 0.216 -0.697) 1.938 2.554 ( 3.076 -2.625 1.052) 4.178 2.640 ( -1.613 0.807 0.759) 1.957 2.729 ( 2.889 -2.065 1.570) 3.883 2.827 ( -0.084 -2.484 -4.087) 4.783 2.981 ( 0.675 -8.468 -0.344) 8.501 3.010 ( 0.097 -0.352 -3.562) 3.581 3.069 ( -5.359 -5.880 -3.039) 8.516 3.154 ( 1.352 -6.557 1.784) 6.928 3.216 ( -0.136 -0.726 0.421) 0.850 3.266 ( 1.016 -1.320 4.361) 4.669 3.382 ( 2.568 -0.387 -3.315) 4.211 3.528 ( -2.492 -0.001 1.671) 3.000 3.563 ( -0.307 -2.656 -0.129) 2.677 3.613 ( -0.273 -2.261 1.400) 2.673 3.652 ( -0.924 -6.139 -0.993) 6.287 3.727 ( -1.914 -10.470 -1.888) 10.809 3.738 ( -0.360 -0.310 2.516) 2.560 3.915 ( 4.407 -5.504 2.501) 7.482 4.083 ( 2.274 -2.639 -4.536) 5.719 4.403 ( 0.507 7.536 0.891) 7.606 4.437 ( -0.322 2.340 0.083) 2.364 4.495 ( -1.206 10.345 0.360) 10.421 4.551 ( 0.700 4.483 0.051) 4.538 5.045 ( 0.156 5.327 -0.903) 5.405 5.221 ( -0.763 4.770 1.487) 5.054 10.268 ( -0.940 -26.524 1.690) 26.595 10.486 ( 4.239 -30.085 -3.263) 30.557 14.799 ( -3.897 11.682 -4.496) 13.110 15.305 ( 1.437 21.462 2.687) 21.677 16.302 ( 1.152 9.051 0.532) 9.140 16.580 ( -1.623 13.000 3.851) 13.655 ======================= Grid point 232 (104/199) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -1.247 1.582 1.026) 2.260 1.052 ( 0.823 -12.102 2.948) 12.483 1.068 ( -0.030 -10.875 -1.194) 10.941 1.114 ( 1.942 -10.474 2.265) 10.890 1.240 ( -1.037 -3.065 0.169) 3.240 1.340 ( 4.657 -7.733 -0.336) 9.033 1.405 ( 0.916 -2.575 -1.286) 3.020 1.442 ( -0.265 -3.813 -4.834) 6.163 1.524 ( 1.217 -2.865 -5.414) 6.245 1.549 ( -4.031 -4.770 2.712) 6.808 1.611 ( -0.973 -2.354 -1.049) 2.755 1.704 ( -0.945 -4.419 0.468) 4.543 1.815 ( -0.233 -5.605 3.503) 6.614 1.909 ( 0.674 -3.474 -0.407) 3.562 1.941 ( -2.236 -13.481 4.811) 14.488 2.318 ( 0.629 -2.941 1.329) 3.288 2.387 ( -0.652 -6.359 -2.717) 6.946 2.446 ( -0.334 -2.393 0.000) 2.416 2.452 ( -0.594 -1.781 -0.684) 1.998 2.563 ( -0.146 -1.456 -2.642) 3.020 2.580 ( 1.545 -0.965 1.341) 2.262 2.698 ( -0.422 -4.990 -0.987) 5.104 2.770 ( 0.919 -3.994 -0.253) 4.106 2.890 ( 1.517 -2.266 -0.986) 2.900 2.981 ( 1.464 1.319 0.763) 2.113 3.120 ( 0.409 -5.093 -0.118) 5.110 3.196 ( -0.715 0.672 0.568) 1.134 3.207 ( -2.584 -6.003 -3.526) 7.426 3.285 ( -0.145 -4.843 1.208) 4.994 3.293 ( -0.828 -1.456 0.951) 1.927 3.401 ( 1.966 -1.183 -1.484) 2.733 3.516 ( -1.496 -0.793 2.141) 2.730 3.581 ( 0.061 -0.878 0.196) 0.901 3.639 ( 0.503 -0.235 0.283) 0.623 3.734 ( -0.386 -2.580 -0.724) 2.707 3.799 ( 0.019 -3.685 0.737) 3.758 3.838 ( -0.161 -1.066 -0.418) 1.156 4.052 ( 0.788 -3.740 0.500) 3.855 4.109 ( 0.322 0.785 1.326) 1.574 4.259 ( 1.944 6.560 -2.313) 7.223 4.319 ( -2.050 2.684 1.931) 3.891 4.415 ( 0.168 -0.241 -1.380) 1.411 4.495 ( 0.741 1.995 -0.290) 2.148 4.963 ( 0.334 2.862 -0.372) 2.906 5.138 ( -0.565 3.594 1.211) 3.834 10.740 ( -2.572 -21.567 1.640) 21.781 11.021 ( 4.764 -22.536 -1.785) 23.103 14.553 ( -2.198 11.642 -1.692) 11.968 14.906 ( 0.768 18.874 1.183) 18.927 16.153 ( -0.486 5.544 0.412) 5.581 16.378 ( 0.435 7.608 0.743) 7.657 ======================= Grid point 233 (105/199) ======================= q-point: (-0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.128 2.249 0.311) 2.274 1.186 ( 0.768 -2.712 -0.171) 2.824 1.236 ( 1.242 -4.308 1.479) 4.721 1.282 ( 0.543 -4.585 0.624) 4.659 1.407 ( 1.031 -9.531 -2.523) 9.913 1.435 ( -1.967 -7.240 -0.774) 7.542 1.473 ( -1.520 -0.669 -3.934) 4.270 1.525 ( 1.179 -3.328 0.821) 3.625 1.592 ( -3.593 -4.693 1.123) 6.017 1.606 ( -0.026 -6.453 -0.467) 6.470 1.693 ( 1.127 -4.754 1.450) 5.096 1.807 ( 1.823 -4.583 0.263) 4.939 1.916 ( -0.585 -3.513 0.389) 3.583 1.971 ( 0.135 -1.721 -0.497) 1.796 2.069 ( -0.629 -1.200 4.001) 4.224 2.317 ( -2.033 3.568 0.551) 4.143 2.390 ( 0.746 3.696 -1.775) 4.167 2.533 ( -0.295 -2.253 -1.890) 2.956 2.570 ( 1.607 -0.807 -0.822) 1.977 2.573 ( 0.822 -10.975 1.354) 11.088 2.620 ( 0.242 -2.157 -1.213) 2.486 2.761 ( 0.581 -2.852 -0.935) 3.057 2.865 ( -1.266 -0.875 -5.316) 5.534 2.954 ( 1.610 -3.753 3.558) 5.417 2.986 ( 1.457 -4.113 1.280) 4.547 3.153 ( -0.922 2.501 -2.426) 3.604 3.194 ( 0.481 -1.232 1.426) 1.945 3.270 ( -2.447 -2.010 -1.434) 3.477 3.324 ( -1.468 -1.036 3.042) 3.533 3.364 ( 0.495 -4.292 0.880) 4.409 3.427 ( 0.653 -1.303 -1.910) 2.403 3.568 ( -0.867 -3.039 -0.259) 3.171 3.611 ( 0.051 -1.825 1.212) 2.191 3.682 ( 0.753 -4.595 0.455) 4.679 3.766 ( -0.412 -0.846 -1.347) 1.644 3.807 ( -0.029 2.293 -0.103) 2.296 3.846 ( 0.092 0.012 0.359) 0.371 4.004 ( 0.184 3.904 1.186) 4.085 4.011 ( -0.118 6.455 -0.022) 6.456 4.305 ( -2.135 -4.080 2.008) 5.023 4.323 ( 2.112 -2.876 -0.355) 3.586 4.433 ( 0.249 -1.122 -1.300) 1.735 4.471 ( 0.286 0.746 -0.543) 0.966 4.936 ( 0.865 -0.010 0.127) 0.874 5.069 ( -0.674 3.286 0.355) 3.373 11.128 ( -5.028 -18.504 0.861) 19.195 11.427 ( 7.115 -16.185 -0.592) 17.690 14.320 ( -1.125 10.708 -0.685) 10.789 14.560 ( -0.181 15.845 0.408) 15.851 16.083 ( -0.369 1.465 0.215) 1.526 16.263 ( 0.386 4.489 0.050) 4.506 ======================= Grid point 234 (106/199) ======================= q-point: (-0.08 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.153 1.417 0.029) 1.426 1.214 ( 0.262 -0.542 -0.591) 0.844 1.285 ( -0.664 -0.707 1.057) 1.435 1.352 ( 0.736 -3.423 -1.817) 3.945 1.437 ( 0.670 0.549 -0.280) 0.911 1.492 ( -1.061 -0.822 -3.390) 3.647 1.570 ( -0.642 -0.925 2.320) 2.579 1.655 ( -1.258 -7.859 2.501) 8.343 1.677 ( -0.436 -7.594 1.305) 7.718 1.767 ( 1.817 -4.862 -0.049) 5.191 1.794 ( -0.976 -6.021 -0.076) 6.100 1.868 ( 2.596 -0.511 0.525) 2.697 1.916 ( -0.638 2.747 -1.857) 3.377 2.010 ( 1.077 -2.007 2.532) 3.406 2.064 ( -2.720 0.420 -1.059) 2.949 2.227 ( -1.186 3.837 1.460) 4.273 2.281 ( -0.611 6.209 -0.522) 6.260 2.580 ( 1.111 -2.746 -4.454) 5.349 2.591 ( 0.784 -1.411 -1.892) 2.487 2.618 ( 0.946 0.014 -1.219) 1.543 2.727 ( 0.033 0.717 -1.347) 1.526 2.827 ( 2.468 1.185 -0.246) 2.748 2.858 ( 1.203 -3.659 0.337) 3.866 2.992 ( 0.463 -2.419 -2.020) 3.186 3.083 ( -0.245 2.161 -2.248) 3.128 3.161 ( -2.137 -6.708 1.946) 7.305 3.215 ( 1.627 -3.127 1.163) 3.712 3.279 ( -3.262 -0.175 1.361) 3.539 3.337 ( -1.503 -0.939 3.668) 4.073 3.447 ( 0.974 -2.841 0.954) 3.151 3.478 ( 0.097 -3.352 -1.110) 3.532 3.615 ( -0.003 -2.097 -0.602) 2.182 3.641 ( -0.039 -0.349 1.770) 1.805 3.726 ( -0.566 3.155 -0.206) 3.212 3.773 ( 0.657 -1.941 0.522) 2.115 3.794 ( -0.388 -0.923 -1.159) 1.531 3.831 ( 0.226 0.497 0.262) 0.606 3.925 ( -0.244 1.952 0.214) 1.979 3.949 ( -0.095 1.979 0.434) 2.028 4.335 ( -0.286 -0.846 1.113) 1.427 4.400 ( 0.125 -2.554 -0.135) 2.560 4.448 ( 0.450 -0.343 -0.342) 0.661 4.461 ( -0.103 0.363 -0.399) 0.549 4.960 ( 1.611 -1.387 0.988) 2.344 5.002 ( -1.280 2.809 -1.295) 3.348 11.428 ( -5.758 -12.545 0.295) 13.806 11.708 ( 7.315 -8.978 0.023) 11.581 14.135 ( -0.286 6.886 -0.296) 6.898 14.288 ( -0.738 10.496 0.072) 10.522 16.084 ( 0.125 -1.355 0.104) 1.364 16.188 ( -0.150 3.249 -0.046) 3.253 ======================= Grid point 242 (107/199) ======================= q-point: (-0.42 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -10.406 0.000 -6.937) 12.507 0.515 ( -8.567 0.000 4.509) 9.681 0.739 ( -0.851 0.000 -5.098) 5.168 0.777 ( 4.597 -0.000 2.746) 5.355 0.991 ( -10.681 0.000 4.517) 11.597 1.111 ( 0.480 -0.000 -2.331) 2.380 1.122 ( 3.096 -0.000 1.219) 3.328 1.146 ( 0.376 -0.000 -3.692) 3.712 1.231 ( 0.802 -0.000 -2.236) 2.375 1.392 ( 0.463 -0.000 -1.702) 1.764 1.560 ( 7.000 -0.000 10.343) 12.489 1.645 ( 1.153 -0.000 -1.363) 1.786 1.688 ( -1.248 0.000 -2.226) 2.552 1.764 ( -1.690 0.000 0.268) 1.711 1.823 ( 1.285 -0.000 -0.212) 1.302 1.901 ( -0.121 0.000 2.347) 2.350 1.980 ( 3.732 -0.000 1.088) 3.888 2.046 ( 0.113 -0.000 -0.095) 0.148 2.354 ( 0.476 -0.000 0.859) 0.982 2.421 ( -1.046 0.000 -2.045) 2.297 2.500 ( -0.822 0.000 -0.865) 1.194 2.525 ( 2.502 -0.000 -3.732) 4.493 2.638 ( 1.664 -0.000 0.483) 1.733 2.745 ( 0.189 -0.000 0.269) 0.329 2.786 ( -0.157 0.000 0.185) 0.243 2.801 ( -0.255 0.000 0.180) 0.312 2.991 ( 2.001 -0.000 -2.506) 3.207 3.121 ( -0.041 0.000 0.705) 0.706 3.148 ( -3.782 0.000 1.122) 3.945 3.231 ( -0.074 0.000 0.061) 0.096 3.263 ( -0.071 0.000 0.511) 0.516 3.297 ( -0.868 0.000 3.823) 3.920 3.340 ( -0.051 0.000 -0.217) 0.223 3.351 ( 0.199 -0.000 -0.376) 0.425 3.536 ( -0.156 0.000 -2.958) 2.962 3.666 ( -3.477 0.000 -2.940) 4.553 3.743 ( 2.462 -0.000 4.658) 5.268 3.782 ( -3.472 0.000 2.883) 4.513 4.106 ( 4.721 -0.000 -3.683) 5.988 4.538 ( -0.277 0.000 0.648) 0.705 4.581 ( 2.095 -0.000 -1.038) 2.338 4.654 ( 0.574 -0.000 3.993) 4.034 4.799 ( -2.757 0.000 -1.329) 3.061 5.232 ( -1.835 0.000 -1.694) 2.498 5.389 ( 0.109 -0.000 1.532) 1.536 9.313 ( -2.080 0.000 -0.092) 2.082 9.397 ( 2.069 -0.000 0.091) 2.071 15.133 ( -6.399 0.000 -16.265) 17.479 15.943 ( -2.865 0.000 2.464) 3.779 16.591 ( 8.436 -0.000 -0.885) 8.482 17.166 ( 1.678 -0.000 18.588) 18.663 ======================= Grid point 243 (108/199) ======================= q-point: (-0.33 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -9.225 -9.612 -3.888) 13.878 0.594 ( -6.103 -7.180 6.261) 11.314 0.877 ( 2.726 -6.771 -4.608) 8.632 0.931 ( 2.491 -14.146 4.367) 15.013 1.002 ( -6.339 -8.556 0.323) 10.654 1.061 ( -2.549 2.023 -0.552) 3.301 1.167 ( 4.324 -1.902 -1.013) 4.832 1.229 ( 1.502 -5.937 0.395) 6.137 1.290 ( 0.348 -5.188 -2.811) 5.911 1.393 ( 0.831 -1.357 -2.334) 2.825 1.532 ( -0.873 3.959 0.714) 4.117 1.582 ( 3.552 -0.010 5.816) 6.815 1.662 ( -1.056 1.042 -1.495) 2.106 1.764 ( -2.807 0.991 0.568) 3.030 1.882 ( 2.301 -0.088 1.472) 2.733 1.988 ( -0.752 -7.762 0.864) 7.846 2.022 ( 0.672 -8.782 -1.262) 8.897 2.197 ( 1.870 -9.760 0.751) 9.966 2.354 ( -1.229 -1.598 -0.809) 2.172 2.515 ( 3.017 -0.899 -1.186) 3.364 2.563 ( 2.243 -1.839 1.129) 3.113 2.575 ( -2.131 -3.905 -1.051) 4.571 2.712 ( 4.693 -2.858 0.052) 5.495 2.770 ( 0.345 -2.910 -1.909) 3.497 2.808 ( -0.953 -6.388 -2.210) 6.826 2.900 ( -2.249 -5.249 -4.491) 7.265 3.033 ( 2.043 -4.465 0.691) 4.958 3.080 ( -0.901 2.587 0.401) 2.768 3.159 ( 1.122 -4.336 0.694) 4.532 3.270 ( -0.456 0.422 5.160) 5.198 3.349 ( 0.739 -3.621 -2.400) 4.407 3.420 ( -0.085 -9.827 0.821) 9.862 3.452 ( -1.433 -9.611 -0.017) 9.718 3.465 ( 2.683 -8.764 -0.683) 9.191 3.557 ( -1.727 -2.806 -4.426) 5.517 3.630 ( -3.273 1.266 -1.160) 3.696 3.752 ( -2.737 0.960 2.558) 3.867 3.815 ( 6.612 -5.318 4.652) 9.677 4.089 ( 3.928 2.001 -4.602) 6.372 4.494 ( -1.251 3.242 0.301) 3.488 4.537 ( 0.942 4.935 0.472) 5.046 4.617 ( 1.233 3.780 2.710) 4.811 4.703 ( -2.262 7.762 -0.804) 8.125 5.159 ( -0.571 5.499 -1.206) 5.659 5.324 ( -0.511 5.275 1.501) 5.508 9.708 ( 0.559 -27.245 -0.356) 27.253 9.832 ( 6.841 -36.094 -3.280) 36.883 14.989 ( -6.065 9.142 -9.762) 14.685 15.726 ( -1.103 18.300 2.845) 18.553 16.510 ( 5.496 9.706 0.326) 11.158 16.896 ( -4.512 19.236 12.442) 23.349 ======================= Grid point 244 (109/199) ======================= q-point: (-0.25 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -4.334 -16.390 -0.486) 16.960 0.782 ( -3.755 -13.334 5.459) 14.890 0.975 ( 2.771 -3.437 -0.665) 4.464 1.012 ( 2.185 -0.140 0.709) 2.301 1.187 ( 3.760 -5.558 -0.917) 6.773 1.204 ( 2.598 -5.926 1.889) 6.741 1.312 ( -5.261 -12.378 -2.304) 13.646 1.340 ( 3.477 -5.203 -3.269) 7.060 1.410 ( -0.234 -6.237 2.230) 6.627 1.476 ( 3.445 -2.242 -4.402) 6.022 1.516 ( -3.609 -6.689 -0.881) 7.651 1.644 ( -0.490 -4.925 4.362) 6.597 1.650 ( -2.686 -3.323 -2.200) 4.806 1.751 ( -1.829 -1.172 3.029) 3.728 1.872 ( 1.333 -0.166 1.679) 2.151 2.198 ( -1.224 -10.886 0.181) 10.956 2.217 ( -0.158 -9.182 -1.077) 9.246 2.344 ( 1.832 -4.146 0.507) 4.561 2.430 ( -1.459 -5.480 -1.502) 5.867 2.526 ( 2.010 0.417 -0.800) 2.203 2.577 ( 2.924 -1.591 1.009) 3.478 2.625 ( -2.606 -0.150 -0.201) 2.618 2.755 ( 3.422 -1.263 1.917) 4.120 2.822 ( 0.249 -3.123 -2.632) 4.092 2.980 ( -0.894 -9.943 -2.053) 10.192 2.999 ( -0.858 -4.622 -4.832) 6.741 3.038 ( -2.113 -0.836 -0.714) 2.382 3.165 ( 0.914 -6.326 2.077) 6.721 3.214 ( -0.577 -0.107 0.973) 1.137 3.284 ( 1.789 -0.624 3.986) 4.413 3.393 ( 2.292 -1.084 -3.748) 4.525 3.512 ( -2.776 -0.045 0.959) 2.937 3.561 ( -0.250 -2.298 -0.452) 2.355 3.612 ( -0.694 -3.567 1.035) 3.778 3.645 ( -0.715 -5.921 -0.436) 5.980 3.714 ( -1.241 -10.014 -0.084) 10.091 3.739 ( -0.440 -1.522 2.080) 2.614 3.950 ( 4.318 -4.265 2.185) 6.451 4.093 ( 2.971 -1.851 -5.470) 6.494 4.409 ( 0.570 7.211 1.005) 7.303 4.433 ( -0.795 2.246 -0.259) 2.397 4.487 ( -1.026 11.083 0.047) 11.130 4.556 ( 0.445 3.928 0.627) 4.003 5.045 ( 0.162 5.214 -0.926) 5.298 5.218 ( -0.701 4.746 1.592) 5.055 10.264 ( -1.154 -26.181 1.845) 26.272 10.516 ( 5.870 -29.439 -3.891) 30.270 14.766 ( -3.554 10.651 -3.307) 11.706 15.315 ( 0.331 21.336 1.829) 21.417 16.308 ( 0.001 9.983 1.367) 10.077 16.578 ( -0.627 12.320 3.191) 12.742 ======================= Grid point 245 (110/199) ======================= q-point: (-0.17 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -2.343 0.151 1.441) 2.754 1.057 ( 0.184 -12.895 -0.355) 12.902 1.074 ( 0.992 -12.891 1.817) 13.056 1.136 ( 3.590 -7.347 0.907) 8.227 1.234 ( -0.920 -2.191 1.255) 2.687 1.365 ( 2.369 -5.541 -2.715) 6.610 1.402 ( -1.109 -3.735 -1.623) 4.220 1.437 ( 1.891 -3.543 -4.022) 5.684 1.523 ( -2.601 -2.739 -0.217) 3.784 1.532 ( 1.194 -2.921 -0.970) 3.301 1.603 ( -1.038 -4.231 -0.318) 4.368 1.701 ( -0.460 -5.237 0.766) 5.312 1.819 ( -0.433 -5.200 3.454) 6.258 1.912 ( -0.008 -5.099 -0.109) 5.101 1.933 ( -2.033 -12.851 4.047) 13.626 2.325 ( 0.789 -2.851 1.285) 3.225 2.374 ( -1.810 -6.448 -2.502) 7.149 2.445 ( -0.233 1.871 -1.430) 2.366 2.449 ( 0.452 -5.480 0.740) 5.548 2.557 ( -0.306 -1.998 -2.805) 3.457 2.595 ( 1.585 -0.395 1.903) 2.508 2.691 ( -0.731 -5.497 -1.767) 5.820 2.777 ( 1.183 -2.564 -0.076) 2.825 2.894 ( 0.393 -2.126 -2.595) 3.378 2.995 ( 1.704 0.332 2.415) 2.974 3.121 ( 0.313 -4.864 -0.716) 4.927 3.175 ( -2.748 -6.035 -3.796) 7.640 3.198 ( -0.289 -0.445 0.964) 1.101 3.281 ( -1.060 -3.772 1.986) 4.392 3.297 ( 0.704 -1.644 1.365) 2.250 3.413 ( 2.301 -0.704 -1.629) 2.906 3.509 ( -1.421 -1.023 1.447) 2.271 3.583 ( 0.380 -1.125 0.327) 1.231 3.642 ( 0.154 -0.340 0.339) 0.504 3.729 ( -0.814 -2.711 -0.661) 2.907 3.800 ( 0.195 -3.605 0.635) 3.666 3.837 ( 0.123 -1.235 -0.164) 1.252 4.057 ( 0.455 -2.734 0.192) 2.778 4.114 ( 0.367 0.808 1.326) 1.596 4.263 ( -0.092 7.198 -1.037) 7.273 4.316 ( 0.770 1.663 0.307) 1.858 4.413 ( 0.165 -0.252 -1.484) 1.515 4.498 ( 0.124 2.109 0.136) 2.117 4.964 ( 0.178 2.726 -0.524) 2.781 5.136 ( -0.557 3.606 1.284) 3.868 10.725 ( -2.557 -20.832 1.692) 21.056 11.054 ( 5.361 -23.052 -1.983) 23.750 14.536 ( -1.952 11.167 -1.019) 11.382 14.911 ( 0.171 19.087 0.635) 19.098 16.149 ( -0.997 5.549 0.666) 5.677 16.384 ( 0.981 7.665 0.512) 7.744 ======================= Grid point 246 (111/199) ======================= q-point: (-0.08 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.172 2.021 0.344) 2.057 1.192 ( 0.905 -2.023 -0.074) 2.218 1.251 ( 2.016 -2.972 1.689) 3.969 1.287 ( 0.792 -4.903 0.028) 4.966 1.398 ( -1.825 -12.483 -3.891) 13.202 1.424 ( -0.265 -4.733 -1.610) 5.006 1.463 ( -0.230 -0.681 -1.390) 1.564 1.529 ( -0.876 -4.600 1.106) 4.812 1.570 ( -2.504 -2.114 3.328) 4.671 1.612 ( 1.469 -8.348 -1.625) 8.631 1.702 ( 0.577 -4.714 1.466) 4.970 1.820 ( 1.740 -5.366 -0.138) 5.643 1.911 ( -0.902 -3.265 0.434) 3.415 1.971 ( 0.043 -1.532 -0.870) 1.762 2.068 ( -1.436 -0.979 3.327) 3.753 2.304 ( -1.863 3.654 0.735) 4.167 2.391 ( 0.520 4.034 -2.089) 4.572 2.528 ( -0.188 -2.547 -1.860) 3.159 2.576 ( 0.896 -3.737 -1.547) 4.143 2.581 ( 0.504 -9.082 1.201) 9.175 2.623 ( 0.817 -1.863 -0.363) 2.067 2.765 ( 0.944 -3.101 -0.950) 3.378 2.846 ( -1.167 -1.022 -5.518) 5.732 2.958 ( -1.321 -6.573 -0.274) 6.710 3.008 ( 2.805 -0.580 4.381) 5.234 3.145 ( -0.064 2.565 -1.993) 3.249 3.200 ( 0.610 -1.413 1.404) 2.083 3.252 ( -2.144 -1.762 -0.725) 2.869 3.319 ( -1.409 -1.136 3.048) 3.545 3.368 ( 0.287 -4.370 0.694) 4.434 3.433 ( 1.677 -0.988 -0.858) 2.127 3.562 ( -0.509 -3.246 -0.469) 3.319 3.613 ( -0.100 -1.768 1.047) 2.057 3.688 ( 0.641 -4.597 0.365) 4.655 3.761 ( -0.479 -0.770 -1.195) 1.500 3.806 ( 0.014 2.265 -0.042) 2.266 3.847 ( 0.028 0.052 0.310) 0.316 4.006 ( -0.180 5.044 0.760) 5.104 4.011 ( -0.048 5.393 0.200) 5.397 4.295 ( -1.907 -4.017 2.109) 4.922 4.338 ( 2.395 -2.728 -0.618) 3.683 4.432 ( 0.310 -1.231 -1.253) 1.784 4.470 ( -0.144 0.792 -0.412) 0.904 4.940 ( 0.306 -0.273 -0.527) 0.668 5.066 ( -0.439 3.439 0.684) 3.534 11.097 ( -4.198 -17.658 0.916) 18.173 11.474 ( 6.562 -16.898 -0.713) 18.142 14.312 ( -0.957 10.375 -0.341) 10.424 14.558 ( -0.510 16.093 0.122) 16.101 16.080 ( -0.482 1.263 0.271) 1.379 16.266 ( 0.503 4.747 -0.005) 4.773 ======================= Grid point 255 (112/199) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( -13.605 0.000 -7.072) 15.333 0.451 ( -11.511 0.000 5.350) 12.694 0.716 ( -7.217 0.000 4.321) 8.412 0.820 ( 5.842 -0.000 2.302) 6.279 0.934 ( -4.672 0.000 -1.078) 4.795 1.111 ( 0.469 -0.000 -2.216) 2.265 1.120 ( -1.574 0.000 -0.288) 1.600 1.175 ( 6.488 -0.000 -1.483) 6.655 1.233 ( 0.713 -0.000 -2.104) 2.221 1.394 ( 1.302 -0.000 -2.333) 2.672 1.612 ( 3.492 -0.000 7.326) 8.116 1.643 ( -0.430 0.000 -3.521) 3.547 1.683 ( 0.244 -0.000 1.451) 1.471 1.752 ( -1.584 0.000 0.087) 1.586 1.831 ( 1.026 -0.000 -0.081) 1.029 1.901 ( -0.911 0.000 2.040) 2.234 2.009 ( 4.282 -0.000 -0.175) 4.285 2.047 ( 0.104 -0.000 -0.131) 0.167 2.358 ( 0.339 -0.000 0.780) 0.851 2.410 ( -1.006 0.000 -2.220) 2.437 2.493 ( -0.835 0.000 -0.749) 1.122 2.539 ( 3.152 -0.000 -3.330) 4.585 2.650 ( 1.364 -0.000 0.319) 1.400 2.748 ( 0.370 -0.000 0.252) 0.448 2.785 ( -0.366 0.000 0.170) 0.404 2.800 ( -0.307 0.000 0.450) 0.545 3.004 ( 2.701 -0.000 -2.163) 3.461 3.113 ( -2.963 0.000 0.133) 2.966 3.132 ( -0.859 0.000 1.659) 1.868 3.231 ( -0.117 0.000 0.057) 0.131 3.264 ( -0.055 0.000 0.526) 0.529 3.296 ( -1.313 0.000 4.207) 4.407 3.339 ( 0.012 -0.000 -0.269) 0.269 3.352 ( 0.162 -0.000 -0.334) 0.372 3.527 ( -0.789 0.000 -3.917) 3.995 3.635 ( -3.507 0.000 -2.354) 4.224 3.747 ( -1.774 0.000 1.866) 2.574 3.800 ( 4.820 -0.000 9.132) 10.326 4.126 ( 2.984 -0.000 -6.564) 7.211 4.529 ( -2.401 0.000 -0.702) 2.502 4.593 ( 1.665 -0.000 -0.292) 1.690 4.673 ( 2.658 -0.000 4.388) 5.131 4.777 ( -3.113 0.000 -0.982) 3.264 5.220 ( -0.971 0.000 -0.948) 1.357 5.391 ( -0.306 0.000 1.164) 1.204 9.296 ( -2.634 0.000 -0.082) 2.635 9.414 ( 2.613 -0.000 0.081) 2.614 15.061 ( -6.849 0.000 -14.621) 16.145 15.922 ( -4.083 0.000 1.757) 4.445 16.655 ( 10.155 -0.000 -1.171) 10.222 17.215 ( 3.354 -0.000 18.728) 19.026 ======================= Grid point 256 (113/199) ======================= q-point: (-0.25 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -7.551 -12.445 -0.838) 14.580 0.556 ( -7.902 -8.294 7.982) 13.962 0.869 ( -7.333 -18.075 0.479) 19.512 0.923 ( 0.513 -3.483 0.198) 3.526 1.007 ( 4.786 -10.864 0.423) 11.879 1.045 ( -1.502 1.945 -1.737) 3.010 1.199 ( 4.276 -0.923 0.567) 4.411 1.240 ( 1.557 -6.633 -0.285) 6.820 1.288 ( 0.395 -4.787 -3.000) 5.663 1.397 ( 1.485 -1.352 -2.423) 3.147 1.524 ( -1.099 3.764 -0.413) 3.943 1.604 ( 0.390 1.254 0.777) 1.526 1.659 ( 0.331 1.120 3.041) 3.258 1.746 ( -2.529 1.053 0.672) 2.820 1.900 ( 2.107 -0.648 1.261) 2.539 1.985 ( -0.634 -6.668 1.310) 6.825 2.023 ( 0.245 -8.664 -1.743) 8.841 2.211 ( 1.970 -9.587 0.005) 9.787 2.344 ( -1.137 -1.371 -0.415) 1.829 2.525 ( -0.897 -5.437 0.062) 5.511 2.550 ( 0.431 -2.427 -3.766) 4.501 2.599 ( 3.671 1.996 2.639) 4.942 2.743 ( 3.936 -3.059 -0.908) 5.066 2.770 ( 0.807 -3.397 -2.388) 4.230 2.798 ( -0.877 -4.999 -1.149) 5.204 2.878 ( -1.725 -4.579 -4.174) 6.431 3.048 ( 1.901 -4.143 0.042) 4.559 3.077 ( -0.249 2.125 1.133) 2.421 3.168 ( 1.132 -5.232 -0.032) 5.353 3.278 ( 0.077 -0.505 6.145) 6.167 3.345 ( -0.973 -3.647 -2.567) 4.565 3.422 ( 0.247 -9.397 0.575) 9.418 3.443 ( -1.027 -8.774 0.177) 8.835 3.484 ( 3.059 -8.456 -1.875) 9.186 3.531 ( -2.799 -2.003 -5.301) 6.321 3.613 ( -1.246 0.018 0.192) 1.261 3.741 ( -1.734 0.505 2.616) 3.179 3.878 ( 8.756 -4.984 5.332) 11.399 4.102 ( 2.554 1.707 -7.111) 7.746 4.481 ( -2.372 2.829 -0.222) 3.699 4.544 ( 0.577 5.272 0.582) 5.335 4.632 ( 1.606 4.174 3.169) 5.482 4.686 ( -2.378 7.403 -0.547) 7.795 5.155 ( -0.121 5.171 -0.819) 5.237 5.323 ( -0.498 5.377 1.543) 5.616 9.711 ( 0.640 -26.555 -0.297) 26.565 9.883 ( 9.781 -36.659 -5.856) 38.391 14.934 ( -5.318 7.720 -6.812) 11.588 15.717 ( -2.500 17.156 1.541) 17.405 16.549 ( 4.934 12.315 1.753) 13.382 16.881 ( -5.461 19.776 12.022) 23.779 ======================= Grid point 257 (114/199) ======================= q-point: (-0.17 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -3.875 -16.453 0.933) 16.929 0.764 ( -3.976 -14.963 5.608) 16.467 0.981 ( 0.050 -0.344 -1.233) 1.281 1.042 ( 5.371 -4.220 -1.150) 6.926 1.198 ( 0.420 -3.764 1.020) 3.923 1.230 ( 2.654 -10.008 -0.194) 10.356 1.276 ( -3.311 -9.638 -1.359) 10.281 1.361 ( 3.485 -5.642 -2.823) 7.207 1.410 ( -0.574 -6.747 1.138) 6.866 1.491 ( -2.390 -2.476 1.648) 3.815 1.494 ( 2.794 -5.068 -6.084) 8.397 1.625 ( -2.703 -5.457 -2.117) 6.447 1.651 ( -0.009 -1.897 4.092) 4.510 1.746 ( -1.300 -1.973 3.773) 4.452 1.884 ( 1.126 0.210 1.934) 2.248 2.190 ( -1.205 -10.974 -0.273) 11.043 2.215 ( -0.155 -8.765 -0.430) 8.777 2.358 ( 1.868 -4.456 0.074) 4.832 2.418 ( -1.436 -5.200 -1.457) 5.588 2.538 ( 1.931 0.737 -1.095) 2.339 2.596 ( 1.943 -1.327 0.332) 2.376 2.606 ( -2.257 -0.347 -0.032) 2.284 2.780 ( 3.149 0.041 0.681) 3.222 2.817 ( -1.023 -4.023 -1.517) 4.419 2.961 ( -1.644 -10.912 -3.819) 11.678 2.993 ( 0.417 -6.443 -2.659) 6.983 3.032 ( -0.061 1.322 -0.085) 1.327 3.174 ( 0.522 -6.128 2.430) 6.613 3.212 ( -0.737 0.207 1.485) 1.670 3.302 ( 1.614 0.685 3.178) 3.629 3.402 ( 2.262 -2.473 -3.668) 4.969 3.492 ( -2.932 -0.355 -0.367) 2.977 3.559 ( -0.036 -2.361 -0.618) 2.441 3.607 ( -1.057 -5.177 0.571) 5.315 3.641 ( -0.555 -4.672 0.810) 4.774 3.710 ( -0.162 -9.373 1.084) 9.437 3.739 ( -0.577 -2.550 2.050) 3.323 3.980 ( 3.160 -2.514 1.600) 4.343 4.105 ( 3.498 -1.419 -6.523) 7.537 4.415 ( 0.473 6.811 1.005) 6.901 4.425 ( -0.999 2.173 -0.589) 2.463 4.481 ( -0.784 11.105 -0.288) 11.137 4.559 ( 0.088 3.870 1.276) 4.076 5.045 ( 0.179 5.193 -0.939) 5.280 5.217 ( -0.559 4.763 1.764) 5.110 10.259 ( -1.103 -25.841 2.028) 25.944 10.552 ( 6.229 -28.574 -4.854) 29.645 14.740 ( -2.411 9.909 -1.502) 10.308 15.315 ( -0.734 20.964 0.664) 20.987 16.306 ( -1.326 10.686 2.435) 11.039 16.582 ( 0.416 11.668 2.310) 11.902 ======================= Grid point 258 (115/199) ======================= q-point: (-0.08 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -2.490 -1.543 1.790) 3.432 1.057 ( 0.499 -12.663 -1.780) 12.798 1.082 ( 0.281 -14.878 2.626) 15.110 1.164 ( 4.039 -4.788 -0.516) 6.285 1.232 ( -0.255 -1.669 2.010) 2.625 1.361 ( -0.930 -2.260 -6.049) 6.524 1.390 ( -1.747 -6.774 -1.145) 7.089 1.450 ( 2.257 -2.269 -1.686) 3.618 1.506 ( -1.618 -3.032 0.295) 3.449 1.546 ( 2.957 -1.789 -0.878) 3.565 1.597 ( -0.737 -5.837 0.690) 5.924 1.701 ( -0.020 -5.632 1.163) 5.751 1.821 ( -0.519 -4.980 3.399) 6.052 1.906 ( -1.969 -10.905 1.376) 11.166 1.929 ( -0.439 -7.182 2.082) 7.491 2.332 ( 0.426 -2.177 0.585) 2.294 2.357 ( -1.470 -7.152 -1.544) 7.463 2.439 ( -0.756 -0.190 -0.930) 1.214 2.458 ( 1.434 -3.056 0.111) 3.377 2.550 ( -0.306 -1.808 -2.668) 3.237 2.607 ( 0.826 -0.758 1.637) 1.984 2.685 ( 0.148 -5.735 -1.544) 5.941 2.785 ( 0.852 -1.769 -0.060) 1.964 2.886 ( -1.143 -1.641 -4.135) 4.593 3.010 ( 1.226 -0.546 2.277) 2.643 3.122 ( 0.395 -4.731 -0.867) 4.826 3.156 ( -0.989 -6.985 -2.840) 7.605 3.199 ( -0.228 0.029 1.626) 1.642 3.278 ( -1.070 -3.020 2.040) 3.798 3.305 ( 0.605 -1.942 1.906) 2.787 3.427 ( 2.252 -0.577 -1.461) 2.746 3.502 ( -1.011 -1.233 0.569) 1.693 3.587 ( 0.537 -1.172 0.450) 1.366 3.642 ( -0.153 -0.579 0.247) 0.647 3.721 ( -1.067 -2.957 -0.531) 3.188 3.803 ( 0.394 -3.536 0.486) 3.591 3.839 ( 0.272 -1.163 0.311) 1.234 4.059 ( 0.076 -2.302 -0.262) 2.318 4.118 ( 0.207 1.270 1.262) 1.802 4.256 ( -1.562 7.047 0.262) 7.222 4.329 ( 2.902 1.452 -1.313) 3.501 4.412 ( 0.224 -0.330 -1.573) 1.623 4.497 ( -0.563 2.226 0.541) 2.359 4.963 ( 0.013 2.693 -0.725) 2.788 5.134 ( -0.483 3.619 1.375) 3.902 10.711 ( -2.058 -20.202 1.797) 20.386 11.087 ( 4.755 -23.486 -2.287) 24.072 14.523 ( -1.242 10.913 -0.165) 10.985 14.911 ( -0.403 19.128 -0.036) 19.133 16.142 ( -1.228 5.420 0.891) 5.629 16.393 ( 1.177 7.840 0.306) 7.934 ======================= Grid point 268 (116/199) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( -10.837 0.000 -0.423) 10.845 0.377 ( -12.308 0.000 6.709) 14.018 0.647 ( -15.643 0.000 12.516) 20.034 0.863 ( 5.273 -0.000 1.830) 5.582 0.927 ( 3.503 -0.000 -5.338) 6.385 1.107 ( -1.776 0.000 -1.164) 2.123 1.110 ( 0.473 -0.000 -2.099) 2.151 1.217 ( 5.538 -0.000 -0.560) 5.566 1.234 ( 0.521 -0.000 -1.913) 1.983 1.403 ( 2.730 -0.000 -3.064) 4.103 1.625 ( -1.799 0.000 -2.155) 2.807 1.635 ( 0.051 -0.000 -0.871) 0.873 1.695 ( 1.018 -0.000 5.740) 5.830 1.742 ( -1.244 0.000 -0.012) 1.244 1.837 ( 0.678 -0.000 -0.041) 0.679 1.896 ( -1.529 0.000 1.439) 2.100 2.037 ( 3.972 -0.000 -1.343) 4.193 2.047 ( 0.088 -0.000 -0.141) 0.166 2.361 ( 0.043 -0.000 0.413) 0.415 2.398 ( -1.575 0.000 -2.386) 2.859 2.487 ( -0.566 0.000 -0.353) 0.667 2.556 ( 3.226 -0.000 -2.935) 4.361 2.659 ( 1.248 -0.000 0.091) 1.252 2.751 ( 0.500 -0.000 0.219) 0.546 2.782 ( -0.549 0.000 0.142) 0.567 2.798 ( -0.498 0.000 0.346) 0.606 3.023 ( 3.606 -0.000 -1.177) 3.793 3.090 ( -3.431 0.000 0.265) 3.441 3.133 ( -0.009 0.000 1.713) 1.713 3.230 ( -0.130 0.000 0.052) 0.140 3.264 ( -0.060 0.000 0.541) 0.545 3.293 ( -1.900 0.000 4.313) 4.713 3.339 ( 0.080 -0.000 -0.314) 0.323 3.352 ( 0.114 -0.000 -0.299) 0.320 3.512 ( -1.406 0.000 -3.740) 3.995 3.614 ( -1.645 0.000 -1.225) 2.051 3.739 ( -1.204 0.000 1.864) 2.219 3.866 ( 9.125 -0.000 11.360) 14.571 4.122 ( -0.453 0.000 -9.556) 9.567 4.504 ( -3.955 0.000 -0.797) 4.034 4.603 ( 1.262 -0.000 -0.680) 1.433 4.701 ( 2.519 -0.000 3.408) 4.237 4.757 ( -1.682 0.000 0.411) 1.731 5.216 ( -0.082 0.000 0.069) 0.107 5.389 ( -0.501 0.000 1.204) 1.304 9.278 ( -2.369 0.000 -0.088) 2.370 9.432 ( 2.343 -0.000 0.085) 2.345 14.992 ( -6.259 0.000 -9.463) 11.345 15.892 ( -4.984 0.000 0.354) 4.997 16.728 ( 11.028 -0.000 -1.166) 11.089 17.274 ( 4.775 -0.000 15.643) 16.356 ======================= Grid point 269 (117/199) ======================= q-point: (-0.17 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -4.199 -14.205 3.322) 15.180 0.514 ( -8.263 -9.101 9.456) 15.509 0.802 ( -10.959 -21.127 6.146) 24.581 0.946 ( 5.396 -2.386 -3.976) 7.115 1.032 ( -0.251 -1.084 -3.132) 3.324 1.042 ( 3.431 -8.648 1.773) 9.471 1.224 ( 2.573 -0.712 1.012) 2.855 1.248 ( 0.800 -7.046 -0.581) 7.115 1.287 ( 0.982 -4.298 -3.005) 5.336 1.406 ( 2.145 -0.871 -2.624) 3.499 1.517 ( -0.630 2.912 -1.006) 3.144 1.594 ( -2.048 1.366 -2.752) 3.692 1.670 ( 0.223 1.854 4.265) 4.656 1.734 ( -1.250 0.719 2.100) 2.547 1.915 ( 1.585 -1.570 1.064) 2.471 1.984 ( -0.576 -5.365 1.709) 5.659 2.020 ( -0.022 -8.768 -2.189) 9.038 2.224 ( 1.679 -9.306 -0.960) 9.505 2.336 ( -0.989 -1.167 -0.100) 1.533 2.508 ( -2.613 -8.056 -0.133) 8.470 2.559 ( 2.516 0.409 -3.008) 3.942 2.622 ( 1.548 2.232 0.584) 2.779 2.754 ( -0.369 -2.506 -2.094) 3.286 2.775 ( 2.115 -4.875 -2.769) 5.992 2.802 ( 2.447 -2.290 1.094) 3.525 2.863 ( -0.866 -5.010 -3.302) 6.062 3.059 ( 1.495 -1.962 -1.269) 2.774 3.081 ( 0.521 0.187 2.710) 2.766 3.174 ( 0.836 -5.658 -0.943) 5.797 3.290 ( 0.230 -2.447 6.378) 6.835 3.328 ( -2.080 -2.995 -2.157) 4.236 3.425 ( 0.365 -8.990 0.352) 9.004 3.438 ( -0.577 -8.010 0.337) 8.038 3.488 ( -1.108 -3.001 -4.942) 5.887 3.517 ( 1.873 -6.208 -2.506) 6.952 3.611 ( 0.220 -0.892 0.493) 1.043 3.735 ( -1.122 0.442 2.539) 2.811 3.953 ( 9.591 -2.909 4.494) 10.984 4.100 ( 0.962 0.261 -9.858) 9.908 4.462 ( -2.783 2.139 -0.333) 3.526 4.546 ( -0.144 5.423 0.499) 5.447 4.646 ( 0.544 4.374 2.970) 5.315 4.671 ( -1.177 7.561 0.325) 7.659 5.154 ( 0.324 5.121 -0.327) 5.141 5.323 ( -0.310 5.384 1.720) 5.661 9.715 ( 0.611 -25.894 -0.302) 25.903 9.944 ( 11.120 -36.241 -9.903) 39.180 14.897 ( -2.679 6.384 -2.075) 7.228 15.697 ( -3.540 16.098 -0.148) 16.483 16.581 ( 2.478 16.090 4.452) 16.877 16.861 ( -5.632 18.372 10.346) 21.824 ======================= Grid point 270 (118/199) ======================= q-point: (-0.08 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -2.833 -16.178 2.638) 16.635 0.745 ( -4.037 -16.331 4.715) 17.471 0.978 ( 0.103 -0.192 -1.502) 1.517 1.075 ( 4.678 -5.536 -2.544) 7.681 1.200 ( -0.439 -6.841 1.909) 7.116 1.227 ( -1.876 -10.238 -2.190) 10.636 1.272 ( 1.466 -5.342 0.056) 5.539 1.377 ( 2.432 -5.619 -2.570) 6.640 1.404 ( -1.394 -7.239 -0.201) 7.375 1.475 ( -2.020 -4.291 1.751) 5.056 1.512 ( 3.900 -2.369 -4.724) 6.568 1.604 ( -2.297 -5.339 -2.330) 6.262 1.661 ( 0.837 -2.262 4.763) 5.339 1.745 ( -0.849 -2.160 4.299) 4.886 1.894 ( 0.658 0.468 2.178) 2.323 2.181 ( -1.088 -10.657 -0.603) 10.730 2.214 ( 0.114 -8.771 0.069) 8.772 2.371 ( 1.913 -4.865 -0.293) 5.236 2.405 ( -1.634 -4.966 -1.526) 5.446 2.549 ( 1.562 1.092 -1.471) 2.408 2.586 ( -2.219 -1.001 -0.858) 2.581 2.612 ( 1.350 -0.966 0.721) 1.810 2.791 ( -1.570 -0.092 -4.228) 4.511 2.809 ( 1.189 -3.569 1.594) 4.085 2.955 ( 1.195 -10.609 -1.450) 10.774 2.992 ( 0.444 -6.584 -2.145) 6.939 3.033 ( 0.413 1.120 -0.315) 1.235 3.181 ( 0.187 -5.850 2.761) 6.471 3.210 ( -0.606 0.371 1.946) 2.072 3.313 ( 0.163 1.690 1.800) 2.475 3.415 ( 3.122 -3.858 -2.706) 5.653 3.470 ( -2.801 -0.852 -1.906) 3.494 3.559 ( 0.251 -2.645 -0.614) 2.727 3.600 ( -1.046 -6.281 0.313) 6.375 3.639 ( -0.627 -3.072 2.206) 3.834 3.714 ( 0.632 -8.562 1.713) 8.755 3.739 ( -0.594 -3.511 2.086) 4.127 3.997 ( 1.025 -1.033 0.445) 1.521 4.120 ( 3.752 -1.116 -7.154) 8.155 4.412 ( -1.191 3.732 -0.658) 3.972 4.424 ( 0.652 4.734 0.836) 4.851 4.475 ( -0.531 10.595 -0.715) 10.632 4.561 ( -0.313 4.209 1.895) 4.627 5.044 ( 0.199 5.266 -0.934) 5.351 5.217 ( -0.375 4.827 1.953) 5.220 10.255 ( -0.961 -25.584 2.183) 25.695 10.584 ( 5.275 -27.729 -5.908) 28.838 14.729 ( -0.539 9.700 0.587) 9.733 15.307 ( -1.604 20.413 -0.626) 20.486 16.298 ( -2.355 10.869 3.336) 11.611 16.590 ( 1.100 11.308 1.554) 11.467 ======================= Grid point 281 (119/199) ======================= q-point: (-0.17 -0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( -0.318 0.000 12.886) 12.890 0.306 ( -11.342 0.000 8.681) 14.283 0.554 ( -17.228 0.000 17.303) 24.417 0.898 ( 3.864 -0.000 1.399) 4.109 0.954 ( 6.168 -0.000 -5.514) 8.274 1.092 ( -1.977 0.000 -1.769) 2.653 1.110 ( 0.468 -0.000 -2.011) 2.065 1.234 ( 0.291 -0.000 -1.710) 1.735 1.247 ( 3.178 -0.000 -0.283) 3.190 1.422 ( 4.232 -0.000 -3.984) 5.812 1.602 ( -2.985 0.000 -3.698) 4.752 1.622 ( -3.047 0.000 -3.828) 4.893 1.713 ( 0.907 -0.000 7.464) 7.519 1.735 ( -0.704 0.000 -0.047) 0.706 1.840 ( 0.293 -0.000 -0.056) 0.298 1.885 ( -1.883 0.000 0.462) 1.939 2.048 ( 0.119 -0.000 -0.098) 0.154 2.058 ( 2.854 -0.000 -2.056) 3.518 2.360 ( -0.448 0.000 -0.209) 0.494 2.379 ( -2.796 0.000 -1.979) 3.425 2.485 ( -0.007 0.000 0.265) 0.265 2.572 ( 2.688 -0.000 -2.882) 3.941 2.670 ( 2.020 -0.000 -0.137) 2.025 2.755 ( 0.558 -0.000 0.172) 0.584 2.778 ( -0.674 0.000 0.112) 0.683 2.794 ( -0.743 0.000 -0.140) 0.756 3.048 ( 2.757 -0.000 0.418) 2.789 3.070 ( -1.228 0.000 -0.123) 1.234 3.136 ( -0.017 0.000 2.168) 2.168 3.229 ( -0.112 0.000 0.047) 0.121 3.265 ( -0.083 0.000 0.554) 0.560 3.284 ( -2.517 0.000 3.970) 4.700 3.339 ( 0.140 -0.000 -0.346) 0.373 3.353 ( 0.059 -0.000 -0.275) 0.281 3.500 ( -0.308 0.000 -1.921) 1.946 3.606 ( -0.367 0.000 -1.064) 1.125 3.736 ( -0.672 0.000 1.983) 2.094 3.967 ( 13.746 -0.000 10.255) 17.150 4.084 ( -5.561 0.000 -10.850) 12.192 4.475 ( -3.667 0.000 -0.077) 3.668 4.605 ( -0.340 0.000 -1.323) 1.366 4.706 ( -1.882 0.000 1.260) 2.265 4.769 ( 4.067 -0.000 2.050) 4.555 5.219 ( 0.755 -0.000 1.202) 1.420 5.390 ( 0.277 -0.000 1.779) 1.800 9.263 ( -1.742 0.000 -0.099) 1.745 9.447 ( 1.719 -0.000 0.094) 1.722 14.955 ( -0.721 0.000 0.241) 0.760 15.854 ( -5.470 0.000 -1.472) 5.665 16.802 ( 10.593 -0.000 -0.817) 10.625 17.320 ( 1.558 -0.000 6.523) 6.707 ======================= Grid point 282 (120/199) ======================= q-point: (-0.08 -0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -0.597 -13.779 7.022) 15.476 0.473 ( -8.234 -9.268 10.628) 16.330 0.751 ( -6.615 -23.567 8.693) 25.976 0.977 ( 4.762 -1.106 -3.766) 6.171 1.026 ( 0.431 -0.386 -3.231) 3.283 1.065 ( 2.062 -10.445 1.441) 10.744 1.239 ( 0.846 0.373 0.387) 1.003 1.247 ( -0.401 -8.178 -1.126) 8.265 1.292 ( 1.441 -4.165 -1.956) 4.822 1.416 ( 1.829 0.082 -2.860) 3.396 1.513 ( 0.212 1.557 -1.553) 2.209 1.572 ( -2.578 1.109 -3.337) 4.360 1.671 ( -1.241 1.994 1.500) 2.787 1.738 ( 0.682 0.581 4.777) 4.861 1.925 ( 0.954 -2.490 0.934) 2.825 1.982 ( -0.759 -4.227 1.892) 4.692 2.016 ( -0.095 -9.198 -2.538) 9.542 2.230 ( 0.857 -9.075 -1.921) 9.316 2.330 ( -0.785 -1.007 0.110) 1.282 2.493 ( -1.646 -8.000 0.092) 8.168 2.570 ( 1.850 0.725 -2.860) 3.483 2.621 ( -1.170 1.358 -2.265) 2.888 2.742 ( -1.475 -0.516 -1.577) 2.220 2.790 ( 2.989 -5.681 -2.026) 6.732 2.825 ( 2.886 -0.985 1.389) 3.351 2.855 ( 0.109 -5.929 -2.172) 6.315 3.065 ( 1.141 0.615 -1.827) 2.240 3.092 ( 0.718 -2.085 3.339) 4.002 3.177 ( 0.639 -5.722 -1.554) 5.964 3.287 ( -3.643 -3.297 1.579) 5.161 3.325 ( 1.422 -3.198 2.640) 4.383 3.428 ( 0.237 -8.425 0.009) 8.428 3.436 ( -0.182 -7.908 0.594) 7.933 3.471 ( -0.685 -0.234 -4.286) 4.347 3.532 ( 2.868 -7.509 -2.433) 8.398 3.616 ( 0.835 -1.504 0.590) 1.818 3.733 ( -0.768 0.516 2.516) 2.681 4.006 ( 1.674 0.790 0.484) 1.913 4.096 ( 4.936 -2.281 -10.351) 11.692 4.444 ( -2.154 1.606 -0.321) 2.706 4.543 ( -1.021 5.039 0.942) 5.227 4.643 ( -1.777 5.057 0.756) 5.413 4.676 ( 1.351 7.510 2.752) 8.112 5.158 ( 0.665 5.337 0.189) 5.381 5.325 ( 0.011 5.468 1.905) 5.790 9.719 ( 0.423 -25.382 -0.353) 25.388 9.997 ( 9.143 -35.057 -14.496) 39.022 14.897 ( 2.638 6.391 3.379) 7.696 15.668 ( -4.137 15.154 -1.995) 15.835 16.592 ( -2.798 20.292 8.453) 22.159 16.842 ( -3.547 14.522 7.213) 16.598 ======================= Grid point 294 (121/199) ======================= q-point: (-0.08 -0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( -7.847 0.000 10.933) 13.457 0.263 ( 4.790 -0.000 17.364) 18.013 0.481 ( -10.938 0.000 22.604) 25.111 0.921 ( 1.929 -0.000 1.104) 2.223 0.990 ( 6.272 -0.000 -4.473) 7.703 1.075 ( -1.818 0.000 -2.106) 2.782 1.110 ( 0.453 -0.000 -1.998) 2.049 1.233 ( 0.125 -0.000 -1.549) 1.554 1.259 ( 0.535 -0.000 -0.505) 0.736 1.445 ( 3.837 -0.000 -4.893) 6.218 1.574 ( -3.052 0.000 -3.431) 4.592 1.581 ( -6.109 0.000 -3.881) 7.237 1.730 ( 0.649 -0.000 6.162) 6.197 1.733 ( -0.036 0.000 -0.022) 0.042 1.841 ( -0.094 0.000 -0.105) 0.140 1.873 ( -1.499 0.000 -0.124) 1.504 2.049 ( 0.173 -0.000 -0.020) 0.174 2.068 ( 0.677 -0.000 -2.608) 2.694 2.354 ( -0.884 0.000 -0.800) 1.192 2.357 ( -2.374 0.000 -0.508) 2.428 2.488 ( 0.581 -0.000 0.826) 1.010 2.583 ( 1.807 -0.000 -3.196) 3.672 2.685 ( 2.304 -0.000 -1.523) 2.761 2.759 ( 0.481 -0.000 0.117) 0.495 2.773 ( -0.658 0.000 0.092) 0.664 2.788 ( -0.635 0.000 -0.278) 0.693 3.043 ( -2.411 0.000 0.451) 2.453 3.089 ( 4.250 -0.000 -0.252) 4.257 3.141 ( 0.376 -0.000 3.606) 3.626 3.228 ( -0.069 0.000 0.043) 0.082 3.265 ( -0.116 0.000 0.560) 0.572 3.272 ( -2.643 0.000 3.461) 4.355 3.340 ( 0.184 -0.000 -0.360) 0.405 3.352 ( 0.007 -0.000 -0.262) 0.262 3.504 ( 1.884 -0.000 0.126) 1.888 3.602 ( -0.092 0.000 -1.314) 1.317 3.737 ( -0.281 0.000 2.373) 2.389 3.989 ( -12.224 0.000 -5.690) 13.484 4.102 ( 16.074 -0.000 1.148) 16.115 4.456 ( -1.756 0.000 0.246) 1.773 4.593 ( -2.505 0.000 -0.335) 2.527 4.693 ( -1.954 0.000 1.087) 2.236 4.804 ( 4.733 -0.000 -0.148) 4.735 5.230 ( 1.442 -0.000 2.248) 2.671 5.402 ( 2.272 -0.000 1.555) 2.754 9.254 ( -0.924 0.000 -0.110) 0.930 9.456 ( 0.910 -0.000 0.104) 0.916 15.006 ( 14.283 -0.000 8.386) 16.563 15.811 ( -5.334 0.000 -3.388) 6.319 16.870 ( 8.814 -0.000 0.254) 8.818 17.285 ( -14.369 0.000 -3.984) 14.911 ======================= Grid point 295 (122/199) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -0.860 0.000 5.474) 5.541 0.527 ( -3.759 0.000 9.146) 9.888 0.861 ( 3.779 -0.000 4.259) 5.693 0.935 ( 0.230 -0.000 -0.392) 0.454 0.979 ( 4.846 -0.000 3.269) 5.846 1.061 ( 2.467 -0.000 3.902) 4.616 1.086 ( -0.271 0.000 -0.118) 0.296 1.197 ( 0.332 -0.000 -1.625) 1.659 1.230 ( -4.641 0.000 -1.809) 4.981 1.346 ( 0.623 -0.000 -3.136) 3.197 1.496 ( -2.970 0.000 -2.527) 3.900 1.546 ( 0.492 -0.000 0.646) 0.812 1.682 ( -1.432 0.000 -8.490) 8.610 1.736 ( 0.391 -0.000 0.015) 0.391 1.836 ( -0.276 0.000 -0.076) 0.286 1.885 ( 1.196 -0.000 2.926) 3.161 2.039 ( -2.198 0.000 0.117) 2.201 2.051 ( 0.105 -0.000 0.029) 0.110 2.329 ( -0.502 0.000 -0.562) 0.753 2.355 ( 0.352 -0.000 0.248) 0.431 2.512 ( 0.461 -0.000 0.554) 0.721 2.523 ( 0.537 -0.000 -2.370) 2.430 2.650 ( -0.467 0.000 -0.981) 1.086 2.763 ( -0.066 0.000 0.050) 0.083 2.771 ( -0.064 0.000 0.047) 0.080 2.788 ( 0.230 -0.000 -0.019) 0.231 3.030 ( -2.507 0.000 0.515) 2.559 3.085 ( 2.121 -0.000 -1.263) 2.468 3.229 ( -0.010 0.000 0.034) 0.036 3.260 ( 2.199 -0.000 4.487) 4.996 3.276 ( -0.124 0.000 0.455) 0.472 3.298 ( -2.458 0.000 0.462) 2.501 3.332 ( 0.158 -0.000 -0.386) 0.417 3.348 ( -0.020 0.000 -0.115) 0.117 3.543 ( 2.497 -0.000 0.530) 2.553 3.561 ( -0.417 0.000 -1.973) 2.016 3.814 ( 0.959 -0.000 3.209) 3.350 3.926 ( -3.493 0.000 4.357) 5.584 4.052 ( 1.575 -0.000 -7.964) 8.119 4.422 ( -0.143 0.000 -1.313) 1.320 4.635 ( -0.582 0.000 2.764) 2.824 4.682 ( -1.386 0.000 -0.266) 1.411 4.795 ( 1.672 -0.000 -1.617) 2.325 5.302 ( 1.642 -0.000 2.378) 2.890 5.403 ( -0.547 0.000 -1.011) 1.150 9.248 ( -0.009 0.000 -0.072) 0.072 9.461 ( 0.008 -0.000 0.068) 0.068 15.235 ( 8.873 -0.000 2.672) 9.267 15.678 ( -3.131 0.000 -3.855) 4.967 16.952 ( 3.442 -0.000 0.964) 3.575 17.116 ( -10.081 0.000 0.461) 10.092 ======================= Grid point 296 (123/199) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -2.199 -6.299 7.902) 10.342 0.630 ( 1.089 -11.961 6.486) 13.650 0.870 ( -0.115 -4.030 1.527) 4.312 0.951 ( 2.373 1.899 -2.876) 4.185 0.965 ( -0.148 -2.172 -5.375) 5.799 1.102 ( -0.806 -4.405 1.398) 4.692 1.211 ( -0.303 -8.342 2.029) 8.590 1.273 ( 0.944 -6.107 -0.957) 6.253 1.281 ( 0.310 -4.251 -0.231) 4.269 1.382 ( 0.935 -4.474 2.001) 4.989 1.473 ( -2.394 -0.283 -0.434) 2.449 1.518 ( 0.096 3.042 0.506) 3.085 1.614 ( 1.379 -2.565 -5.072) 5.849 1.855 ( 0.054 0.300 2.317) 2.337 1.902 ( -0.389 -5.483 -2.667) 6.109 1.964 ( 0.524 -9.265 0.729) 9.309 2.024 ( -1.133 -5.195 1.164) 5.443 2.176 ( -0.742 -8.588 -0.911) 8.668 2.333 ( 0.285 -1.661 0.267) 1.707 2.493 ( -2.151 -2.077 0.511) 3.033 2.500 ( -0.296 -3.784 -0.785) 3.876 2.543 ( 2.205 -1.879 -3.076) 4.225 2.702 ( -0.130 2.340 -1.048) 2.568 2.773 ( 0.217 -7.531 -0.562) 7.555 2.839 ( -0.232 -5.192 -0.531) 5.225 2.930 ( 1.291 -5.976 2.577) 6.634 3.016 ( -1.616 -1.118 -2.766) 3.393 3.084 ( 0.361 -5.112 -0.545) 5.153 3.234 ( 0.052 1.338 2.992) 3.278 3.276 ( 0.508 0.792 1.213) 1.535 3.307 ( -1.950 -1.979 -2.297) 3.605 3.413 ( 1.095 -6.713 -0.861) 6.856 3.440 ( 0.413 -6.981 -0.047) 6.993 3.475 ( -0.618 -14.215 0.460) 14.236 3.547 ( 1.625 -1.352 -0.614) 2.202 3.656 ( 0.347 -9.144 0.630) 9.172 3.796 ( 0.670 1.902 2.897) 3.530 3.888 ( -3.838 2.921 2.035) 5.235 3.998 ( 0.975 3.054 -7.142) 7.828 4.409 ( 0.640 1.118 -0.830) 1.533 4.580 ( -1.224 4.917 1.800) 5.377 4.616 ( -0.115 6.111 0.070) 6.112 4.727 ( 0.653 6.259 -0.201) 6.296 5.191 ( 0.315 8.962 0.611) 8.988 5.351 ( -0.176 4.209 0.484) 4.240 9.700 ( -0.294 -34.067 -1.083) 34.086 9.813 ( -0.213 -29.852 -3.688) 30.080 15.120 ( 4.041 12.464 0.962) 13.138 15.527 ( -0.242 12.988 -2.012) 13.145 16.663 ( -6.344 20.138 3.762) 21.447 16.927 ( 2.013 14.262 2.910) 14.694 ======================= Grid point 297 (124/199) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -1.603 -14.020 4.505) 14.813 0.828 ( 2.858 -8.650 5.769) 10.783 0.944 ( 0.113 -0.913 -0.642) 1.122 0.984 ( -2.975 -7.578 -4.577) 9.339 1.057 ( 1.788 -7.247 -4.655) 8.797 1.239 ( -0.449 -5.184 0.834) 5.270 1.285 ( -0.078 -1.502 -1.453) 2.091 1.373 ( -3.263 -1.911 1.549) 4.086 1.409 ( -0.022 -7.448 -0.100) 7.448 1.480 ( 0.783 -3.225 -2.909) 4.413 1.519 ( 3.227 -6.149 0.018) 6.944 1.584 ( 0.163 -11.469 2.928) 11.838 1.762 ( -0.184 -9.646 0.607) 9.667 1.833 ( -0.161 1.699 1.850) 2.517 1.930 ( -0.998 -0.640 0.325) 1.229 2.170 ( 0.540 -9.717 -0.159) 9.733 2.220 ( 1.021 -9.363 -0.621) 9.439 2.316 ( -1.690 -5.968 -0.047) 6.203 2.411 ( 1.398 -5.106 -0.286) 5.301 2.503 ( -0.945 -2.536 -0.930) 2.862 2.564 ( -2.211 -2.834 -0.142) 3.597 2.585 ( 1.690 0.109 1.015) 1.974 2.663 ( 0.808 0.756 -2.388) 2.632 2.876 ( -0.604 -0.195 -0.708) 0.951 2.939 ( 0.535 -8.702 -0.657) 8.743 2.990 ( -0.082 0.145 -0.931) 0.945 3.080 ( 1.241 -5.843 0.975) 6.053 3.222 ( -1.743 -0.990 0.980) 2.232 3.258 ( 0.041 0.627 0.601) 0.870 3.277 ( -0.361 -9.196 0.456) 9.214 3.341 ( -1.296 -2.406 -1.150) 2.965 3.488 ( 3.469 0.059 -1.520) 3.787 3.555 ( 0.091 -3.739 -0.342) 3.756 3.597 ( 0.487 -6.400 0.181) 6.421 3.718 ( -1.291 3.621 2.703) 4.700 3.773 ( 0.211 -0.268 1.403) 1.444 3.805 ( -0.527 -13.076 4.378) 13.800 3.888 ( -3.030 -3.218 -3.183) 5.447 4.009 ( 1.476 -5.930 -5.212) 8.032 4.385 ( 0.372 1.870 0.138) 1.912 4.439 ( -0.693 9.205 -0.069) 9.231 4.465 ( 1.507 7.275 -0.328) 7.436 4.589 ( -1.026 6.549 0.976) 6.700 5.034 ( 0.105 6.161 -0.301) 6.169 5.253 ( -0.152 5.189 0.871) 5.263 10.311 ( -0.891 -25.508 3.659) 25.785 10.462 ( -0.346 -32.902 -5.709) 33.395 14.845 ( 1.155 14.686 0.045) 14.732 15.212 ( 0.511 17.405 -0.325) 17.415 16.322 ( -2.117 12.319 2.447) 12.737 16.638 ( 0.838 13.793 0.537) 13.828 ======================= Grid point 298 (125/199) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.081 0.690 1.544) 1.694 1.033 ( 0.152 -10.904 -0.368) 10.911 1.081 ( -0.824 -13.685 1.373) 13.778 1.163 ( 0.485 -8.832 0.117) 8.847 1.209 ( 1.681 -6.325 -3.939) 7.638 1.312 ( -3.060 -3.843 1.146) 5.045 1.336 ( 1.931 -6.140 0.437) 6.451 1.401 ( -2.687 -3.130 0.804) 4.203 1.518 ( 3.411 -2.408 -0.215) 4.181 1.569 ( -0.974 -6.777 -3.171) 7.545 1.685 ( -0.667 -7.716 -0.633) 7.771 1.771 ( -2.591 0.774 -1.018) 2.889 1.810 ( 2.003 -4.891 2.571) 5.877 1.933 ( -1.592 -4.319 0.943) 4.699 1.963 ( 2.052 -4.651 2.785) 5.797 2.306 ( 0.388 -3.053 0.597) 3.135 2.349 ( 0.321 -5.618 -1.290) 5.774 2.436 ( 0.062 -4.153 0.341) 4.168 2.467 ( 0.359 -1.309 -1.834) 2.282 2.538 ( 0.568 2.459 1.170) 2.782 2.601 ( -1.946 -2.441 -3.074) 4.381 2.653 ( 1.490 -8.244 2.108) 8.639 2.702 ( 1.177 -4.640 -1.604) 5.049 2.889 ( -0.461 -1.573 0.244) 1.658 2.953 ( -0.382 2.483 -1.177) 2.775 3.115 ( -0.051 -7.537 0.148) 7.538 3.178 ( 1.212 -3.793 -1.429) 4.230 3.228 ( -1.438 0.563 0.585) 1.652 3.282 ( 0.282 -3.101 1.505) 3.459 3.382 ( -1.621 -1.849 0.458) 2.501 3.428 ( -0.579 -6.704 0.223) 6.733 3.523 ( 2.155 -2.543 -0.426) 3.360 3.590 ( -0.065 -0.893 -0.823) 1.216 3.629 ( -0.780 2.875 1.005) 3.144 3.707 ( 0.412 -3.621 -0.053) 3.645 3.811 ( -0.098 -2.394 -0.067) 2.397 3.876 ( -0.713 1.757 0.350) 1.929 4.024 ( 0.087 -5.641 0.011) 5.642 4.131 ( -0.490 -0.220 0.922) 1.067 4.227 ( -1.531 4.179 0.763) 4.516 4.364 ( 2.239 1.918 -2.781) 4.053 4.389 ( 1.167 0.004 -0.836) 1.435 4.481 ( -1.854 3.665 1.370) 4.330 4.942 ( 0.245 3.490 -0.219) 3.505 5.159 ( -0.067 4.127 0.662) 4.180 10.745 ( 0.805 -18.755 1.428) 18.826 11.051 ( -2.483 -26.392 -1.699) 26.563 14.569 ( 0.648 13.105 -0.408) 13.127 14.862 ( 0.555 17.424 0.227) 17.434 16.144 ( -0.129 5.685 0.789) 5.741 16.411 ( -0.302 8.972 -0.024) 8.977 ======================= Grid point 299 (126/199) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.049 2.257 0.288) 2.276 1.203 ( -0.519 -0.735 -0.004) 0.900 1.235 ( 0.811 -7.914 -1.283) 8.058 1.275 ( -0.411 -3.357 0.504) 3.419 1.396 ( -2.832 -6.440 0.108) 7.036 1.417 ( 0.305 -10.217 -1.834) 10.385 1.480 ( 1.659 -7.109 2.439) 7.696 1.549 ( 0.163 -9.374 -1.052) 9.435 1.567 ( 3.031 -2.240 0.853) 3.865 1.650 ( -5.307 -1.699 -2.786) 6.230 1.741 ( 2.182 -2.211 1.814) 3.597 1.814 ( -2.623 -2.859 -0.700) 3.942 1.871 ( 2.215 -2.029 0.341) 3.023 1.954 ( 0.166 0.318 0.379) 0.522 2.076 ( 0.944 -3.960 2.652) 4.858 2.315 ( 0.735 1.489 0.110) 1.664 2.364 ( 0.368 4.676 -0.959) 4.787 2.489 ( 1.134 1.365 -1.976) 2.656 2.522 ( 1.126 -5.386 0.020) 5.503 2.549 ( -0.142 -5.310 0.017) 5.312 2.642 ( -1.280 -1.635 -1.051) 2.328 2.744 ( -0.631 -1.578 0.225) 1.714 2.805 ( 2.905 -0.605 0.305) 2.983 2.902 ( 0.252 0.900 -1.247) 1.558 2.993 ( -0.957 -9.577 -0.365) 9.632 3.189 ( -1.358 2.346 -0.036) 2.711 3.227 ( -0.106 -2.844 0.693) 2.930 3.270 ( 0.717 -5.164 -0.852) 5.283 3.355 ( 0.152 -3.971 1.495) 4.246 3.401 ( -1.987 -1.380 1.345) 2.768 3.523 ( -2.403 -1.742 -1.109) 3.168 3.590 ( 1.839 -1.942 -1.586) 3.109 3.612 ( 0.090 -2.500 2.068) 3.246 3.635 ( 0.005 -4.599 -0.415) 4.617 3.761 ( -0.028 -1.983 -0.426) 2.028 3.812 ( -0.017 4.263 -0.095) 4.264 3.842 ( 0.040 -0.209 -0.072) 0.224 3.993 ( 0.125 6.332 0.555) 6.357 4.023 ( -0.135 3.492 0.455) 3.524 4.308 ( -1.207 -5.077 2.199) 5.663 4.392 ( 2.073 -1.884 -2.012) 3.449 4.404 ( -0.184 -1.420 -1.603) 2.149 4.434 ( -1.114 0.519 1.171) 1.697 4.891 ( 0.681 1.600 0.137) 1.744 5.091 ( -0.127 2.779 0.178) 2.788 11.099 ( 2.849 -16.330 0.505) 16.584 11.487 ( -4.861 -18.467 -0.353) 19.099 14.327 ( 0.383 11.108 -0.435) 11.123 14.533 ( 0.878 15.451 0.271) 15.478 16.080 ( 0.144 1.149 0.248) 1.184 16.271 ( -0.263 5.250 -0.077) 5.258 ======================= Grid point 300 (127/199) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.115 1.552 0.005) 1.556 1.203 ( 0.180 0.123 -0.370) 0.429 1.301 ( 0.039 -0.679 0.549) 0.874 1.366 ( -0.480 -4.416 -1.294) 4.627 1.429 ( -2.251 0.443 -1.734) 2.876 1.532 ( 1.371 2.645 -1.023) 3.150 1.583 ( -0.556 -3.846 1.228) 4.075 1.655 ( 0.342 -7.514 2.591) 7.955 1.709 ( -1.035 -6.996 0.173) 7.074 1.757 ( 1.136 -7.268 -0.717) 7.392 1.807 ( 1.445 -2.668 0.455) 3.068 1.815 ( -1.237 -0.580 0.130) 1.372 1.915 ( 0.227 0.150 -0.913) 0.953 1.954 ( 0.445 -0.986 2.222) 2.471 2.110 ( 0.265 1.079 -0.174) 1.125 2.246 ( 0.023 5.007 0.904) 5.088 2.289 ( 0.502 2.341 -0.783) 2.519 2.488 ( 1.549 -1.733 -3.541) 4.236 2.571 ( -0.701 0.408 -1.203) 1.451 2.642 ( -1.508 -3.396 -0.712) 3.783 2.697 ( -0.071 4.002 -2.234) 4.584 2.709 ( 1.586 -5.059 1.699) 5.567 2.767 ( 3.621 3.671 2.420) 5.696 2.967 ( 0.066 -5.322 -1.410) 5.506 3.101 ( -1.008 4.271 -0.953) 4.490 3.193 ( -0.620 -8.243 0.762) 8.302 3.254 ( -0.016 -0.057 0.466) 0.470 3.372 ( -0.814 -4.113 -0.920) 4.293 3.427 ( 0.245 -2.569 1.607) 3.040 3.444 ( -2.356 -3.024 1.745) 4.212 3.527 ( -2.492 -0.453 -1.563) 2.976 3.620 ( 0.101 -1.825 -1.266) 2.223 3.649 ( 0.797 0.539 2.376) 2.564 3.714 ( 0.778 3.766 -0.078) 3.846 3.747 ( 0.686 -4.352 -0.240) 4.413 3.799 ( -0.363 -1.464 -0.267) 1.532 3.814 ( 0.380 2.537 0.145) 2.569 3.926 ( 0.340 0.941 -0.015) 1.001 3.958 ( -0.304 2.544 0.518) 2.614 4.361 ( -0.513 -0.811 0.798) 1.248 4.416 ( 0.064 -0.405 -0.345) 0.536 4.426 ( -0.197 -1.420 -0.012) 1.433 4.451 ( 0.248 -0.829 -0.376) 0.943 4.889 ( 1.238 -1.009 0.612) 1.710 5.041 ( -0.538 2.250 -0.560) 2.381 11.407 ( 4.261 -12.330 0.094) 13.046 11.743 ( -5.866 -8.895 0.122) 10.656 14.140 ( -0.003 7.172 -0.300) 7.178 14.275 ( 1.054 10.048 0.144) 10.104 16.086 ( -0.198 -1.444 0.092) 1.460 16.187 ( 0.205 3.414 -0.053) 3.421 ======================= Grid point 301 (128/199) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.005 -0.009 -0.032) 0.034 1.202 ( 0.140 -0.031 -0.503) 0.523 1.307 ( -0.130 0.025 0.514) 0.531 1.394 ( -0.155 1.827 0.046) 1.834 1.424 ( -0.715 -1.737 -1.863) 2.646 1.487 ( 1.566 2.072 0.761) 2.707 1.611 ( -0.620 -0.297 1.444) 1.599 1.757 ( -0.202 -1.785 1.587) 2.397 1.808 ( -1.214 0.883 -0.720) 1.665 1.817 ( 0.974 -1.383 -0.399) 1.738 1.827 ( -0.469 0.343 0.417) 0.715 1.872 ( 0.642 0.664 0.364) 0.993 1.877 ( 0.300 0.281 -0.894) 0.984 1.994 ( -0.567 -2.199 0.880) 2.435 2.069 ( 0.202 1.247 -0.495) 1.357 2.193 ( -0.098 -0.752 0.394) 0.855 2.244 ( -0.312 1.538 0.980) 1.850 2.544 ( 0.043 1.982 -2.501) 3.191 2.550 ( 1.191 -2.757 -2.939) 4.202 2.604 ( 0.292 1.918 -1.800) 2.646 2.686 ( 1.215 1.128 0.786) 1.835 2.749 ( -2.602 -3.503 -2.237) 4.904 2.812 ( 2.045 -2.193 0.849) 3.116 3.014 ( 0.173 2.540 -0.904) 2.702 3.050 ( 0.112 -1.699 -0.863) 1.909 3.233 ( 0.197 0.821 0.594) 1.032 3.315 ( 0.623 -2.608 3.180) 4.160 3.365 ( -2.689 4.333 -1.538) 5.326 3.459 ( -0.487 1.824 3.163) 3.684 3.475 ( 0.381 -1.017 0.374) 1.149 3.533 ( 0.666 0.734 0.998) 1.406 3.606 ( -0.318 -1.221 0.161) 1.272 3.667 ( -0.153 -1.821 0.528) 1.902 3.680 ( 0.012 1.787 -0.660) 1.905 3.773 ( -0.130 0.151 -0.582) 0.615 3.799 ( 0.374 -0.065 0.214) 0.436 3.823 ( -0.029 -0.623 -0.383) 0.732 3.924 ( -0.095 0.830 0.325) 0.896 3.927 ( 0.013 -0.679 0.036) 0.680 4.365 ( -0.261 0.056 0.918) 0.956 4.418 ( 0.156 0.222 -0.553) 0.616 4.448 ( -0.008 -0.558 0.021) 0.558 4.452 ( 0.055 0.372 -0.142) 0.402 4.927 ( 0.075 -1.661 -0.297) 1.689 4.999 ( 0.059 1.235 -0.291) 1.270 11.555 ( -0.028 0.168 0.092) 0.194 11.815 ( -0.015 -0.198 0.094) 0.220 14.063 ( 0.009 0.130 -0.070) 0.148 14.171 ( 0.020 -0.104 -0.056) 0.120 16.122 ( -0.000 -0.084 -0.000) 0.084 16.133 ( -0.003 0.081 0.012) 0.082 ======================= Grid point 302 (129/199) ======================= q-point: (-0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.093 -1.567 -0.012) 1.570 1.203 ( -0.005 -0.007 -0.399) 0.400 1.301 ( -0.283 0.507 0.561) 0.807 1.353 ( 2.012 3.110 0.538) 3.742 1.420 ( 0.177 1.380 -1.691) 2.189 1.481 ( 1.148 -0.309 3.324) 3.530 1.591 ( -0.591 3.976 0.423) 4.042 1.680 ( 0.376 7.153 0.417) 7.175 1.717 ( -1.247 6.666 0.334) 6.790 1.761 ( 0.227 7.528 -0.795) 7.574 1.785 ( -0.867 2.253 0.781) 2.537 1.855 ( -0.482 -1.170 -2.932) 3.193 1.897 ( 1.223 0.193 0.845) 1.499 2.000 ( -2.599 1.500 -2.130) 3.680 2.085 ( 0.442 -1.795 2.455) 3.073 2.251 ( -0.716 -3.748 0.956) 3.934 2.272 ( 0.026 -3.941 0.250) 3.949 2.485 ( 0.211 1.740 -3.467) 3.885 2.574 ( 1.281 0.213 -1.060) 1.676 2.623 ( 1.428 -0.411 0.853) 1.714 2.690 ( -0.041 -2.467 -1.293) 2.786 2.765 ( -2.599 5.775 -3.831) 7.402 2.820 ( -3.614 -3.438 -3.130) 5.888 2.959 ( 0.831 4.426 -0.558) 4.537 3.093 ( 1.668 -3.703 0.122) 4.063 3.191 ( 0.318 8.926 1.020) 8.989 3.251 ( 0.527 0.386 0.733) 0.982 3.323 ( 1.137 2.423 4.238) 5.013 3.415 ( -0.310 2.315 3.070) 3.857 3.449 ( 0.504 2.981 0.298) 3.038 3.497 ( 2.433 2.632 1.235) 3.791 3.608 ( -0.160 2.546 -0.012) 2.551 3.673 ( -0.690 1.395 0.909) 1.803 3.708 ( -0.836 -4.553 -0.718) 4.685 3.764 ( -0.587 1.915 -1.446) 2.471 3.792 ( 0.704 1.657 0.593) 1.896 3.823 ( -0.460 -1.529 -0.736) 1.758 3.926 ( -0.281 -1.325 0.055) 1.355 3.959 ( 0.013 -2.545 0.445) 2.584 4.359 ( 0.044 0.679 1.019) 1.225 4.404 ( 0.079 1.510 0.584) 1.621 4.437 ( 0.449 0.966 -1.011) 1.468 4.452 ( -0.200 0.332 -0.299) 0.490 4.920 ( -1.915 0.952 -2.500) 3.290 5.023 ( 1.231 -2.548 1.321) 3.123 11.403 ( -4.184 12.456 0.505) 13.149 11.749 ( 5.691 8.717 -0.395) 10.418 14.134 ( 0.076 -6.855 0.226) 6.860 14.279 ( -1.057 -10.317 -0.290) 10.375 16.087 ( 0.157 1.421 0.040) 1.431 16.186 ( -0.183 -3.397 -0.012) 3.402 ======================= Grid point 303 (130/199) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.097 -2.334 0.204) 2.345 1.199 ( 0.445 0.704 0.194) 0.855 1.255 ( -0.341 7.626 -3.044) 8.218 1.281 ( -0.160 2.104 0.041) 2.110 1.365 ( 2.521 5.414 2.332) 6.412 1.404 ( -0.043 11.191 -0.293) 11.195 1.497 ( 0.956 0.444 3.647) 3.797 1.534 ( -1.933 6.847 -2.009) 7.393 1.557 ( -0.655 10.394 -0.190) 10.417 1.641 ( 2.188 2.745 0.902) 3.624 1.738 ( -0.194 3.372 1.565) 3.723 1.818 ( 1.380 4.956 -1.032) 5.247 1.889 ( -1.636 0.019 -1.519) 2.233 1.960 ( -0.449 1.572 -0.039) 1.635 2.094 ( -2.590 1.686 0.759) 3.183 2.311 ( -0.667 -1.930 0.625) 2.136 2.357 ( 0.180 -4.372 -0.722) 4.434 2.487 ( -0.229 -0.802 -1.613) 1.816 2.539 ( -0.342 3.091 -1.753) 3.570 2.567 ( -1.705 9.461 -1.549) 9.737 2.637 ( 1.579 1.188 -0.082) 1.977 2.756 ( 0.684 0.123 -1.196) 1.383 2.790 ( -0.137 1.778 0.954) 2.022 2.909 ( -2.561 3.382 -1.732) 4.582 3.009 ( 0.305 4.953 -1.898) 5.313 3.180 ( 2.204 -2.326 1.082) 3.382 3.235 ( -0.503 2.272 -0.310) 2.348 3.248 ( 0.377 4.941 1.901) 5.308 3.357 ( -0.877 3.279 1.254) 3.618 3.399 ( 1.467 2.011 1.743) 3.039 3.472 ( 4.142 1.315 2.915) 5.233 3.559 ( -1.233 2.476 0.790) 2.877 3.627 ( -0.575 2.461 0.404) 2.560 3.667 ( -0.681 4.407 -2.432) 5.079 3.754 ( 0.417 1.637 0.337) 1.723 3.809 ( 0.124 -3.467 0.186) 3.475 3.846 ( -0.060 0.117 -0.348) 0.372 4.002 ( -0.514 -6.783 -0.311) 6.809 4.023 ( -0.108 -3.425 0.448) 3.456 4.334 ( -1.393 2.238 2.289) 3.492 4.343 ( 1.551 4.826 -0.156) 5.071 4.405 ( 0.364 1.735 -1.293) 2.195 4.455 ( 0.058 -1.034 -0.964) 1.415 4.909 ( -1.130 -0.867 -1.578) 2.126 5.085 ( 0.211 -3.202 0.821) 3.313 11.094 ( -2.877 16.377 0.959) 16.655 11.494 ( 4.777 18.351 -1.002) 18.989 14.314 ( 0.020 -10.595 0.750) 10.621 14.544 ( -1.165 -15.885 -0.727) 15.944 16.082 ( -0.298 -1.252 0.105) 1.292 16.270 ( 0.331 -5.158 0.046) 5.168 ======================= Grid point 304 (131/199) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -1.022 -0.509 1.225) 1.675 1.033 ( -0.173 12.473 -0.646) 12.491 1.110 ( -0.611 14.266 -0.342) 14.283 1.165 ( -0.080 4.789 0.428) 4.809 1.208 ( -1.155 6.720 -4.904) 8.399 1.293 ( 1.638 2.699 1.685) 3.578 1.357 ( -0.738 6.969 -1.112) 7.096 1.451 ( 2.129 2.368 -3.426) 4.677 1.471 ( -2.527 2.528 2.964) 4.644 1.563 ( 2.195 6.280 -1.172) 6.755 1.652 ( 2.330 6.550 2.877) 7.524 1.739 ( 1.369 2.797 2.045) 3.726 1.848 ( -1.830 3.479 -0.924) 4.038 1.925 ( 0.548 3.297 1.755) 3.775 1.968 ( -2.578 8.540 1.908) 9.123 2.309 ( -0.838 3.701 -0.238) 3.802 2.352 ( 0.013 5.618 -0.947) 5.698 2.432 ( 0.079 0.050 0.688) 0.695 2.460 ( 0.878 3.997 -0.902) 4.190 2.524 ( 0.146 -0.192 0.932) 0.962 2.602 ( -0.093 2.444 -1.610) 2.928 2.680 ( 1.686 3.596 -0.025) 3.972 2.727 ( -4.311 6.606 -4.733) 9.200 2.851 ( 2.132 -0.467 2.293) 3.166 2.988 ( -1.292 -0.373 -2.939) 3.232 3.122 ( -0.376 7.563 -0.585) 7.595 3.150 ( 1.463 4.714 1.372) 5.123 3.228 ( 0.856 -0.634 0.693) 1.271 3.295 ( -1.331 2.729 0.339) 3.055 3.368 ( 2.037 2.509 2.410) 4.032 3.424 ( 1.693 4.590 -0.063) 4.892 3.504 ( -1.865 1.669 0.988) 2.690 3.593 ( 0.328 1.847 -0.516) 1.946 3.639 ( -0.258 -2.254 -0.175) 2.275 3.708 ( -0.413 3.143 -0.146) 3.173 3.811 ( 0.131 2.573 0.036) 2.576 3.865 ( 1.151 -0.722 1.327) 1.899 4.038 ( -0.811 3.389 -1.211) 3.689 4.137 ( -0.219 1.079 0.417) 1.177 4.244 ( 0.540 -3.471 -0.774) 3.597 4.333 ( 0.192 -3.108 0.431) 3.144 4.386 ( -0.121 0.115 -0.705) 0.725 4.497 ( 0.168 -3.331 -0.321) 3.350 4.946 ( -0.345 -3.154 -0.628) 3.234 5.157 ( -0.174 -4.101 0.825) 4.186 10.741 ( -1.224 18.690 1.733) 18.810 11.058 ( 2.842 26.276 -2.363) 26.535 14.544 ( 0.700 -12.049 1.806) 12.204 14.882 ( -1.590 -18.202 -1.561) 18.338 16.149 ( -0.523 -6.037 0.320) 6.068 16.407 ( 0.547 -8.695 0.373) 8.720 ======================= Grid point 305 (132/199) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.834 13.443 5.874) 14.694 0.805 ( -3.169 11.501 3.724) 12.498 0.946 ( -0.300 1.169 -1.177) 1.686 1.029 ( 1.164 7.829 -2.366) 8.262 1.075 ( -3.085 5.260 -9.466) 11.260 1.240 ( -0.180 4.918 1.308) 5.092 1.274 ( 2.091 2.199 -0.883) 3.160 1.367 ( 2.006 7.131 1.778) 7.618 1.437 ( -2.211 5.359 0.110) 5.798 1.448 ( 3.766 1.775 -2.489) 4.851 1.509 ( -1.309 5.874 1.675) 6.247 1.584 ( -1.570 10.299 1.920) 10.593 1.750 ( 1.265 8.846 2.044) 9.167 1.820 ( 0.492 -0.983 2.908) 3.109 1.930 ( 0.711 0.021 0.504) 0.872 2.165 ( -0.001 9.606 0.011) 9.606 2.219 ( -0.373 9.498 -0.147) 9.507 2.337 ( -0.403 6.281 -2.102) 6.636 2.400 ( -0.172 4.209 0.793) 4.286 2.511 ( 0.561 1.432 -1.765) 2.341 2.571 ( 0.044 -0.316 -0.405) 0.515 2.604 ( -2.456 4.170 -0.764) 4.900 2.674 ( -1.324 -0.922 -3.909) 4.228 2.848 ( 3.365 1.467 1.556) 3.987 2.945 ( -0.272 7.119 -0.915) 7.183 2.991 ( 0.618 2.698 -0.635) 2.840 3.060 ( 0.602 4.007 2.664) 4.849 3.225 ( 0.767 2.448 0.946) 2.735 3.244 ( 1.082 1.957 1.290) 2.582 3.297 ( -1.601 4.776 -1.362) 5.218 3.369 ( -0.960 1.050 -3.263) 3.560 3.458 ( 0.122 1.582 1.514) 2.194 3.553 ( 0.248 3.381 -0.165) 3.394 3.598 ( -0.631 6.444 0.101) 6.475 3.707 ( 1.224 -1.153 3.095) 3.523 3.770 ( -0.590 1.109 1.806) 2.200 3.785 ( 0.917 9.819 4.313) 10.764 3.943 ( -1.939 3.501 -6.092) 7.289 3.998 ( 2.350 5.505 -4.261) 7.347 4.390 ( -1.066 -1.151 -0.393) 1.617 4.445 ( 0.950 -9.279 -0.547) 9.343 4.456 ( -1.174 -8.754 0.530) 8.848 4.591 ( 0.354 -5.854 0.786) 5.917 5.034 ( 0.133 -5.928 -0.233) 5.935 5.251 ( 0.008 -5.129 1.137) 5.253 10.311 ( -0.762 25.383 3.542) 25.641 10.470 ( 2.194 32.628 -6.361) 33.314 14.802 ( 3.061 -12.805 3.912) 13.735 15.242 ( -3.279 -18.386 -2.947) 18.907 16.336 ( -0.463 -13.174 1.128) 13.230 16.629 ( -0.173 -13.427 1.419) 13.502 ======================= Grid point 306 (133/199) ======================= q-point: (-0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 0.224 6.799 8.727) 11.065 0.624 ( -2.592 9.877 6.569) 12.142 0.869 ( -1.060 6.766 2.765) 7.385 0.934 ( 4.424 0.674 -4.147) 6.101 0.971 ( 0.479 1.151 -2.885) 3.143 1.102 ( 0.086 6.353 1.493) 6.526 1.211 ( -0.469 6.287 0.822) 6.358 1.260 ( 1.420 4.605 0.368) 4.833 1.288 ( -0.681 5.584 -0.229) 5.630 1.369 ( 1.755 3.515 0.681) 3.987 1.488 ( -1.388 -0.324 -0.855) 1.662 1.526 ( -2.657 -3.015 0.402) 4.038 1.618 ( 0.034 2.366 -5.261) 5.768 1.848 ( 0.589 -0.764 3.218) 3.359 1.909 ( -0.007 5.402 -3.204) 6.281 1.959 ( 0.365 9.597 0.754) 9.633 2.029 ( -0.613 4.802 0.937) 4.931 2.183 ( -0.698 8.639 -1.665) 8.825 2.332 ( -0.144 1.493 0.336) 1.537 2.494 ( 0.070 6.390 0.492) 6.409 2.516 ( -1.332 -0.229 -1.543) 2.051 2.538 ( 0.170 2.220 -3.467) 4.121 2.706 ( -0.431 -2.394 -1.411) 2.813 2.768 ( 1.465 7.070 -0.202) 7.223 2.837 ( 0.730 5.216 -0.403) 5.283 2.913 ( 2.016 5.448 3.461) 6.762 3.028 ( -0.193 -0.111 -2.766) 2.775 3.090 ( -1.562 6.670 -1.305) 6.974 3.218 ( 2.335 -0.747 3.641) 4.390 3.278 ( -1.002 -0.674 0.369) 1.263 3.329 ( -2.869 2.223 -2.659) 4.499 3.407 ( 0.870 5.878 -0.412) 5.956 3.438 ( 0.143 7.228 0.168) 7.231 3.477 ( -0.240 13.017 0.503) 13.029 3.534 ( 1.995 2.629 0.587) 3.352 3.650 ( 0.864 8.461 1.365) 8.614 3.783 ( 1.243 -1.880 3.149) 3.872 3.914 ( -3.767 -2.088 -0.965) 4.414 3.999 ( 2.137 -3.190 -6.404) 7.467 4.411 ( -0.841 -1.177 -1.046) 1.785 4.579 ( 0.337 -4.981 1.772) 5.298 4.624 ( -1.718 -6.317 -0.585) 6.572 4.720 ( 1.079 -5.979 0.450) 6.093 5.185 ( 0.906 -8.469 1.147) 8.594 5.352 ( -0.083 -4.436 0.537) 4.469 9.703 ( 0.003 33.788 -1.245) 33.811 9.818 ( 0.983 30.212 -4.398) 30.546 15.072 ( 7.499 -11.091 5.598) 14.512 15.553 ( -5.035 -13.256 -4.134) 14.771 16.679 ( 0.681 -19.956 1.790) 20.048 16.927 ( -3.780 -15.829 3.132) 16.572 ======================= Grid point 308 (134/199) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 2.548 -0.000 4.956) 5.573 0.510 ( -4.986 0.000 9.486) 10.717 0.891 ( 3.923 -0.000 -1.418) 4.171 0.931 ( -1.208 0.000 -0.257) 1.235 0.997 ( -0.750 0.000 -0.462) 0.881 1.081 ( -0.311 0.000 3.144) 3.159 1.082 ( -0.688 0.000 -0.143) 0.703 1.196 ( 0.128 -0.000 -1.571) 1.576 1.221 ( 4.141 -0.000 2.963) 5.092 1.342 ( -0.349 0.000 -2.407) 2.432 1.473 ( -2.575 0.000 -1.185) 2.834 1.555 ( 1.312 -0.000 1.185) 1.768 1.666 ( 0.668 -0.000 -7.180) 7.211 1.741 ( 1.112 -0.000 -0.243) 1.138 1.833 ( -0.647 0.000 0.126) 0.659 1.898 ( 1.300 -0.000 1.783) 2.207 2.017 ( -4.291 0.000 1.633) 4.591 2.051 ( -0.114 0.000 -0.056) 0.127 2.327 ( 0.221 -0.000 -0.076) 0.234 2.363 ( 1.619 -0.000 -0.114) 1.623 2.514 ( 0.094 -0.000 0.101) 0.138 2.523 ( 0.411 -0.000 -2.364) 2.400 2.641 ( -1.716 0.000 -0.316) 1.745 2.760 ( -0.524 0.000 0.100) 0.533 2.773 ( 0.484 -0.000 0.079) 0.491 2.790 ( 0.376 -0.000 -0.202) 0.427 3.011 ( -3.059 0.000 1.066) 3.239 3.097 ( 1.901 -0.000 -1.419) 2.372 3.229 ( 0.051 -0.000 0.036) 0.062 3.273 ( -1.279 0.000 2.210) 2.553 3.275 ( -0.181 0.000 0.458) 0.492 3.292 ( 1.336 -0.000 1.944) 2.359 3.333 ( 0.229 -0.000 -0.423) 0.481 3.347 ( -0.094 0.000 -0.082) 0.125 3.554 ( -0.456 0.000 -1.882) 1.937 3.562 ( 2.575 -0.000 -0.873) 2.719 3.818 ( -1.088 0.000 1.834) 2.133 3.919 ( -1.460 0.000 7.144) 7.292 4.041 ( -0.743 0.000 -8.334) 8.367 4.425 ( 1.553 -0.000 -1.002) 1.848 4.626 ( -2.758 0.000 2.354) 3.626 4.681 ( 0.730 -0.000 0.932) 1.184 4.802 ( 1.267 -0.000 -2.326) 2.649 5.312 ( 0.171 -0.000 0.790) 0.808 5.398 ( -0.524 0.000 -0.452) 0.692 9.251 ( 0.906 -0.000 -0.053) 0.907 9.458 ( -0.892 0.000 0.051) 0.893 15.269 ( 0.759 -0.000 -4.756) 4.816 15.681 ( 5.396 -0.000 -1.019) 5.491 16.902 ( -14.967 0.000 0.321) 14.971 17.116 ( 6.002 -0.000 6.471) 8.826 ======================= Grid point 309 (135/199) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -2.526 -6.619 7.414) 10.255 0.656 ( 3.380 -13.187 4.449) 14.322 0.867 ( -1.752 -1.405 0.012) 2.245 0.948 ( -1.105 -1.524 -2.334) 2.999 0.965 ( 2.338 1.331 -4.664) 5.384 1.094 ( -1.856 -5.278 -0.028) 5.595 1.212 ( -0.516 -7.945 2.082) 8.230 1.264 ( -1.062 -6.098 -2.124) 6.544 1.299 ( 3.147 -2.824 0.126) 4.230 1.383 ( -1.407 -3.847 0.601) 4.140 1.464 ( -0.145 -1.588 3.331) 3.693 1.527 ( 1.927 1.610 1.219) 2.791 1.617 ( 1.818 -1.763 -5.450) 6.010 1.856 ( -0.427 -0.149 1.375) 1.448 1.894 ( -1.021 -4.615 -1.533) 4.969 1.969 ( 0.623 -8.940 0.252) 8.965 2.018 ( -1.225 -6.297 1.387) 6.563 2.171 ( -0.361 -8.773 -0.010) 8.780 2.337 ( 0.664 -1.816 0.059) 1.935 2.473 ( -2.794 0.390 -0.038) 2.822 2.505 ( 0.991 -5.708 0.303) 5.801 2.555 ( 2.430 -1.758 -2.364) 3.818 2.700 ( -0.184 1.787 -0.738) 1.942 2.770 ( -0.695 -7.529 -0.912) 7.616 2.832 ( -1.129 -4.903 -0.761) 5.088 2.938 ( 0.006 -6.905 0.545) 6.926 3.001 ( -1.404 -2.002 -1.229) 2.737 3.091 ( 1.450 -3.605 0.143) 3.889 3.227 ( -2.742 1.340 0.809) 3.157 3.287 ( 1.302 0.863 0.783) 1.747 3.298 ( -0.068 -1.590 0.827) 1.794 3.419 ( 0.978 -7.082 -0.952) 7.212 3.444 ( 0.856 -7.289 -0.481) 7.355 3.470 ( -0.977 -15.064 0.597) 15.108 3.556 ( 1.460 -0.244 -1.880) 2.393 3.657 ( -0.125 -9.282 -0.019) 9.283 3.797 ( -1.640 1.272 1.111) 2.354 3.872 ( -2.120 4.562 4.293) 6.613 3.991 ( 0.308 2.217 -5.783) 6.201 4.417 ( 1.972 1.229 -0.596) 2.399 4.570 ( -2.087 4.550 1.531) 5.235 4.620 ( 0.746 6.173 0.975) 6.294 4.729 ( 0.270 6.550 -0.828) 6.607 5.191 ( -0.411 9.006 -0.097) 9.016 5.351 ( -0.221 4.096 0.557) 4.139 9.696 ( -0.432 -34.061 -0.786) 34.073 9.803 ( -1.105 -29.501 -2.722) 29.647 15.126 ( -1.519 12.074 -4.673) 13.035 15.546 ( 5.619 14.141 0.953) 15.246 16.613 ( -9.181 17.107 4.799) 19.999 16.957 ( 4.457 15.713 3.435) 16.690 ======================= Grid point 310 (136/199) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.586 -13.847 4.825) 14.675 0.853 ( 1.920 -7.702 1.027) 8.004 0.941 ( -0.977 -1.805 2.072) 2.916 0.970 ( 0.768 -7.893 -1.938) 8.164 1.062 ( 1.604 -7.091 -3.146) 7.922 1.237 ( -0.385 -5.306 0.491) 5.343 1.275 ( -2.418 -1.617 -1.737) 3.388 1.353 ( -2.276 -1.522 0.204) 2.745 1.409 ( -0.101 -7.309 -0.601) 7.334 1.477 ( -0.445 -6.511 -1.458) 6.687 1.543 ( 3.226 -3.345 -1.330) 4.834 1.594 ( 1.502 -10.195 3.181) 10.785 1.759 ( -0.764 -10.018 0.097) 10.048 1.832 ( -0.822 1.555 0.993) 2.020 1.920 ( -1.921 -1.022 0.314) 2.198 2.173 ( 0.605 -9.883 -0.626) 9.921 2.229 ( 1.556 -10.051 -0.601) 10.188 2.306 ( -1.336 -4.786 1.132) 5.096 2.421 ( 1.598 -5.235 -0.869) 5.542 2.494 ( -1.331 -3.347 -0.570) 3.647 2.551 ( -1.520 -2.076 0.538) 2.629 2.603 ( 2.643 0.055 2.310) 3.511 2.667 ( 1.103 0.535 -2.225) 2.540 2.860 ( -2.809 -1.241 -2.553) 3.994 2.945 ( 1.127 -8.220 -0.156) 8.298 2.988 ( -0.138 0.217 -0.755) 0.797 3.090 ( 1.395 -5.725 -0.079) 5.893 3.211 ( -1.938 -1.182 0.799) 2.407 3.249 ( -2.325 -4.443 -0.781) 5.075 3.283 ( 1.163 -3.890 1.747) 4.421 3.333 ( -0.663 -2.048 0.359) 2.183 3.510 ( 3.458 -0.121 -2.453) 4.241 3.556 ( 0.496 -3.442 -0.348) 3.495 3.603 ( 0.999 -6.468 0.078) 6.546 3.710 ( -2.093 3.349 1.929) 4.395 3.774 ( -1.090 -0.694 2.719) 3.011 3.805 ( -1.006 -12.729 1.380) 12.843 3.867 ( -1.836 -3.897 -0.811) 4.384 4.010 ( 1.062 -5.628 -4.435) 7.244 4.390 ( 0.843 2.978 0.482) 3.132 4.436 ( -0.335 8.108 0.110) 8.116 4.476 ( 1.705 7.064 -0.650) 7.296 4.582 ( -1.607 6.936 0.958) 7.184 5.035 ( 0.078 6.070 -0.355) 6.081 5.253 ( -0.267 5.145 0.730) 5.203 10.311 ( -0.847 -25.853 3.550) 26.110 10.447 ( -1.204 -32.811 -5.020) 33.215 14.844 ( -0.726 14.205 -2.567) 14.453 15.225 ( 2.776 18.258 1.558) 18.534 16.311 ( -2.179 11.170 2.550) 11.663 16.645 ( 0.803 14.696 0.553) 14.729 ======================= Grid point 311 (137/199) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.332 0.934 1.423) 1.734 1.033 ( -0.009 -10.611 0.683) 10.633 1.081 ( 0.143 -13.194 0.525) 13.205 1.170 ( 1.364 -8.681 0.887) 8.833 1.212 ( 0.745 -6.932 -2.930) 7.563 1.293 ( -2.917 -3.450 1.761) 4.849 1.350 ( 1.873 -7.066 -0.812) 7.355 1.387 ( -1.526 -3.422 0.942) 3.864 1.540 ( 2.290 -3.253 0.836) 4.065 1.552 ( -1.571 -4.920 -4.745) 7.013 1.675 ( -1.792 -6.761 -1.548) 7.164 1.753 ( -1.964 -1.554 -0.987) 2.692 1.829 ( 1.764 -3.655 2.922) 5.001 1.923 ( -1.608 -3.261 0.630) 3.690 1.983 ( 2.275 -6.804 2.820) 7.709 2.311 ( 0.571 -2.514 0.630) 2.654 2.349 ( 0.487 -5.714 -0.999) 5.821 2.437 ( 0.195 -5.415 -0.013) 5.419 2.465 ( 0.051 -0.497 -1.926) 1.990 2.544 ( 0.545 2.165 0.566) 2.303 2.582 ( -1.800 -3.330 -1.951) 4.258 2.670 ( 1.564 -5.126 2.135) 5.769 2.711 ( 2.280 -6.616 -0.779) 7.041 2.878 ( -1.951 -1.648 -2.107) 3.311 2.954 ( 0.586 2.422 1.053) 2.706 3.116 ( 0.067 -7.312 0.251) 7.317 3.183 ( 1.006 -3.881 -2.202) 4.574 3.219 ( -1.446 0.586 0.412) 1.613 3.288 ( 0.500 -2.929 1.808) 3.478 3.371 ( -1.699 -1.868 -0.040) 2.525 3.419 ( -2.044 -6.863 -0.483) 7.177 3.538 ( 2.403 -1.946 -0.177) 3.098 3.589 ( 0.056 -0.810 -0.693) 1.067 3.625 ( -0.800 2.691 1.200) 3.053 3.711 ( 0.626 -3.464 -0.150) 3.523 3.810 ( -0.179 -2.488 -0.007) 2.494 3.869 ( -1.281 1.450 -0.177) 1.943 4.027 ( 0.549 -5.667 0.582) 5.723 4.130 ( -0.521 -1.381 1.082) 1.830 4.218 ( -1.203 5.281 0.549) 5.444 4.371 ( 1.006 1.321 -2.553) 3.045 4.400 ( 2.420 0.837 -1.366) 2.902 4.469 ( -2.308 3.540 1.868) 4.621 4.944 ( 0.428 3.378 -0.068) 3.406 5.159 ( -0.078 4.108 0.610) 4.154 10.755 ( 1.414 -19.304 1.299) 19.400 11.026 ( -3.625 -25.868 -1.404) 26.158 14.570 ( 0.141 12.893 -1.376) 12.967 14.870 ( 1.353 17.705 1.025) 17.786 16.146 ( 0.089 5.493 0.771) 5.548 16.408 ( -0.581 9.078 -0.002) 9.097 ======================= Grid point 312 (138/199) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.029 2.388 0.272) 2.404 1.198 ( -1.006 -2.058 0.173) 2.297 1.242 ( 1.425 -6.461 -1.025) 6.695 1.273 ( -0.494 -3.360 0.885) 3.510 1.373 ( -2.764 -5.559 -0.528) 6.231 1.423 ( 1.689 -10.440 -1.735) 10.717 1.492 ( 0.690 -7.641 2.515) 8.074 1.548 ( 0.227 -8.095 -1.603) 8.256 1.580 ( -1.096 -2.099 -3.006) 3.827 1.618 ( -1.054 -3.387 0.990) 3.683 1.753 ( 0.249 -3.265 0.766) 3.363 1.796 ( -1.869 -2.413 0.283) 3.066 1.886 ( 1.969 -1.747 0.328) 2.653 1.957 ( 0.439 -0.385 0.374) 0.693 2.089 ( 1.398 -2.803 3.039) 4.364 2.322 ( 1.109 1.302 -0.262) 1.731 2.364 ( 0.138 4.737 -0.914) 4.826 2.494 ( 1.205 0.773 -1.805) 2.305 2.530 ( 0.942 -3.825 -0.038) 3.939 2.551 ( 0.623 -6.322 1.046) 6.438 2.631 ( -1.434 -1.881 -0.877) 2.523 2.743 ( 0.020 -1.605 0.192) 1.617 2.823 ( 2.194 -0.926 -0.826) 2.520 2.903 ( 0.876 1.301 -0.403) 1.619 2.986 ( -0.910 -9.872 0.236) 9.916 3.178 ( -1.574 2.418 -0.416) 2.915 3.226 ( -0.442 -2.887 0.837) 3.039 3.273 ( 0.729 -5.044 -1.163) 5.228 3.359 ( 0.233 -3.878 1.417) 4.135 3.390 ( -1.828 -1.312 0.966) 2.449 3.496 ( -4.178 -1.547 -2.803) 5.263 3.596 ( 0.974 -0.493 -1.692) 2.013 3.620 ( 0.756 -2.917 2.504) 3.918 3.637 ( 0.640 -5.608 0.287) 5.652 3.760 ( -0.089 -1.634 -0.632) 1.754 3.811 ( -0.162 3.778 -0.172) 3.785 3.843 ( 0.104 -0.306 0.016) 0.324 3.996 ( 0.377 6.240 0.690) 6.289 4.022 ( -0.180 3.716 0.477) 3.750 4.304 ( -0.879 -5.378 1.841) 5.751 4.396 ( -0.411 -1.810 -2.090) 2.795 4.405 ( 1.556 -0.607 -0.968) 1.930 4.429 ( -0.801 -0.177 0.981) 1.279 4.898 ( 1.125 1.364 0.582) 1.862 5.090 ( -0.267 2.957 0.028) 2.970 11.124 ( 4.071 -16.917 0.384) 17.405 11.447 ( -6.346 -17.960 -0.173) 19.049 14.328 ( 0.189 11.158 -0.770) 11.186 14.541 ( 1.216 15.437 0.553) 15.495 16.082 ( 0.224 1.275 0.230) 1.315 16.269 ( -0.349 5.064 -0.057) 5.076 ======================= Grid point 313 (139/199) ======================= q-point: ( 0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.101 1.539 0.030) 1.543 1.204 ( 0.158 0.084 -0.315) 0.362 1.302 ( 0.081 -0.622 0.492) 0.797 1.358 ( -1.147 -4.352 -1.470) 4.735 1.415 ( -0.936 0.095 -1.203) 1.527 1.529 ( -1.119 1.644 -2.867) 3.489 1.584 ( 0.104 -3.575 1.590) 3.915 1.663 ( 0.535 -7.234 2.012) 7.528 1.705 ( -0.082 -7.159 0.935) 7.220 1.765 ( 1.132 -7.128 -0.331) 7.225 1.804 ( -1.739 -2.003 0.251) 2.664 1.818 ( 1.344 -1.359 0.841) 2.088 1.914 ( 0.052 0.497 -1.384) 1.471 1.966 ( 1.651 -0.842 3.116) 3.626 2.110 ( -0.093 1.262 -0.680) 1.436 2.248 ( 0.189 5.038 0.911) 5.124 2.290 ( 0.096 2.769 -1.105) 2.983 2.493 ( 1.411 -1.609 -3.421) 4.035 2.565 ( -0.591 0.390 -1.174) 1.371 2.629 ( -1.624 -2.345 -0.719) 2.942 2.694 ( 0.215 3.788 -1.888) 4.238 2.728 ( 2.689 -5.101 2.471) 6.273 2.799 ( 3.825 3.280 2.980) 5.854 2.965 ( -0.176 -5.391 -1.630) 5.634 3.092 ( -1.063 4.145 -1.043) 4.404 3.190 ( -0.415 -8.483 0.659) 8.519 3.252 ( -0.746 -0.469 0.241) 0.914 3.362 ( -1.307 -2.742 -1.585) 3.426 3.428 ( -1.898 -3.110 1.146) 3.819 3.434 ( -0.169 -2.735 1.678) 3.214 3.505 ( -2.719 -1.670 -2.022) 3.777 3.619 ( 0.095 -1.757 -0.824) 1.943 3.658 ( 0.661 0.235 2.551) 2.646 3.718 ( 0.661 3.476 -0.531) 3.578 3.753 ( 0.824 -3.551 0.197) 3.650 3.796 ( -0.472 -1.381 -0.507) 1.544 3.818 ( 0.571 2.129 0.367) 2.234 3.929 ( 0.361 1.078 -0.013) 1.137 3.957 ( -0.320 2.505 0.508) 2.576 4.358 ( -0.528 -0.824 0.769) 1.245 4.415 ( -0.287 -0.673 -0.330) 0.803 4.426 ( 0.171 -1.236 -0.038) 1.248 4.452 ( 0.200 -0.814 -0.371) 0.917 4.902 ( 1.834 -0.946 1.232) 2.404 5.034 ( -0.920 2.381 -0.939) 2.720 11.442 ( 5.698 -11.872 -0.025) 13.169 11.697 ( -7.277 -9.742 0.261) 12.162 14.139 ( -0.100 7.200 -0.383) 7.211 14.283 ( 1.124 10.246 0.209) 10.310 16.085 ( -0.181 -1.305 0.084) 1.320 16.188 ( 0.191 3.266 -0.044) 3.271 ======================= Grid point 314 (140/199) ======================= q-point: (-0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.025 -0.049 -0.023) 0.059 1.202 ( 0.118 0.033 -0.518) 0.533 1.307 ( -0.117 0.092 0.519) 0.540 1.396 ( 0.742 0.867 0.433) 1.221 1.418 ( -0.511 -1.730 -1.320) 2.235 1.492 ( -0.007 1.421 -0.476) 1.499 1.611 ( -0.213 -0.201 1.631) 1.657 1.758 ( -0.100 -1.988 1.334) 2.396 1.799 ( -1.247 2.342 0.034) 2.653 1.823 ( 0.642 -1.241 -0.477) 1.476 1.826 ( 0.128 -0.093 0.616) 0.636 1.873 ( -0.063 0.384 -1.025) 1.097 1.879 ( 0.365 0.289 -0.224) 0.517 1.993 ( -0.063 -0.773 1.144) 1.383 2.070 ( 0.201 0.804 -0.547) 0.993 2.194 ( 0.030 -0.313 0.402) 0.510 2.243 ( -0.565 0.861 1.022) 1.451 2.541 ( 0.318 2.228 -2.457) 3.332 2.554 ( 1.153 -3.014 -2.979) 4.392 2.606 ( 1.253 1.353 -1.616) 2.452 2.685 ( -1.610 -1.398 -0.421) 2.173 2.735 ( -0.336 0.304 0.198) 0.495 2.824 ( 1.233 0.306 -0.822) 1.513 3.015 ( 0.423 0.061 -0.838) 0.941 3.049 ( 0.215 -0.491 -0.775) 0.942 3.232 ( -0.674 -0.183 0.346) 0.779 3.328 ( 0.965 -0.742 3.304) 3.521 3.348 ( -1.120 1.367 -0.435) 1.820 3.458 ( -1.170 0.880 2.454) 2.858 3.477 ( -0.070 -0.875 0.401) 0.965 3.537 ( 0.111 -0.789 0.497) 0.939 3.606 ( 0.067 0.236 0.374) 0.447 3.667 ( -0.164 -1.749 0.527) 1.834 3.679 ( 0.118 2.251 -0.586) 2.329 3.772 ( 0.069 0.076 -0.376) 0.390 3.801 ( -0.044 -0.144 -0.105) 0.184 3.823 ( 0.169 -0.150 -0.289) 0.366 3.924 ( -0.131 0.704 0.293) 0.774 3.927 ( 0.042 -0.561 0.064) 0.567 4.365 ( -0.186 -0.101 0.949) 0.973 4.418 ( 0.151 0.177 -0.571) 0.616 4.448 ( -0.127 -0.761 0.003) 0.772 4.452 ( 0.104 0.585 -0.137) 0.610 4.927 ( 0.095 -0.063 -0.299) 0.320 4.999 ( 0.055 0.049 -0.284) 0.293 11.555 ( -0.097 2.703 0.096) 2.706 11.815 ( 0.059 -3.357 0.088) 3.359 14.063 ( -0.061 0.025 -0.064) 0.092 14.172 ( 0.083 0.423 -0.061) 0.435 16.122 ( 0.001 -1.373 -0.000) 1.373 16.133 ( -0.004 1.385 0.012) 1.385 ======================= Grid point 315 (141/199) ======================= q-point: (-0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.079 -1.572 -0.018) 1.574 1.203 ( 0.027 -0.046 -0.437) 0.440 1.300 ( -0.259 0.563 0.572) 0.843 1.366 ( 1.458 3.546 -0.320) 3.847 1.425 ( 1.891 0.342 -0.049) 1.923 1.491 ( 0.108 -0.667 2.943) 3.019 1.589 ( -0.431 4.172 0.687) 4.250 1.680 ( -0.703 7.137 -0.251) 7.176 1.710 ( -0.585 7.277 0.755) 7.339 1.760 ( -0.055 5.958 -1.565) 6.160 1.783 ( -0.161 3.067 1.250) 3.315 1.846 ( -0.901 -0.947 -2.640) 2.945 1.906 ( 0.988 0.331 0.263) 1.074 1.981 ( -2.030 1.319 -1.486) 2.841 2.091 ( 0.381 -1.253 2.050) 2.432 2.248 ( -0.620 -3.925 1.005) 4.099 2.273 ( 0.188 -3.418 0.384) 3.445 2.481 ( 0.449 1.867 -3.619) 4.097 2.580 ( 0.965 0.375 -1.136) 1.537 2.635 ( 1.709 -0.162 0.983) 1.978 2.688 ( 0.057 -1.982 -0.929) 2.190 2.740 ( -2.418 5.443 -3.447) 6.881 2.789 ( -3.666 -3.740 -3.557) 6.331 2.964 ( 0.721 5.089 -0.652) 5.181 3.104 ( 1.353 -4.148 -0.208) 4.368 3.195 ( 0.243 8.724 0.973) 8.781 3.252 ( -0.300 -0.152 0.451) 0.562 3.342 ( 1.975 3.370 4.182) 5.722 3.417 ( -0.498 2.398 2.740) 3.675 3.454 ( 0.535 2.494 1.310) 2.867 3.516 ( 2.330 1.798 1.669) 3.383 3.608 ( 0.249 2.673 -0.151) 2.689 3.668 ( -1.034 1.230 0.057) 1.608 3.702 ( -0.676 -4.768 -0.162) 4.819 3.757 ( -0.596 2.543 -1.537) 3.030 3.797 ( 0.533 1.679 0.482) 1.826 3.819 ( -0.444 -1.961 -0.776) 2.155 3.924 ( -0.188 -1.163 0.001) 1.178 3.959 ( -0.040 -2.569 0.501) 2.618 4.361 ( 0.013 0.701 1.069) 1.278 4.406 ( 0.250 1.378 0.512) 1.491 4.438 ( 0.307 0.887 -1.114) 1.457 4.450 ( -0.271 0.442 -0.182) 0.550 4.903 ( -1.615 0.937 -2.246) 2.921 5.033 ( 0.943 -2.321 1.018) 2.705 11.380 ( -2.556 12.666 0.463) 12.930 11.781 ( 3.636 8.176 -0.358) 8.955 14.135 ( 0.146 -6.879 0.267) 6.886 14.272 ( -0.849 -10.103 -0.327) 10.144 16.088 ( 0.100 1.553 0.054) 1.558 16.185 ( -0.123 -3.537 -0.026) 3.539 ======================= Grid point 316 (142/199) ======================= q-point: (-0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.114 -2.225 0.232) 2.240 1.202 ( 0.308 0.455 -0.083) 0.555 1.247 ( -0.522 7.962 -2.531) 8.371 1.280 ( -0.081 2.520 -0.196) 2.529 1.387 ( 1.945 8.153 2.198) 8.665 1.408 ( 1.885 8.933 0.205) 9.132 1.498 ( -3.013 3.310 1.545) 4.735 1.521 ( 0.075 4.408 0.586) 4.448 1.553 ( -0.200 9.991 -0.783) 10.024 1.664 ( 3.432 2.166 1.366) 4.282 1.735 ( -1.386 2.574 0.405) 2.951 1.827 ( 1.618 5.175 -0.738) 5.472 1.873 ( -2.023 0.055 -1.737) 2.667 1.957 ( -0.399 0.638 0.066) 0.755 2.078 ( -2.108 3.041 1.018) 3.838 2.309 ( -0.321 -1.946 0.739) 2.106 2.358 ( 0.390 -4.380 -0.747) 4.460 2.484 ( 0.118 -1.367 -1.769) 2.239 2.530 ( -1.092 4.992 -2.001) 5.488 2.557 ( -0.609 7.185 -0.981) 7.277 2.647 ( 1.255 1.415 -0.336) 1.921 2.760 ( 1.125 -0.874 -1.044) 1.767 2.784 ( -1.935 2.399 0.153) 3.086 2.897 ( -0.433 2.273 -0.571) 2.384 3.007 ( 0.145 6.386 -1.573) 6.579 3.194 ( 1.285 -2.514 0.602) 2.887 3.230 ( -0.789 2.836 0.071) 2.944 3.255 ( 0.753 4.967 0.987) 5.120 3.354 ( -0.761 3.557 1.286) 3.858 3.410 ( 0.798 1.744 2.033) 2.794 3.504 ( 3.348 1.334 3.211) 4.827 3.555 ( -0.154 3.102 0.506) 3.147 3.623 ( -0.665 2.365 0.281) 2.473 3.657 ( -0.909 4.010 -2.551) 4.838 3.757 ( 0.422 2.055 0.260) 2.114 3.810 ( 0.089 -4.043 0.165) 4.047 3.845 ( -0.089 0.051 -0.350) 0.365 3.998 ( -0.494 -6.705 -0.188) 6.726 4.023 ( -0.134 -3.299 0.429) 3.330 4.327 ( -1.721 3.377 2.854) 4.744 4.355 ( 2.055 3.673 -1.103) 4.351 4.406 ( 0.503 1.803 -1.382) 2.327 4.453 ( -0.460 -1.144 -0.543) 1.348 4.899 ( -0.938 -1.259 -1.410) 2.110 5.087 ( 0.183 -2.932 0.716) 3.024 11.080 ( -1.456 16.013 0.873) 16.103 11.518 ( 2.505 18.675 -0.909) 18.864 14.317 ( 0.281 -10.689 0.721) 10.717 14.535 ( -0.895 -15.787 -0.707) 15.828 16.080 ( -0.230 -1.134 0.158) 1.168 16.272 ( 0.227 -5.318 -0.004) 5.323 ======================= Grid point 317 (143/199) ======================= q-point: (-0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -0.652 -0.317 1.490) 1.657 1.032 ( 0.218 11.707 -0.980) 11.750 1.100 ( -1.973 14.840 0.832) 14.993 1.165 ( -0.171 5.615 -0.608) 5.651 1.200 ( 0.968 6.834 -4.476) 8.226 1.307 ( 1.656 3.348 1.264) 3.943 1.347 ( -1.695 6.513 -0.367) 6.740 1.443 ( -3.082 1.213 0.393) 3.335 1.474 ( 2.555 3.465 -0.404) 4.324 1.574 ( 1.409 7.051 -1.773) 7.406 1.673 ( 2.063 7.354 2.042) 7.906 1.756 ( 2.145 1.027 2.732) 3.622 1.830 ( -2.701 3.882 -1.689) 5.022 1.933 ( 0.598 4.672 2.638) 5.398 1.955 ( -1.899 5.308 1.233) 5.770 2.305 ( -0.394 3.753 0.184) 3.778 2.351 ( 0.075 5.543 -1.309) 5.696 2.433 ( 0.035 1.277 0.763) 1.488 2.464 ( 0.824 3.060 -1.301) 3.425 2.528 ( 0.302 -1.336 1.314) 1.898 2.603 ( 0.904 3.304 -0.882) 3.537 2.688 ( -4.290 6.560 -4.138) 8.863 2.690 ( 1.259 4.119 -0.815) 4.383 2.869 ( 1.903 0.033 2.649) 3.262 2.975 ( -1.100 -0.916 -2.985) 3.311 3.119 ( -0.384 7.631 -0.303) 7.647 3.162 ( 1.378 4.280 0.316) 4.507 3.234 ( 0.361 -0.707 0.901) 1.200 3.286 ( -1.214 3.012 0.468) 3.281 3.384 ( 1.232 2.210 2.058) 3.262 3.430 ( -0.006 5.481 -0.076) 5.482 3.500 ( 0.447 2.346 0.650) 2.475 3.593 ( 0.131 1.498 -0.767) 1.688 3.636 ( -0.493 -2.589 0.212) 2.644 3.705 ( -0.174 3.429 -0.039) 3.433 3.811 ( 0.075 2.473 -0.045) 2.474 3.873 ( 0.696 -1.274 1.240) 1.910 4.031 ( -0.686 4.271 -1.041) 4.450 4.136 ( -0.427 0.033 0.492) 0.652 4.243 ( -0.691 -3.130 0.193) 3.211 4.339 ( 1.662 -2.729 -1.009) 3.351 4.385 ( 0.148 0.285 -0.797) 0.859 4.496 ( -0.552 -3.529 0.223) 3.578 4.943 ( -0.205 -3.360 -0.543) 3.410 5.157 ( -0.123 -4.122 0.785) 4.198 10.738 ( -0.542 18.434 1.659) 18.516 11.068 ( 1.076 26.592 -2.236) 26.708 14.553 ( 1.003 -12.580 1.492) 12.708 14.870 ( -1.182 -17.747 -1.325) 17.836 16.147 ( -0.473 -5.995 0.535) 6.038 16.410 ( 0.341 -8.755 0.186) 8.763 ======================= Grid point 318 (144/199) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -1.229 14.332 4.130) 14.965 0.803 ( 0.679 9.580 6.694) 11.707 0.944 ( 0.170 1.126 -1.155) 1.622 1.017 ( -3.222 7.121 -4.709) 9.124 1.054 ( 1.278 6.495 -6.760) 9.461 1.240 ( -0.408 5.136 1.093) 5.267 1.284 ( 1.098 1.708 -1.110) 2.314 1.381 ( 0.361 5.605 2.431) 6.120 1.418 ( -2.693 4.791 0.015) 5.496 1.470 ( 3.693 0.259 -3.849) 5.341 1.506 ( 0.089 8.714 1.403) 8.827 1.581 ( -0.628 11.330 2.510) 11.622 1.759 ( 0.507 9.402 1.215) 9.494 1.829 ( 0.395 -1.606 2.636) 3.112 1.933 ( -0.085 0.268 0.433) 0.516 2.167 ( 0.410 9.568 0.128) 9.577 2.217 ( 0.179 9.302 -0.536) 9.319 2.328 ( -1.334 6.440 -1.259) 6.696 2.403 ( 0.781 4.669 0.320) 4.745 2.509 ( -0.243 1.845 -1.359) 2.305 2.574 ( 0.385 -0.962 0.778) 1.296 2.584 ( -2.313 4.550 -1.449) 5.306 2.664 ( 0.084 -1.027 -2.814) 2.997 2.870 ( 1.973 0.483 1.051) 2.287 2.941 ( -0.280 8.061 -1.182) 8.152 2.992 ( 0.141 0.781 -0.990) 1.269 3.069 ( 0.988 5.326 1.950) 5.757 3.229 ( -0.424 1.613 1.228) 2.072 3.252 ( 0.821 -0.132 1.200) 1.460 3.284 ( -1.367 8.054 -0.706) 8.199 3.354 ( -1.555 2.133 -2.449) 3.601 3.469 ( 2.315 0.380 -0.071) 2.347 3.554 ( 0.202 3.633 -0.262) 3.648 3.596 ( -0.121 6.407 0.157) 6.411 3.717 ( 0.145 -2.871 3.223) 4.319 3.770 ( -0.104 0.853 1.065) 1.369 3.798 ( 0.277 11.412 5.079) 12.494 3.916 ( -3.035 3.260 -4.651) 6.440 4.006 ( 2.046 5.908 -5.323) 8.211 4.385 ( -0.342 -1.283 -0.157) 1.337 4.445 ( -0.708 -10.354 -0.536) 10.392 4.456 ( 0.985 -7.049 0.307) 7.124 4.593 ( -0.350 -6.190 0.916) 6.267 5.034 ( 0.126 -6.109 -0.255) 6.115 5.253 ( -0.051 -5.184 1.019) 5.283 10.311 ( -0.843 25.347 3.654) 25.622 10.470 ( 0.881 32.819 -6.204) 33.411 14.828 ( 2.681 -14.105 2.564) 14.585 15.219 ( -1.845 -17.515 -2.114) 17.738 16.331 ( -1.500 -13.095 1.933) 13.321 16.632 ( 0.492 -13.286 0.846) 13.322 ======================= Grid point 321 (145/199) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 5.122 -0.000 4.269) 6.668 0.493 ( -4.165 0.000 8.382) 9.360 0.912 ( 3.543 -0.000 -3.200) 4.775 0.917 ( -2.838 0.000 0.177) 2.844 0.952 ( -9.617 0.000 -7.621) 12.271 1.077 ( -0.717 0.000 -0.421) 0.831 1.090 ( 2.279 -0.000 3.209) 3.936 1.194 ( -0.007 0.000 -1.569) 1.569 1.283 ( 8.616 -0.000 4.522) 9.730 1.334 ( -0.763 0.000 -0.662) 1.010 1.459 ( -1.300 0.000 2.003) 2.388 1.567 ( 1.590 -0.000 1.316) 2.064 1.665 ( 1.826 -0.000 -5.696) 5.981 1.750 ( 1.673 -0.000 -0.465) 1.736 1.827 ( -0.998 0.000 0.324) 1.049 1.909 ( 1.275 -0.000 0.608) 1.412 1.989 ( -4.733 0.000 2.965) 5.585 2.049 ( -0.264 0.000 -0.120) 0.290 2.331 ( 0.831 -0.000 0.394) 0.919 2.376 ( 2.026 -0.000 -0.564) 2.103 2.513 ( -0.270 0.000 -0.352) 0.444 2.520 ( -0.257 0.000 -2.315) 2.330 2.627 ( -2.024 0.000 0.497) 2.084 2.757 ( -0.545 0.000 0.147) 0.564 2.777 ( 0.589 -0.000 0.115) 0.600 2.792 ( 0.422 -0.000 -0.370) 0.561 2.992 ( -2.923 0.000 1.072) 3.113 3.107 ( 1.490 -0.000 -1.096) 1.849 3.230 ( 0.099 -0.000 0.039) 0.106 3.261 ( -2.237 0.000 0.402) 2.273 3.275 ( -0.219 0.000 0.448) 0.499 3.311 ( 2.166 -0.000 3.015) 3.712 3.334 ( 0.282 -0.000 -0.441) 0.523 3.346 ( -0.157 0.000 -0.059) 0.168 3.546 ( -0.881 0.000 -2.065) 2.245 3.579 ( 3.008 -0.000 -1.936) 3.577 3.806 ( -2.793 0.000 1.279) 3.072 3.926 ( -0.568 0.000 6.941) 6.964 4.019 ( -1.431 0.000 -6.750) 6.900 4.439 ( 2.934 -0.000 -0.684) 3.013 4.609 ( -2.973 0.000 2.023) 3.596 4.690 ( 0.803 -0.000 1.931) 2.091 4.805 ( 0.946 -0.000 -2.830) 2.984 5.306 ( -1.730 0.000 -1.194) 2.102 5.396 ( 0.059 -0.000 0.752) 0.754 9.260 ( 1.734 -0.000 -0.034) 1.734 9.449 ( -1.709 0.000 0.033) 1.709 15.237 ( -5.480 0.000 -9.715) 11.154 15.740 ( 10.600 -0.000 0.237) 10.603 16.791 ( -16.101 0.000 2.823) 16.347 17.179 ( 7.109 -0.000 8.338) 10.957 ======================= Grid point 322 (146/199) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -1.641 -7.302 5.792) 9.463 0.687 ( 3.475 -12.510 1.327) 13.052 0.844 ( -4.212 -1.806 -0.130) 4.585 0.947 ( 1.704 -3.547 -1.472) 4.201 0.972 ( 1.174 3.103 -2.458) 4.129 1.075 ( -3.053 -8.081 -1.767) 8.818 1.209 ( -1.161 -4.982 1.022) 5.217 1.255 ( -0.416 -5.634 -1.651) 5.885 1.316 ( 1.197 -2.591 -1.311) 3.141 1.370 ( -1.682 -1.665 -0.495) 2.418 1.483 ( 2.752 -2.600 6.267) 7.322 1.546 ( 2.409 -0.454 2.697) 3.645 1.621 ( 1.907 -0.327 -5.595) 5.920 1.854 ( -0.684 -0.122 0.614) 0.928 1.882 ( -1.837 -3.586 -0.153) 4.032 1.973 ( 0.682 -8.645 -0.539) 8.689 2.013 ( -0.836 -7.627 1.473) 7.813 2.171 ( 0.170 -9.107 0.662) 9.132 2.343 ( 0.916 -1.956 -0.249) 2.174 2.456 ( -2.214 0.517 0.240) 2.286 2.513 ( 1.218 -5.045 0.550) 5.219 2.569 ( 2.516 -2.177 -1.679) 3.727 2.696 ( -0.785 0.290 -0.257) 0.876 2.761 ( -1.313 -6.123 -1.614) 6.466 2.822 ( -1.304 -4.812 -0.699) 5.035 2.931 ( -1.396 -7.272 -2.023) 7.676 2.996 ( -0.115 -2.719 0.820) 2.842 3.102 ( 1.575 -2.779 0.758) 3.283 3.203 ( -3.609 1.141 -0.531) 3.822 3.292 ( 0.855 -0.393 -0.600) 1.116 3.309 ( 1.208 -0.090 4.133) 4.307 3.423 ( 0.630 -6.917 -0.750) 6.986 3.450 ( 1.211 -8.162 -0.936) 8.304 3.464 ( -1.205 -15.158 0.840) 15.229 3.561 ( 1.087 0.044 -3.239) 3.417 3.655 ( -0.087 -8.816 -0.500) 8.830 3.780 ( -3.200 1.277 0.333) 3.461 3.867 ( -1.541 5.249 3.540) 6.516 3.986 ( 0.714 1.322 -2.964) 3.322 4.433 ( 2.946 1.485 -0.337) 3.316 4.558 ( -2.013 4.123 1.496) 4.826 4.627 ( 0.617 6.245 1.554) 6.465 4.728 ( -0.036 6.859 -1.362) 6.993 5.185 ( -1.039 8.549 -0.729) 8.643 5.350 ( -0.210 4.186 0.669) 4.244 9.692 ( -0.310 -33.692 -0.427) 33.696 9.790 ( -1.574 -29.319 -1.870) 29.420 15.091 ( -4.766 10.584 -7.927) 14.056 15.600 ( 8.216 15.858 2.200) 17.995 16.558 ( -8.537 13.806 4.875) 16.949 16.995 ( 4.235 17.668 4.270) 18.663 ======================= Grid point 323 (147/199) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.368 -13.911 4.212) 14.540 0.853 ( -1.169 -8.010 -3.347) 8.759 0.945 ( 0.435 -1.801 3.806) 4.233 0.985 ( 3.652 -8.364 1.466) 9.243 1.070 ( 1.652 -6.157 -0.893) 6.437 1.235 ( -0.750 -5.387 0.286) 5.447 1.247 ( -4.043 -2.634 -2.216) 5.310 1.345 ( -0.077 -1.775 -0.997) 2.037 1.403 ( -1.184 -6.491 -1.822) 6.845 1.472 ( -0.602 -7.984 -0.084) 8.008 1.556 ( 1.407 -3.441 -1.578) 4.039 1.616 ( 3.149 -6.910 2.763) 8.080 1.751 ( -1.422 -10.721 -0.431) 10.823 1.826 ( -1.213 1.227 0.507) 1.799 1.905 ( -2.482 -1.213 0.507) 2.809 2.177 ( 0.777 -9.999 -0.918) 10.071 2.238 ( 1.134 -11.301 -0.580) 11.373 2.302 ( -0.347 -3.136 1.815) 3.640 2.430 ( 1.529 -5.041 -1.387) 5.448 2.483 ( -1.387 -3.913 -0.333) 4.165 2.544 ( -0.764 -1.337 1.427) 2.100 2.629 ( 3.349 -0.272 3.184) 4.629 2.671 ( 1.115 0.354 -2.054) 2.364 2.832 ( -3.584 -2.393 -3.334) 5.448 2.953 ( 1.021 -7.659 -0.357) 7.735 2.986 ( -0.197 -0.559 -0.732) 0.942 3.098 ( 1.351 -5.043 -1.261) 5.371 3.197 ( -2.335 -2.632 0.581) 3.566 3.228 ( -2.749 -5.073 -0.886) 5.837 3.295 ( 1.359 -1.747 2.096) 3.048 3.332 ( -0.131 -1.400 1.353) 1.951 3.524 ( 1.778 -1.361 -2.613) 3.441 3.563 ( 1.855 -2.282 -0.423) 2.971 3.611 ( 1.419 -6.516 -0.257) 6.674 3.697 ( -2.339 2.833 1.401) 3.932 3.765 ( -2.792 -4.732 3.288) 6.403 3.797 ( -1.233 -7.192 -0.847) 7.345 3.860 ( -0.131 -6.498 0.836) 6.553 4.010 ( 0.848 -4.922 -3.378) 6.029 4.398 ( 0.954 4.578 0.839) 4.751 4.435 ( 0.076 6.859 0.147) 6.861 4.487 ( 1.821 6.575 -0.803) 6.870 4.570 ( -2.031 7.368 0.861) 7.691 5.034 ( 0.055 5.862 -0.399) 5.876 5.252 ( -0.367 5.068 0.630) 5.120 10.311 ( -0.706 -26.332 3.346) 26.554 10.430 ( -1.495 -32.523 -4.320) 32.843 14.828 ( -1.974 13.040 -4.115) 13.816 15.253 ( 3.878 19.598 2.583) 20.144 16.301 ( -1.747 10.005 2.268) 10.407 16.651 ( 0.470 15.701 0.836) 15.730 ======================= Grid point 324 (148/199) ======================= q-point: ( 0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.511 1.201 1.282) 1.829 1.036 ( 0.239 -10.046 1.361) 10.141 1.083 ( 0.291 -13.289 -0.362) 13.297 1.184 ( 2.091 -7.374 1.633) 7.837 1.209 ( -0.748 -7.553 -0.927) 7.647 1.280 ( -1.303 -3.900 1.151) 4.270 1.357 ( 0.801 -7.730 -1.701) 7.956 1.385 ( 0.386 -3.404 0.998) 3.568 1.520 ( -4.004 -4.874 -4.315) 7.642 1.564 ( 3.005 -2.326 -0.189) 3.805 1.657 ( -2.181 -5.990 -1.684) 6.593 1.740 ( -1.298 -2.698 -0.638) 3.061 1.844 ( 1.221 -3.576 2.695) 4.641 1.914 ( -1.438 -2.780 0.463) 3.164 2.002 ( 1.801 -9.129 2.627) 9.668 2.316 ( 0.602 -1.982 0.606) 2.158 2.352 ( 0.656 -5.846 -0.634) 5.917 2.438 ( 0.351 -6.301 -0.397) 6.324 2.461 ( -0.312 0.323 -1.867) 1.920 2.546 ( -0.090 0.600 -1.213) 1.357 2.573 ( -0.368 -2.599 0.961) 2.796 2.679 ( 0.480 -2.579 -0.326) 2.644 2.731 ( 2.991 -8.535 1.195) 9.123 2.859 ( -2.123 -0.966 -2.978) 3.782 2.964 ( 1.270 1.676 2.496) 3.264 3.117 ( 0.046 -6.981 0.200) 6.984 3.184 ( 0.606 -4.216 -2.827) 5.113 3.210 ( -0.954 0.956 0.082) 1.353 3.294 ( 0.279 -3.107 1.799) 3.601 3.358 ( -1.877 -2.214 -0.439) 2.936 3.400 ( -2.661 -5.865 -0.976) 6.514 3.555 ( 2.037 -1.717 0.641) 2.740 3.589 ( 0.378 -0.681 -0.676) 1.031 3.622 ( -0.753 2.354 1.141) 2.723 3.715 ( 0.711 -3.191 -0.277) 3.281 3.809 ( -0.221 -2.671 0.071) 2.681 3.859 ( -1.517 0.903 -0.541) 1.847 4.033 ( 0.892 -5.189 0.941) 5.348 4.128 ( -0.585 -3.044 1.059) 3.276 4.212 ( -0.628 6.548 0.250) 6.583 4.371 ( 0.266 1.283 -2.125) 2.497 4.416 ( 2.877 1.396 -1.761) 3.650 4.456 ( -2.550 3.245 2.189) 4.671 4.947 ( 0.514 3.181 0.020) 3.222 5.160 ( -0.114 4.082 0.581) 4.124 10.768 ( 1.787 -20.053 1.211) 20.169 10.997 ( -3.921 -25.111 -1.201) 25.443 14.566 ( -0.331 12.448 -1.896) 12.596 14.884 ( 1.723 18.171 1.439) 18.309 16.148 ( 0.270 5.338 0.649) 5.384 16.403 ( -0.736 9.152 0.109) 9.182 ======================= Grid point 325 (149/199) ======================= q-point: ( 0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.021 2.527 0.241) 2.539 1.191 ( -1.025 -3.011 0.250) 3.190 1.250 ( 1.160 -4.750 -0.431) 4.908 1.272 ( -0.230 -3.422 0.966) 3.563 1.358 ( -1.260 -6.197 -0.818) 6.376 1.432 ( 1.637 -9.377 -1.883) 9.703 1.500 ( 0.436 -8.381 2.469) 8.748 1.538 ( -3.656 -0.155 -5.676) 6.754 1.554 ( -1.416 -9.673 0.033) 9.776 1.635 ( 3.326 -3.939 1.957) 5.514 1.745 ( -2.530 -3.802 -0.026) 4.567 1.791 ( -0.098 -2.471 1.011) 2.672 1.899 ( 1.514 -1.456 0.083) 2.102 1.961 ( 0.562 -1.566 0.370) 1.705 2.105 ( 1.344 -1.280 3.143) 3.650 2.330 ( 1.288 1.252 -0.561) 1.882 2.363 ( -0.113 4.695 -0.766) 4.758 2.499 ( 1.146 0.436 -1.650) 2.056 2.532 ( 0.001 -2.775 -0.624) 2.844 2.563 ( 1.771 -7.367 2.389) 7.945 2.620 ( -1.152 -2.054 -0.631) 2.438 2.744 ( 0.249 -1.990 0.012) 2.006 2.828 ( 0.111 -0.807 -3.679) 3.768 2.917 ( 2.854 0.767 2.401) 3.808 2.981 ( -0.563 -9.405 0.749) 9.452 3.166 ( -1.678 2.614 -0.969) 3.254 3.223 ( -0.798 -2.810 0.805) 3.030 3.276 ( 0.624 -4.853 -1.289) 5.060 3.362 ( 0.097 -3.445 1.059) 3.605 3.380 ( -1.254 -1.579 0.908) 2.212 3.459 ( -4.677 -1.523 -3.604) 6.098 3.598 ( 0.219 -0.082 -0.634) 0.676 3.627 ( 0.246 -2.448 1.501) 2.882 3.646 ( 1.521 -6.417 0.860) 6.650 3.758 ( -0.117 -1.275 -0.792) 1.505 3.809 ( -0.253 3.255 -0.206) 3.271 3.844 ( 0.142 -0.389 0.052) 0.417 4.001 ( 0.534 6.210 0.671) 6.269 4.022 ( -0.233 3.922 0.505) 3.962 4.302 ( -0.483 -5.506 1.452) 5.715 4.387 ( -1.168 -1.505 -0.923) 2.117 4.414 ( 1.253 -0.198 -0.641) 1.422 4.426 ( -0.093 -0.854 -0.106) 0.865 4.908 ( 1.315 0.984 0.789) 1.822 5.087 ( -0.389 3.228 -0.056) 3.252 11.156 ( 4.785 -17.793 0.320) 18.428 11.400 ( -6.719 -17.156 -0.081) 18.425 14.327 ( -0.025 11.128 -0.888) 11.163 14.551 ( 1.205 15.492 0.648) 15.552 16.084 ( 0.236 1.424 0.188) 1.456 16.266 ( -0.345 4.857 -0.017) 4.869 ======================= Grid point 326 (150/199) ======================= q-point: ( 0.58 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.059 1.521 0.052) 1.523 1.204 ( 0.124 0.035 -0.271) 0.301 1.303 ( 0.056 -0.557 0.432) 0.708 1.346 ( -1.369 -4.260 -1.535) 4.731 1.412 ( 0.302 -0.209 -0.277) 0.460 1.511 ( -2.365 0.641 -3.600) 4.354 1.588 ( 0.332 -3.481 1.458) 3.788 1.667 ( 0.058 -7.903 1.047) 7.972 1.711 ( 0.922 -6.200 1.433) 6.430 1.772 ( 0.759 -6.043 0.352) 6.101 1.793 ( -1.587 -3.781 0.575) 4.140 1.828 ( 1.141 -0.846 0.620) 1.550 1.911 ( -0.279 1.022 -1.848) 2.130 1.987 ( 2.427 -0.773 3.693) 4.486 2.106 ( -0.645 1.391 -1.131) 1.905 2.251 ( 0.295 4.909 0.945) 5.008 2.287 ( -0.320 3.425 -1.237) 3.656 2.496 ( 1.120 -1.500 -3.275) 3.772 2.560 ( -0.254 0.035 -1.185) 1.212 2.618 ( -1.354 -1.415 -0.453) 2.010 2.693 ( 0.424 3.872 -1.799) 4.291 2.753 ( 3.191 -4.733 2.790) 6.353 2.829 ( 3.283 2.422 2.926) 5.020 2.960 ( -0.225 -4.794 -1.707) 5.094 3.083 ( -1.016 3.671 -1.122) 3.971 3.190 ( 0.065 -8.813 0.581) 8.832 3.243 ( -1.893 -0.847 -0.288) 2.093 3.351 ( -1.176 -1.637 -1.412) 2.461 3.414 ( -2.277 -3.013 1.231) 3.972 3.438 ( 0.474 -2.760 1.259) 3.071 3.484 ( -2.149 -2.986 -1.859) 4.122 3.618 ( -0.026 -1.755 -0.481) 1.820 3.666 ( 0.380 -0.075 2.461) 2.491 3.721 ( 0.492 3.194 -0.746) 3.316 3.759 ( 0.796 -2.695 0.417) 2.840 3.791 ( -0.514 -1.240 -0.724) 1.525 3.823 ( 0.608 1.621 0.414) 1.780 3.931 ( 0.250 1.267 -0.010) 1.292 3.956 ( -0.251 2.454 0.489) 2.515 4.356 ( -0.443 -0.861 0.772) 1.238 4.412 ( -0.425 -1.042 -0.154) 1.136 4.428 ( 0.311 -0.934 -0.209) 1.006 4.452 ( 0.175 -0.789 -0.385) 0.895 4.918 ( 2.157 -0.963 1.579) 2.841 5.025 ( -1.250 2.607 -1.248) 3.149 11.486 ( 6.840 -11.064 -0.151) 13.008 11.644 ( -7.984 -10.880 0.390) 13.501 14.137 ( -0.145 7.202 -0.379) 7.214 14.290 ( 0.880 10.433 0.203) 10.472 16.084 ( -0.122 -1.188 0.071) 1.196 16.189 ( 0.129 3.141 -0.031) 3.144 ======================= Grid point 327 (151/199) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.036 -0.075 -0.018) 0.085 1.202 ( 0.102 0.088 -0.530) 0.547 1.307 ( -0.112 0.133 0.523) 0.551 1.406 ( 1.725 -0.461 0.741) 1.933 1.412 ( -0.494 -1.462 -0.624) 1.665 1.485 ( -1.357 0.718 -1.774) 2.346 1.613 ( -0.008 -0.056 1.828) 1.828 1.759 ( -0.277 -1.533 1.184) 1.957 1.793 ( -0.451 2.820 0.427) 2.887 1.824 ( -0.055 -0.295 0.180) 0.350 1.831 ( 0.821 -0.790 0.216) 1.160 1.869 ( -0.510 0.208 -1.181) 1.303 1.880 ( 0.123 0.095 -0.687) 0.705 1.996 ( 0.209 0.801 1.418) 1.642 2.070 ( 0.136 0.190 -0.609) 0.652 2.195 ( 0.053 0.271 0.378) 0.468 2.241 ( -0.517 -0.116 1.080) 1.203 2.540 ( 0.644 2.541 -2.518) 3.635 2.556 ( 0.901 -3.129 -3.012) 4.435 2.616 ( 2.122 0.585 -1.217) 2.515 2.666 ( -3.108 -2.774 -1.369) 4.385 2.742 ( 1.207 3.016 2.163) 3.902 2.826 ( -0.007 2.808 -2.362) 3.669 3.017 ( 0.487 -2.476 -0.895) 2.678 3.050 ( 0.298 0.917 -0.703) 1.193 3.226 ( -0.936 -1.066 0.321) 1.455 3.326 ( -1.392 3.447 0.024) 3.718 3.361 ( 2.714 -4.216 4.108) 6.482 3.451 ( -1.769 -0.179 1.942) 2.633 3.476 ( -0.299 -0.554 0.367) 0.729 3.536 ( -0.528 -2.056 -0.427) 2.165 3.608 ( 0.249 1.551 0.686) 1.714 3.667 ( -0.137 -1.066 0.546) 1.206 3.679 ( 0.239 1.965 -0.479) 2.037 3.773 ( 0.276 0.017 -0.127) 0.304 3.799 ( -0.348 -0.214 -0.487) 0.635 3.824 ( 0.237 0.358 -0.183) 0.467 3.924 ( -0.110 0.445 0.294) 0.545 3.927 ( 0.015 -0.349 0.065) 0.356 4.365 ( -0.145 -0.233 0.952) 0.991 4.418 ( 0.129 0.085 -0.579) 0.600 4.447 ( -0.108 -0.669 0.002) 0.678 4.452 ( 0.067 0.552 -0.135) 0.572 4.927 ( 0.093 1.558 -0.305) 1.591 4.999 ( 0.064 -1.159 -0.274) 1.192 11.554 ( -0.091 4.492 0.099) 4.494 11.816 ( 0.052 -5.595 0.085) 5.596 14.062 ( -0.054 -0.081 -0.061) 0.115 14.172 ( 0.076 0.832 -0.064) 0.838 16.122 ( 0.002 -2.300 0.000) 2.300 16.133 ( -0.005 2.324 0.012) 2.324 ======================= Grid point 328 (152/199) ======================= q-point: (-0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.034 -1.567 -0.020) 1.567 1.202 ( 0.083 -0.088 -0.456) 0.471 1.300 ( -0.209 0.631 0.584) 0.885 1.372 ( 0.543 4.095 -1.245) 4.315 1.445 ( 3.229 -0.673 1.165) 3.498 1.492 ( -0.936 -1.304 1.932) 2.512 1.588 ( -0.237 4.293 0.984) 4.411 1.669 ( -1.826 7.863 -0.301) 8.078 1.712 ( 0.433 6.530 1.449) 6.702 1.756 ( -0.211 5.307 -2.088) 5.707 1.786 ( 0.320 3.973 1.006) 4.110 1.835 ( -0.841 -0.531 -2.121) 2.343 1.911 ( 0.554 0.142 -0.172) 0.597 1.967 ( -1.524 1.302 -0.584) 2.088 2.097 ( 0.436 -0.900 1.546) 1.841 2.246 ( -0.477 -4.214 0.996) 4.357 2.276 ( 0.460 -2.899 0.350) 2.956 2.479 ( 0.812 1.936 -3.688) 4.244 2.583 ( 0.434 0.515 -1.214) 1.389 2.648 ( 1.333 1.057 0.719) 1.846 2.688 ( 0.522 -1.370 -0.457) 1.536 2.721 ( -1.544 3.508 -2.235) 4.436 2.759 ( -3.059 -3.329 -3.491) 5.712 2.967 ( 0.529 5.130 -0.863) 5.229 3.111 ( 0.729 -4.277 -0.468) 4.364 3.197 ( -0.045 8.448 0.924) 8.498 3.250 ( -0.268 -0.368 0.462) 0.649 3.361 ( 1.537 4.477 2.873) 5.537 3.418 ( -0.388 2.420 2.444) 3.461 3.460 ( 0.092 2.169 2.209) 3.097 3.533 ( 1.673 0.823 1.748) 2.556 3.611 ( 0.777 2.599 -0.238) 2.723 3.658 ( -1.518 0.299 -0.830) 1.756 3.699 ( -0.077 -4.232 0.559) 4.269 3.751 ( -0.467 3.291 -1.533) 3.660 3.800 ( 0.298 1.643 0.332) 1.702 3.815 ( -0.315 -2.363 -0.668) 2.476 3.923 ( -0.062 -1.016 -0.036) 1.019 3.960 ( -0.097 -2.580 0.535) 2.637 4.363 ( -0.076 0.761 1.056) 1.303 4.409 ( 0.362 1.180 0.367) 1.288 4.437 ( -0.092 0.722 -1.001) 1.237 4.448 ( -0.055 0.699 -0.180) 0.724 4.890 ( -1.054 1.004 -1.713) 2.248 5.040 ( 0.596 -2.207 0.646) 2.376 11.369 ( -0.830 12.745 0.397) 12.778 11.798 ( 1.176 7.915 -0.278) 8.006 14.137 ( 0.199 -6.956 0.208) 6.962 14.267 ( -0.418 -9.924 -0.280) 9.937 16.088 ( 0.010 1.636 0.070) 1.638 16.185 ( -0.026 -3.623 -0.040) 3.624 ======================= Grid point 329 (153/199) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.106 -2.165 0.261) 2.183 1.203 ( 0.299 0.323 -0.304) 0.535 1.240 ( -0.456 8.113 -1.830) 8.330 1.279 ( -0.154 2.902 -0.168) 2.911 1.396 ( 0.617 11.405 0.363) 11.428 1.432 ( 3.693 6.335 1.967) 7.592 1.469 ( -4.614 5.463 -0.433) 7.164 1.530 ( 1.346 2.404 2.168) 3.506 1.551 ( 0.030 9.853 -0.946) 9.899 1.691 ( 3.593 1.637 1.942) 4.400 1.719 ( -2.972 1.844 -1.261) 3.717 1.838 ( 1.591 5.687 -0.164) 5.908 1.855 ( -1.946 -0.298 -1.729) 2.620 1.955 ( -0.314 -0.059 0.223) 0.390 2.069 ( -1.095 4.027 1.520) 4.442 2.309 ( 0.003 -1.879 0.685) 2.000 2.360 ( 0.532 -4.432 -0.811) 4.537 2.483 ( 0.543 -1.830 -1.939) 2.720 2.520 ( -0.669 6.085 -1.553) 6.315 2.553 ( -0.257 5.808 -0.623) 5.847 2.653 ( 0.464 1.409 -0.698) 1.640 2.765 ( -1.193 -0.485 -0.376) 1.341 2.771 ( 0.640 2.130 -0.337) 2.249 2.898 ( 0.533 1.132 -0.212) 1.269 3.005 ( -0.253 7.626 -1.280) 7.737 3.200 ( 0.097 -2.731 0.394) 2.761 3.226 ( -0.316 3.126 0.269) 3.153 3.261 ( 0.715 5.112 0.222) 5.167 3.352 ( -0.468 3.776 1.353) 4.039 3.415 ( -0.427 1.550 2.089) 2.637 3.526 ( 1.499 1.726 2.092) 3.099 3.561 ( 1.605 3.232 0.787) 3.693 3.618 ( -0.749 2.166 0.130) 2.295 3.647 ( -0.930 3.879 -2.269) 4.589 3.760 ( 0.288 2.279 0.056) 2.298 3.811 ( 0.093 -4.466 0.098) 4.468 3.843 ( -0.081 0.051 -0.294) 0.309 3.994 ( -0.370 -6.586 0.034) 6.597 4.023 ( -0.127 -3.257 0.428) 3.288 4.320 ( -1.643 4.054 2.753) 5.169 4.367 ( 2.155 2.971 -1.469) 3.953 4.407 ( 0.485 1.836 -1.529) 2.438 4.447 ( -0.908 -1.155 0.027) 1.470 4.892 ( -0.491 -1.537 -0.994) 1.896 5.090 ( 0.108 -2.764 0.550) 2.820 11.076 ( 0.002 15.882 0.764) 15.900 11.525 ( -0.094 18.807 -0.755) 18.822 14.320 ( 0.461 -10.834 0.460) 10.853 14.530 ( -0.369 -15.657 -0.490) 15.669 16.079 ( -0.114 -1.071 0.206) 1.096 16.273 ( 0.066 -5.394 -0.046) 5.395 ======================= Grid point 330 (154/199) ======================= q-point: (-0.08 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.254 -0.438 1.591) 1.669 1.032 ( 0.362 11.167 -1.007) 11.218 1.088 ( -1.867 14.401 1.509) 14.600 1.162 ( -0.136 7.750 -0.523) 7.769 1.203 ( 1.909 6.239 -4.278) 7.802 1.321 ( 1.733 3.654 0.270) 4.053 1.332 ( -2.493 6.276 1.056) 6.835 1.421 ( -3.339 2.247 0.942) 4.133 1.495 ( 3.377 2.715 -0.658) 4.382 1.576 ( 0.285 7.228 -2.357) 7.608 1.685 ( 0.762 8.005 0.657) 8.068 1.776 ( 1.712 -1.906 2.779) 3.780 1.807 ( -2.345 5.861 -1.526) 6.495 1.941 ( -0.652 7.924 2.679) 8.390 1.948 ( 0.353 0.999 1.205) 1.604 2.304 ( 0.053 3.502 0.464) 3.533 2.349 ( 0.176 5.554 -1.418) 5.734 2.435 ( 0.013 2.706 0.625) 2.777 2.467 ( 0.622 2.146 -1.628) 2.764 2.533 ( 0.432 -2.201 1.351) 2.619 2.609 ( 0.809 2.614 -1.024) 2.922 2.656 ( -2.635 8.413 -2.145) 9.073 2.697 ( 1.057 3.990 -1.201) 4.299 2.884 ( 1.060 0.727 2.128) 2.486 2.962 ( -0.998 -1.680 -2.688) 3.324 3.116 ( -0.237 7.637 -0.055) 7.641 3.171 ( 1.301 3.957 -0.599) 4.208 3.235 ( -0.611 -0.772 0.830) 1.287 3.281 ( -0.498 3.270 0.927) 3.435 3.390 ( -0.616 1.876 1.279) 2.352 3.429 ( -0.050 6.153 0.217) 6.157 3.509 ( 1.696 2.838 0.036) 3.307 3.592 ( -0.034 1.142 -0.894) 1.451 3.633 ( -0.683 -2.833 0.640) 2.983 3.705 ( 0.124 3.610 -0.009) 3.612 3.812 ( -0.007 2.399 -0.084) 2.401 3.878 ( 0.023 -1.679 0.885) 1.898 4.026 ( -0.371 5.110 -0.599) 5.159 4.134 ( -0.489 -0.247 0.685) 0.877 4.236 ( -1.423 -3.431 0.720) 3.784 4.351 ( 2.513 -2.343 -2.160) 4.058 4.385 ( 0.429 0.320 -0.795) 0.958 4.490 ( -1.248 -3.651 0.800) 3.940 4.941 ( 0.012 -3.483 -0.393) 3.505 5.158 ( -0.084 -4.132 0.726) 4.196 10.739 ( 0.137 18.457 1.555) 18.522 11.066 ( -0.809 26.636 -2.000) 26.723 14.562 ( 0.989 -12.984 0.680) 13.040 14.862 ( -0.399 -17.445 -0.670) 17.462 16.145 ( -0.331 -5.867 0.703) 5.918 16.412 ( 0.032 -8.856 0.044) 8.856 ======================= Grid point 334 (155/199) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -2.656 0.000 5.438) 6.052 0.506 ( 6.553 -0.000 3.657) 7.504 0.856 ( -12.763 0.000 -9.105) 15.678 0.892 ( -4.447 0.000 0.758) 4.511 0.935 ( 4.554 -0.000 -3.245) 5.592 1.072 ( -0.416 0.000 -0.850) 0.946 1.115 ( 2.913 -0.000 2.686) 3.962 1.191 ( -0.040 0.000 -1.610) 1.610 1.297 ( -2.799 0.000 -4.540) 5.334 1.363 ( 5.452 -0.000 2.631) 6.054 1.473 ( 3.500 -0.000 9.266) 9.905 1.580 ( 1.519 -0.000 0.286) 1.546 1.670 ( 1.924 -0.000 -3.102) 3.650 1.762 ( 2.028 -0.000 -0.630) 2.123 1.820 ( -1.328 0.000 0.504) 1.420 1.918 ( 1.003 -0.000 -0.615) 1.177 1.964 ( -3.712 0.000 3.485) 5.092 2.047 ( -0.265 0.000 -0.126) 0.293 2.340 ( 1.136 -0.000 0.732) 1.351 2.388 ( 1.829 -0.000 -0.989) 2.079 2.509 ( -0.532 0.000 -0.705) 0.884 2.510 ( -1.729 0.000 -2.146) 2.755 2.618 ( -0.878 0.000 1.182) 1.473 2.753 ( -0.464 0.000 0.174) 0.496 2.782 ( 0.555 -0.000 0.145) 0.574 2.794 ( 0.458 -0.000 -0.379) 0.594 2.975 ( -2.402 0.000 0.683) 2.497 3.114 ( 1.167 -0.000 -0.623) 1.323 3.231 ( 0.121 -0.000 0.043) 0.128 3.245 ( -2.342 0.000 -0.226) 2.353 3.274 ( -0.227 0.000 0.430) 0.487 3.330 ( 1.744 -0.000 3.186) 3.632 3.336 ( 0.310 -0.000 -0.436) 0.535 3.345 ( -0.200 0.000 -0.050) 0.206 3.535 ( -1.235 0.000 -2.285) 2.598 3.597 ( 3.254 -0.000 -2.886) 4.349 3.787 ( -3.028 0.000 1.253) 3.277 3.924 ( -2.938 0.000 3.417) 4.506 4.006 ( 0.640 -0.000 -2.737) 2.811 4.462 ( 3.852 -0.000 -0.343) 3.867 4.593 ( -2.512 0.000 1.906) 3.153 4.698 ( 0.229 -0.000 2.437) 2.448 4.805 ( 0.652 -0.000 -2.999) 3.069 5.286 ( -2.893 0.000 -2.210) 3.641 5.400 ( 0.432 -0.000 1.336) 1.404 9.275 ( 2.373 -0.000 -0.019) 2.373 9.435 ( -2.344 0.000 0.019) 2.344 15.172 ( -7.236 0.000 -11.279) 13.400 15.817 ( 10.522 -0.000 -0.149) 10.523 16.695 ( -12.852 0.000 4.224) 13.528 17.238 ( 5.556 -0.000 9.200) 10.748 ======================= Grid point 335 (156/199) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -0.940 -7.954 2.712) 8.457 0.699 ( -0.579 -8.054 -1.941) 8.305 0.824 ( -0.673 -8.289 2.257) 8.617 0.962 ( 1.317 -3.537 0.518) 3.810 0.974 ( 1.355 3.006 -0.973) 3.438 1.049 ( -2.806 -9.766 -3.608) 10.782 1.199 ( -2.096 -1.424 -0.360) 2.560 1.251 ( -0.242 -5.294 -1.861) 5.616 1.309 ( -1.883 -5.102 -0.822) 5.500 1.365 ( 0.299 0.586 -0.374) 0.757 1.516 ( 3.596 -0.260 4.333) 5.637 1.567 ( 1.717 -3.364 4.089) 5.566 1.628 ( 2.682 1.441 -3.430) 4.586 1.848 ( -1.317 0.599 -0.081) 1.449 1.870 ( -1.748 -3.055 1.030) 3.668 1.976 ( 0.627 -8.560 -1.350) 8.689 2.011 ( -0.347 -8.563 1.357) 8.677 2.175 ( 0.581 -9.482 0.951) 9.547 2.349 ( 0.943 -2.087 -0.559) 2.357 2.444 ( -1.347 0.520 0.269) 1.469 2.524 ( 1.403 -4.363 0.940) 4.679 2.584 ( 2.415 -3.131 -1.268) 4.152 2.687 ( -2.016 -2.413 0.254) 3.154 2.749 ( -0.929 -2.656 -2.199) 3.571 2.814 ( -0.824 -5.323 -0.266) 5.393 2.914 ( -2.146 -6.542 -3.412) 7.684 3.000 ( 0.649 -3.984 1.428) 4.282 3.114 ( 1.038 -1.871 1.090) 2.402 3.178 ( -3.134 0.866 -0.775) 3.343 3.299 ( 1.185 -0.852 -0.142) 1.467 3.324 ( 0.941 0.074 4.654) 4.748 3.426 ( 0.457 -6.702 -0.583) 6.743 3.456 ( 0.020 -12.813 -0.785) 12.837 3.458 ( -0.172 -10.767 0.790) 10.797 3.558 ( -0.273 -0.998 -4.530) 4.646 3.656 ( 0.780 -7.390 -0.908) 7.486 3.759 ( -2.693 1.561 0.390) 3.137 3.858 ( -2.571 4.669 1.869) 5.648 3.992 ( 1.590 1.086 -0.594) 2.015 4.456 ( 3.452 1.863 -0.080) 3.923 4.547 ( -1.739 3.762 1.438) 4.387 4.634 ( 0.285 6.210 1.928) 6.509 4.724 ( -0.288 7.173 -1.692) 7.376 5.175 ( -1.358 7.755 -1.084) 7.948 5.350 ( -0.198 4.442 0.737) 4.507 9.690 ( 0.030 -33.010 -0.109) 33.011 9.776 ( -1.593 -29.409 -1.330) 29.482 15.040 ( -5.481 9.038 -8.673) 13.673 15.660 ( 7.621 17.127 2.067) 18.860 16.513 ( -6.284 11.263 4.256) 13.582 17.028 ( 3.048 19.364 4.952) 20.218 ======================= Grid point 336 (157/199) ======================= q-point: ( 0.42 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.391 -14.403 1.997) 14.546 0.837 ( -1.538 -8.985 -1.622) 9.259 0.954 ( 0.480 -1.785 2.124) 2.816 1.020 ( 4.916 -8.294 2.101) 9.868 1.083 ( 1.712 -4.228 2.831) 5.368 1.207 ( -4.581 -4.173 -1.883) 6.477 1.236 ( 0.288 -5.989 -1.087) 6.093 1.345 ( 0.847 -2.432 -2.213) 3.396 1.386 ( -2.362 -5.340 -2.769) 6.463 1.469 ( -0.405 -8.571 1.068) 8.647 1.559 ( 0.173 -3.384 -1.354) 3.648 1.644 ( 3.368 -4.062 2.031) 5.655 1.738 ( -2.124 -11.513 -0.653) 11.726 1.818 ( -1.321 0.552 0.469) 1.507 1.889 ( -2.270 -1.105 0.793) 2.646 2.181 ( 0.854 -10.123 -1.064) 10.214 2.241 ( 0.124 -11.995 -0.128) 11.996 2.307 ( 0.751 -2.179 1.572) 2.790 2.437 ( 1.168 -4.768 -1.707) 5.197 2.474 ( -1.058 -3.925 -0.286) 4.075 2.545 ( 0.172 -0.955 2.221) 2.423 2.658 ( 3.083 -0.035 3.016) 4.313 2.675 ( 0.886 -0.002 -1.828) 2.031 2.803 ( -2.696 -3.568 -2.763) 5.257 2.958 ( 0.693 -6.908 -0.902) 7.001 2.982 ( -0.420 -2.512 -1.015) 2.742 3.102 ( 0.479 -3.665 -2.700) 4.577 3.178 ( -3.263 -5.905 0.711) 6.784 3.214 ( -1.053 -2.684 -0.152) 2.887 3.309 ( 1.344 -0.761 2.242) 2.723 3.335 ( 0.057 -0.774 1.559) 1.742 3.527 ( 0.408 -2.432 -2.309) 3.378 3.577 ( 2.081 -1.854 -0.270) 2.800 3.621 ( 1.560 -6.285 -0.817) 6.527 3.683 ( -2.180 2.317 1.231) 3.411 3.749 ( -2.970 -8.218 2.533) 9.098 3.786 ( -1.411 -2.696 -0.209) 3.050 3.865 ( 0.987 -8.783 0.361) 8.846 4.010 ( 0.740 -3.886 -2.426) 4.640 4.406 ( 0.799 6.318 1.123) 6.467 4.437 ( 0.335 5.643 0.068) 5.653 4.498 ( 1.859 5.875 -0.757) 6.208 4.557 ( -2.210 7.873 0.670) 8.204 5.034 ( 0.041 5.594 -0.423) 5.610 5.250 ( -0.429 4.978 0.597) 5.032 10.312 ( -0.565 -26.846 3.096) 27.030 10.413 ( -1.102 -32.094 -3.783) 32.335 14.805 ( -2.409 11.761 -4.380) 12.779 15.285 ( 3.697 20.825 2.659) 21.317 16.295 ( -0.981 9.094 1.708) 9.305 16.654 ( -0.031 16.575 1.279) 16.624 ======================= Grid point 337 (158/199) ======================= q-point: ( 0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.578 1.611 1.100) 2.034 1.042 ( 0.713 -9.478 1.441) 9.614 1.082 ( -0.206 -13.618 -0.908) 13.650 1.196 ( -1.692 -7.302 3.212) 8.155 1.207 ( 2.009 -5.918 -0.103) 6.251 1.281 ( 1.065 -5.543 0.529) 5.669 1.358 ( 0.451 -7.127 -1.554) 7.308 1.393 ( 1.191 -3.824 0.067) 4.006 1.481 ( -4.492 -3.931 -5.279) 7.969 1.584 ( 2.473 -2.975 0.364) 3.886 1.639 ( -2.281 -5.509 -1.245) 6.091 1.731 ( -1.069 -3.156 -0.396) 3.355 1.855 ( 0.755 -3.686 2.383) 4.454 1.906 ( -0.994 -2.514 0.316) 2.722 2.016 ( 0.840 -11.484 2.427) 11.768 2.321 ( 0.532 -1.574 0.509) 1.737 2.356 ( 0.728 -6.052 -0.286) 6.103 2.440 ( 0.401 -6.570 -0.841) 6.636 2.455 ( -0.641 0.954 -1.509) 1.897 2.540 ( -0.470 -1.340 -1.883) 2.358 2.578 ( 0.750 -1.271 2.723) 3.097 2.678 ( 0.131 -1.606 -2.077) 2.629 2.751 ( 1.508 -9.181 1.153) 9.376 2.843 ( -0.658 0.018 -2.360) 2.450 2.980 ( 1.941 0.738 3.586) 4.144 3.117 ( -0.140 -6.559 -0.092) 6.561 3.182 ( 0.118 -4.776 -3.391) 5.858 3.205 ( -0.701 1.309 -0.379) 1.533 3.297 ( -0.269 -3.909 1.411) 4.165 3.343 ( -2.087 -2.729 -0.427) 3.462 3.382 ( -1.689 -3.677 -0.821) 4.128 3.567 ( 0.866 -2.017 1.415) 2.612 3.592 ( 0.604 -0.187 -0.327) 0.712 3.619 ( -0.299 1.908 0.598) 2.022 3.719 ( 0.624 -2.877 -0.409) 2.972 3.807 ( -0.190 -2.882 0.145) 2.892 3.847 ( -1.383 0.316 -0.679) 1.573 4.042 ( 1.030 -4.286 1.026) 4.526 4.125 ( -0.549 -4.848 0.854) 4.954 4.210 ( -0.003 7.621 -0.067) 7.622 4.368 ( -0.194 1.653 -1.673) 2.360 4.433 ( 2.244 1.902 -1.224) 3.186 4.442 ( -1.964 2.627 1.639) 3.666 4.951 ( 0.482 2.951 0.023) 2.990 5.160 ( -0.166 4.055 0.584) 4.100 10.783 ( 1.517 -20.882 1.239) 20.973 10.970 ( -2.987 -24.243 -1.194) 24.455 14.559 ( -0.663 11.931 -1.877) 12.096 14.898 ( 1.591 18.655 1.405) 18.776 16.151 ( 0.361 5.261 0.448) 5.292 16.398 ( -0.723 9.173 0.288) 9.206 ======================= Grid point 338 (159/199) ======================= q-point: (-0.42 -0.75 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.019 2.634 0.208) 2.642 1.185 ( -0.686 -3.382 0.301) 3.464 1.255 ( 0.107 -3.111 0.636) 3.177 1.274 ( 0.564 -3.562 0.375) 3.626 1.353 ( 0.191 -7.497 -1.050) 7.572 1.439 ( 1.082 -7.727 -1.791) 8.006 1.494 ( -4.786 -1.676 -4.087) 6.513 1.509 ( 0.647 -8.605 2.023) 8.863 1.552 ( 0.224 -8.878 -0.644) 8.904 1.662 ( 3.313 -4.071 1.592) 5.485 1.723 ( -3.562 -3.775 0.333) 5.201 1.794 ( 0.304 -3.042 0.707) 3.138 1.908 ( 0.985 -1.129 -0.263) 1.522 1.966 ( 0.454 -2.837 0.354) 2.895 2.118 ( 0.884 0.108 2.925) 3.058 2.337 ( 0.925 1.426 -0.688) 1.834 2.361 ( -0.218 4.519 -0.615) 4.566 2.504 ( 0.870 0.293 -1.542) 1.794 2.530 ( -0.038 -2.514 -0.858) 2.657 2.581 ( 1.866 -8.132 3.001) 8.866 2.613 ( -0.666 -2.119 -0.382) 2.254 2.745 ( 0.163 -2.727 -0.270) 2.745 2.816 ( -1.135 -0.310 -5.104) 5.237 2.947 ( 3.589 -1.756 3.473) 5.294 2.982 ( 0.335 -6.905 1.641) 7.105 3.151 ( -1.834 2.866 -1.759) 3.831 3.218 ( -0.924 -2.491 0.670) 2.740 3.277 ( 0.228 -4.622 -1.202) 4.781 3.363 ( -0.145 -2.381 0.366) 2.414 3.376 ( -0.581 -2.664 1.262) 3.004 3.423 ( -3.726 -1.605 -3.330) 5.248 3.597 ( -0.413 -0.119 0.168) 0.461 3.630 ( -0.033 -2.661 1.088) 2.875 3.658 ( 1.615 -6.130 0.719) 6.380 3.755 ( -0.147 -0.951 -0.872) 1.299 3.807 ( -0.226 2.808 -0.189) 2.823 3.845 ( 0.149 -0.444 0.034) 0.470 4.006 ( 0.542 6.304 0.495) 6.347 4.021 ( -0.256 4.007 0.549) 4.052 4.302 ( -0.024 -5.466 1.048) 5.566 4.377 ( -1.439 -1.592 0.067) 2.147 4.417 ( -0.336 -0.427 0.392) 0.670 4.430 ( 1.492 -0.625 -1.697) 2.345 4.919 ( 1.188 0.537 0.687) 1.474 5.084 ( -0.440 3.546 -0.030) 3.573 11.188 ( 3.865 -19.031 0.431) 19.425 11.357 ( -4.952 -15.961 -0.201) 16.713 14.325 ( -0.219 11.030 -0.786) 11.060 14.560 ( 0.872 15.596 0.557) 15.630 16.086 ( 0.174 1.556 0.133) 1.571 16.264 ( -0.248 4.684 0.035) 4.691 ======================= Grid point 339 (160/199) ======================= q-point: (-0.33 -0.75 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.011 1.506 0.060) 1.508 1.205 ( 0.088 -0.005 -0.254) 0.268 1.304 ( -0.040 -0.521 0.402) 0.659 1.335 ( -0.923 -4.238 -1.223) 4.507 1.417 ( 1.038 -0.266 0.587) 1.222 1.487 ( -2.542 -0.086 -3.661) 4.457 1.593 ( 0.284 -3.539 1.138) 3.729 1.668 ( -0.060 -8.385 0.724) 8.417 1.720 ( 1.023 -5.341 0.936) 5.518 1.771 ( -1.507 -4.215 1.953) 4.883 1.790 ( 0.755 -6.338 -0.312) 6.390 1.837 ( 1.027 -0.636 0.585) 1.342 1.904 ( -0.608 1.637 -2.129) 2.754 2.010 ( 2.468 -0.880 3.739) 4.566 2.097 ( -1.336 1.582 -1.469) 2.539 2.255 ( 0.251 4.571 1.028) 4.692 2.281 ( -0.546 4.163 -1.204) 4.368 2.497 ( 0.775 -1.425 -3.146) 3.540 2.557 ( 0.158 -0.418 -1.199) 1.280 2.609 ( -0.843 -0.624 -0.112) 1.055 2.693 ( 0.492 3.945 -1.812) 4.369 2.780 ( 3.056 -4.140 2.419) 5.686 2.851 ( 1.719 0.610 1.873) 2.614 2.957 ( 0.250 -2.605 -1.328) 2.935 3.074 ( -0.921 2.598 -1.120) 2.976 3.193 ( 0.650 -9.476 0.585) 9.517 3.226 ( -2.440 -0.638 -0.633) 2.601 3.341 ( -1.091 -1.384 -0.467) 1.823 3.402 ( -1.594 -2.509 1.320) 3.252 3.444 ( 0.533 -2.831 1.033) 3.060 3.469 ( -1.269 -3.898 -1.448) 4.348 3.617 ( -0.186 -1.812 -0.218) 1.834 3.672 ( 0.087 -0.366 2.257) 2.288 3.723 ( 0.265 3.115 -0.825) 3.233 3.765 ( 0.769 -2.169 0.530) 2.362 3.786 ( -0.504 -1.064 -0.900) 1.482 3.827 ( 0.463 1.211 0.278) 1.326 3.932 ( 0.030 1.452 0.023) 1.453 3.955 ( -0.108 2.411 0.443) 2.454 4.355 ( -0.300 -0.886 0.788) 1.224 4.408 ( -0.452 -1.295 0.053) 1.373 4.430 ( 0.350 -0.771 -0.377) 0.927 4.453 ( 0.178 -0.725 -0.409) 0.852 4.936 ( 2.065 -1.214 1.502) 2.828 5.013 ( -1.387 3.027 -1.343) 3.590 11.535 ( 6.904 -8.756 -0.303) 11.155 11.589 ( -7.326 -13.371 0.529) 15.255 14.135 ( -0.139 7.167 -0.305) 7.174 14.295 ( 0.405 10.571 0.141) 10.580 16.084 ( -0.037 -1.119 0.056) 1.121 16.190 ( 0.037 3.069 -0.018) 3.069 ======================= Grid point 340 (161/199) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.018 -0.081 -0.022) 0.085 1.202 ( 0.108 0.117 -0.526) 0.549 1.307 ( -0.119 0.140 0.521) 0.552 1.407 ( -0.527 -2.266 -0.720) 2.435 1.423 ( 2.385 -0.645 1.718) 3.010 1.470 ( -1.861 0.357 -2.634) 3.245 1.616 ( -0.210 0.032 1.828) 1.840 1.758 ( -0.573 -0.343 1.375) 1.528 1.794 ( 0.582 2.412 0.211) 2.491 1.823 ( -0.145 -0.497 0.179) 0.547 1.837 ( 0.670 0.159 0.243) 0.730 1.862 ( -0.748 -0.520 -0.875) 1.263 1.879 ( 0.092 -0.025 -1.011) 1.016 2.000 ( -0.011 2.185 1.426) 2.609 2.070 ( 0.064 -0.516 -0.624) 0.812 2.195 ( -0.086 0.843 0.347) 0.916 2.240 ( -0.181 -1.137 1.098) 1.591 2.541 ( 0.885 2.834 -2.632) 3.968 2.556 ( 0.545 -3.072 -2.994) 4.324 2.631 ( 2.344 -0.897 -0.827) 2.642 2.642 ( -2.488 -2.020 -1.372) 3.486 2.756 ( 1.674 4.044 2.909) 5.255 2.816 ( -1.266 4.471 -3.354) 5.731 3.018 ( 0.288 -4.080 -1.008) 4.212 3.051 ( 0.267 1.963 -0.735) 2.113 3.222 ( -0.422 -1.697 0.513) 1.822 3.317 ( -1.168 3.007 0.414) 3.252 3.389 ( 2.837 -5.285 4.426) 7.454 3.440 ( -2.136 -1.111 1.348) 2.759 3.474 ( -0.314 0.008 0.441) 0.541 3.530 ( -0.585 -2.279 -0.768) 2.475 3.610 ( 0.037 2.123 0.723) 2.243 3.667 ( -0.108 -0.108 0.558) 0.579 3.680 ( 0.256 1.161 -0.441) 1.268 3.775 ( 0.349 -0.099 0.004) 0.362 3.795 ( -0.320 -0.087 -0.626) 0.708 3.825 ( 0.130 0.688 -0.182) 0.723 3.923 ( -0.065 0.177 0.313) 0.365 3.927 ( -0.027 -0.154 0.052) 0.165 4.366 ( -0.180 -0.307 0.922) 0.988 4.418 ( 0.113 -0.026 -0.570) 0.581 4.447 ( -0.006 -0.512 0.013) 0.513 4.452 ( 0.018 0.486 -0.133) 0.504 4.927 ( 0.070 2.763 -0.309) 2.781 4.999 ( 0.076 -2.056 -0.272) 2.075 11.554 ( -0.017 5.080 0.097) 5.081 11.816 ( -0.028 -6.337 0.088) 6.337 14.062 ( 0.023 -0.165 -0.064) 0.178 14.172 ( 0.008 1.017 -0.062) 1.019 16.122 ( 0.000 -2.611 0.000) 2.611 16.133 ( -0.003 2.640 0.012) 2.640 ======================= Grid point 341 (162/199) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.030 -1.561 -0.019) 1.561 1.202 ( 0.140 -0.121 -0.450) 0.487 1.300 ( -0.134 0.685 0.593) 0.916 1.371 ( 0.155 4.301 -1.437) 4.538 1.463 ( 0.027 -0.524 0.026) 0.526 1.493 ( 1.646 -2.535 1.665) 3.451 1.588 ( -0.348 4.227 1.068) 4.374 1.657 ( -1.562 8.233 0.759) 8.414 1.718 ( 0.103 5.849 1.427) 6.022 1.751 ( 0.094 5.968 -2.296) 6.395 1.790 ( 0.635 4.201 0.618) 4.294 1.827 ( -0.565 -0.266 -1.360) 1.496 1.914 ( 0.311 -0.014 -0.400) 0.507 1.957 ( -1.182 1.299 0.347) 1.790 2.103 ( 0.494 -0.784 0.972) 1.343 2.245 ( -0.316 -4.555 0.951) 4.664 2.281 ( 0.696 -2.454 0.099) 2.553 2.480 ( 1.196 1.928 -3.679) 4.322 2.582 ( -0.106 0.356 -1.262) 1.316 2.654 ( 0.170 3.096 0.101) 3.103 2.692 ( 0.573 1.144 -0.578) 1.404 2.714 ( -0.113 -1.286 -0.385) 1.347 2.737 ( -1.296 -2.670 -2.511) 3.887 2.968 ( 0.383 5.081 -1.050) 5.203 3.112 ( -0.030 -4.300 -0.670) 4.352 3.197 ( -0.359 8.233 0.892) 8.289 3.250 ( 0.017 -0.377 0.494) 0.622 3.373 ( 0.733 5.143 1.335) 5.364 3.420 ( -0.153 2.438 2.199) 3.287 3.461 ( -0.843 2.318 2.482) 3.499 3.544 ( 0.469 0.065 1.107) 1.204 3.617 ( 1.036 2.356 -0.384) 2.602 3.646 ( -1.370 -0.594 -0.673) 1.638 3.702 ( 0.498 -3.758 0.799) 3.875 3.746 ( -0.155 4.018 -1.329) 4.235 3.802 ( 0.037 1.564 0.155) 1.572 3.813 ( -0.108 -2.619 -0.445) 2.659 3.923 ( 0.083 -0.915 -0.044) 0.920 3.960 ( -0.164 -2.580 0.543) 2.642 4.363 ( -0.225 0.809 0.977) 1.288 4.412 ( 0.402 0.926 0.162) 1.023 4.433 ( -0.440 0.780 -0.644) 1.103 4.448 ( 0.198 0.843 -0.315) 0.921 4.883 ( -0.323 1.060 -0.986) 1.483 5.043 ( 0.229 -2.165 0.248) 2.191 11.370 ( 0.925 12.721 0.310) 12.758 11.796 ( -1.420 7.953 -0.162) 8.081 14.139 ( 0.194 -7.048 0.055) 7.051 14.265 ( 0.141 -9.845 -0.153) 9.848 16.088 ( -0.089 1.641 0.084) 1.646 16.185 ( 0.082 -3.627 -0.051) 3.629 ======================= Grid point 342 (163/199) ======================= q-point: (-0.08 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.080 -2.175 0.283) 2.195 1.205 ( 0.115 0.159 -0.262) 0.327 1.235 ( -0.061 8.383 -1.429) 8.504 1.277 ( -0.279 3.201 0.108) 3.215 1.401 ( 0.529 10.928 0.005) 10.941 1.436 ( -4.143 6.482 -1.110) 7.773 1.460 ( 2.997 6.409 2.317) 7.445 1.546 ( 2.211 2.302 1.833) 3.681 1.550 ( 0.099 9.597 -0.958) 9.645 1.689 ( -4.488 1.445 -2.594) 5.381 1.719 ( 3.139 1.620 2.167) 4.144 1.833 ( -2.355 3.560 -1.089) 4.405 1.855 ( 2.030 1.753 -0.044) 2.682 1.954 ( -0.122 -0.429 0.341) 0.562 2.068 ( 0.043 4.386 2.104) 4.865 2.311 ( 0.349 -1.711 0.457) 1.805 2.363 ( 0.520 -4.550 -0.902) 4.668 2.485 ( 0.918 -1.869 -2.039) 2.914 2.517 ( 0.284 6.141 -0.720) 6.190 2.551 ( -0.226 5.292 -0.361) 5.309 2.651 ( -0.552 1.429 -1.005) 1.832 2.752 ( -1.623 1.667 0.045) 2.327 2.785 ( 2.551 0.262 0.047) 2.565 2.901 ( 0.471 0.000 -0.704) 0.847 3.000 ( -0.692 8.744 -0.901) 8.818 3.197 ( -0.892 -2.501 0.224) 2.665 3.226 ( 0.034 2.942 0.468) 2.979 3.266 ( 0.696 5.188 -0.386) 5.248 3.352 ( -0.114 3.923 1.443) 4.182 3.411 ( -1.529 1.457 1.804) 2.778 3.533 ( -0.202 1.981 0.580) 2.074 3.576 ( 2.189 2.943 0.335) 3.683 3.613 ( -0.687 1.947 0.322) 2.090 3.638 ( -0.544 4.115 -1.393) 4.379 3.761 ( 0.105 2.238 -0.189) 2.248 3.811 ( 0.080 -4.544 0.004) 4.544 3.843 ( -0.031 0.113 -0.189) 0.223 3.993 ( -0.149 -6.454 0.310) 6.463 4.023 ( -0.118 -3.324 0.438) 3.355 4.313 ( -1.464 4.623 2.512) 5.462 4.380 ( 2.171 2.350 -1.720) 3.632 4.407 ( 0.254 1.776 -1.735) 2.496 4.441 ( -1.167 -0.987 0.701) 1.682 4.889 ( 0.096 -1.658 -0.434) 1.717 5.091 ( 0.003 -2.713 0.362) 2.737 11.083 ( 1.454 15.987 0.638) 16.066 11.514 ( -2.668 18.741 -0.560) 18.938 14.324 ( 0.494 -10.989 0.028) 11.000 14.529 ( 0.287 -15.533 -0.124) 15.536 16.079 ( 0.021 -1.076 0.239) 1.102 16.272 ( -0.112 -5.370 -0.073) 5.372 ======================= Grid point 347 (164/199) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -1.685 0.000 1.081) 2.002 0.559 ( 6.649 -0.000 3.240) 7.396 0.752 ( -12.002 0.000 -8.223) 14.549 0.859 ( -5.473 0.000 1.292) 5.623 0.967 ( 5.694 -0.000 -2.089) 6.065 1.068 ( -0.017 0.000 -1.259) 1.259 1.136 ( 1.616 -0.000 2.141) 2.683 1.188 ( 0.046 -0.000 -1.674) 1.675 1.259 ( -5.476 0.000 -4.077) 6.827 1.386 ( 1.250 -0.000 -0.570) 1.374 1.535 ( 7.651 -0.000 11.637) 13.927 1.588 ( 1.162 -0.000 -1.664) 2.030 1.682 ( 2.025 -0.000 0.985) 2.252 1.776 ( 2.174 -0.000 -0.742) 2.297 1.811 ( -1.628 0.000 0.662) 1.757 1.920 ( 0.221 -0.000 -1.706) 1.720 1.950 ( -1.842 0.000 2.738) 3.300 2.045 ( -0.157 0.000 -0.091) 0.181 2.349 ( 1.109 -0.000 0.881) 1.416 2.397 ( 1.420 -0.000 -1.303) 1.927 2.490 ( -2.728 0.000 -1.816) 3.278 2.504 ( -0.645 0.000 -0.883) 1.094 2.619 ( 0.577 -0.000 1.453) 1.563 2.751 ( -0.344 0.000 0.180) 0.389 2.785 ( 0.438 -0.000 0.157) 0.465 2.798 ( 0.595 -0.000 -0.089) 0.601 2.961 ( -1.751 0.000 -0.090) 1.753 3.121 ( 0.933 -0.000 -0.146) 0.945 3.227 ( -2.572 0.000 -0.521) 2.624 3.232 ( 0.108 -0.000 0.046) 0.118 3.273 ( -0.203 0.000 0.408) 0.456 3.337 ( 0.291 -0.000 -0.397) 0.493 3.344 ( -0.193 0.000 -0.070) 0.206 3.346 ( 1.287 -0.000 3.497) 3.726 3.521 ( -1.508 0.000 -2.651) 3.050 3.614 ( 2.963 -0.000 -3.577) 4.645 3.771 ( -2.072 0.000 1.384) 2.492 3.899 ( -4.770 0.000 1.137) 4.903 4.016 ( 2.199 -0.000 -0.311) 2.221 4.491 ( 4.241 -0.000 -0.041) 4.241 4.580 ( -2.025 0.000 1.636) 2.603 4.702 ( -0.254 0.000 2.608) 2.620 4.804 ( 0.264 -0.000 -2.740) 2.752 5.261 ( -3.007 0.000 -2.228) 3.742 5.405 ( 0.411 -0.000 1.299) 1.363 9.293 ( 2.659 -0.000 -0.011) 2.659 9.417 ( -2.632 0.000 0.012) 2.632 15.103 ( -6.819 0.000 -10.787) 12.762 15.881 ( 7.981 -0.000 -0.678) 8.010 16.627 ( -8.401 0.000 4.321) 9.447 17.287 ( 3.931 -0.000 9.151) 9.960 ======================= Grid point 348 (165/199) ======================= q-point: ( 0.42 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -1.715 -8.498 -1.053) 8.733 0.679 ( -3.228 -5.232 -0.977) 6.225 0.842 ( 3.915 -14.099 2.270) 14.808 0.951 ( -4.117 -1.295 3.436) 5.516 0.996 ( 3.339 -2.476 -1.203) 4.327 1.032 ( 0.910 -7.009 -4.415) 8.333 1.177 ( -3.579 0.753 -1.535) 3.967 1.244 ( -0.556 -4.681 -2.831) 5.499 1.296 ( -1.979 -7.299 1.715) 7.755 1.368 ( 0.471 1.131 -0.418) 1.295 1.539 ( 1.508 1.903 -0.175) 2.434 1.583 ( 1.432 -2.974 3.175) 4.580 1.651 ( 4.099 1.568 2.393) 4.999 1.833 ( -2.859 0.828 -0.455) 3.011 1.865 ( -0.187 -2.130 1.217) 2.460 1.977 ( 0.408 -8.731 -1.908) 8.946 2.012 ( 0.010 -8.950 1.085) 9.015 2.182 ( 0.766 -9.788 0.884) 9.857 2.353 ( 0.576 -2.152 -0.682) 2.330 2.439 ( -0.124 0.397 -0.186) 0.456 2.537 ( 1.884 -4.017 1.405) 4.654 2.596 ( 1.296 -4.544 -1.173) 4.869 2.670 ( -2.565 -4.235 -0.221) 4.956 2.744 ( 0.536 0.350 -1.084) 1.259 2.809 ( -0.419 -5.821 0.088) 5.837 2.890 ( -2.652 -5.293 -4.220) 7.270 3.008 ( 0.976 -5.291 1.185) 5.510 3.118 ( -0.406 0.247 0.819) 0.947 3.161 ( -1.317 -0.623 -0.195) 1.470 3.308 ( 1.187 -1.339 -0.079) 1.792 3.338 ( 0.782 0.018 5.125) 5.185 3.428 ( 0.423 -6.721 -0.499) 6.752 3.451 ( -0.796 -14.246 0.687) 14.285 3.461 ( 0.419 -9.022 -0.433) 9.042 3.541 ( -1.898 -2.332 -5.363) 6.148 3.662 ( 0.937 -5.608 -0.988) 5.771 3.747 ( -0.640 1.418 0.147) 1.562 3.840 ( -3.035 3.626 1.428) 4.940 4.004 ( 1.876 1.297 0.015) 2.281 4.480 ( 3.434 2.346 0.133) 4.161 4.538 ( -1.554 3.483 1.147) 3.983 4.638 ( 0.121 6.063 2.134) 6.429 4.718 ( -0.543 7.449 -1.724) 7.665 5.164 ( -1.288 6.899 -1.099) 7.104 5.350 ( -0.216 4.743 0.756) 4.808 9.692 ( 0.408 -32.195 0.075) 32.197 9.764 ( -1.119 -29.772 -1.139) 29.815 14.989 ( -4.930 7.752 -7.768) 12.031 15.710 ( 5.425 17.783 1.491) 18.652 16.486 ( -3.368 9.641 3.190) 10.699 17.053 ( 1.605 20.769 5.306) 21.496 ======================= Grid point 349 (166/199) ======================= q-point: (-0.50 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -1.322 -14.778 -0.822) 14.860 0.833 ( 0.539 -10.046 1.536) 10.177 0.959 ( 0.282 -2.795 1.673) 3.269 1.054 ( 3.352 -5.537 0.041) 6.473 1.100 ( 0.566 -3.206 5.648) 6.519 1.183 ( -0.751 -6.587 -1.546) 6.808 1.238 ( 0.918 -6.747 -1.558) 6.986 1.343 ( -0.767 -5.354 -4.588) 7.093 1.366 ( -1.360 -2.001 -1.997) 3.137 1.469 ( -0.330 -8.692 1.711) 8.865 1.556 ( -0.558 -2.724 -0.963) 2.942 1.666 ( 2.070 -2.756 1.051) 3.604 1.721 ( -2.267 -11.417 0.217) 11.642 1.810 ( -1.309 -0.605 0.649) 1.582 1.878 ( -1.208 -0.758 0.922) 1.698 2.185 ( 0.671 -10.281 -1.175) 10.370 2.240 ( -0.559 -11.753 0.568) 11.780 2.316 ( 1.210 -2.284 0.803) 2.706 2.439 ( 0.063 -4.740 -1.412) 4.946 2.469 ( 0.134 -3.280 -0.732) 3.363 2.554 ( 1.160 -0.783 2.651) 2.998 2.672 ( -0.853 0.854 1.363) 1.820 2.681 ( 2.280 -0.585 -2.398) 3.360 2.792 ( 0.349 -4.638 0.089) 4.652 2.958 ( 0.044 -5.431 -2.027) 5.797 2.976 ( -0.743 -6.349 -1.253) 6.514 3.092 ( -1.933 -1.716 -3.009) 3.967 3.163 ( -1.072 -7.269 1.344) 7.470 3.211 ( -0.078 -1.544 -0.027) 1.546 3.322 ( 1.316 -0.019 2.339) 2.684 3.337 ( -0.005 -0.326 1.146) 1.191 3.524 ( -0.091 -2.823 -2.112) 3.527 3.588 ( 1.027 -2.604 0.293) 2.815 3.628 ( 0.707 -5.783 -1.106) 5.930 3.672 ( -1.590 1.594 1.290) 2.595 3.735 ( -2.156 -9.808 1.980) 10.235 3.778 ( -0.961 -0.582 0.557) 1.254 3.874 ( 1.816 -10.185 -0.840) 10.380 4.012 ( 0.619 -2.751 -1.831) 3.362 4.412 ( 0.605 7.633 1.232) 7.755 4.439 ( 0.242 4.752 -0.074) 4.759 4.510 ( 1.431 5.255 -0.394) 5.461 4.543 ( -1.751 8.354 0.291) 8.540 5.034 ( 0.035 5.338 -0.422) 5.355 5.248 ( -0.435 4.898 0.642) 4.959 10.313 ( -0.595 -27.227 2.875) 27.385 10.403 ( 0.000 -31.684 -3.540) 31.882 14.781 ( -2.274 10.682 -3.651) 11.515 15.311 ( 2.642 21.651 2.107) 21.913 16.293 ( -0.073 8.599 1.013) 8.659 16.654 ( -0.579 17.161 1.776) 17.263 ======================= Grid point 350 (167/199) ======================= q-point: (-0.42 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.413 2.153 0.831) 2.345 1.050 ( 1.156 -9.439 1.081) 9.570 1.077 ( -0.818 -13.535 -0.962) 13.594 1.186 ( -2.347 -8.305 3.818) 9.437 1.223 ( 2.141 -3.747 0.003) 4.315 1.296 ( 2.649 -6.992 0.759) 7.516 1.360 ( 1.042 -6.306 -1.433) 6.550 1.397 ( -0.253 -3.197 -1.049) 3.374 1.445 ( -2.686 -4.261 -5.298) 7.311 1.599 ( 1.750 -3.832 0.673) 4.266 1.621 ( -2.517 -4.940 -0.594) 5.576 1.724 ( -0.889 -3.355 -0.077) 3.472 1.862 ( 0.330 -3.781 2.051) 4.314 1.901 ( -0.349 -2.318 0.178) 2.350 2.022 ( -0.281 -13.436 2.352) 13.643 2.325 ( 0.438 -1.382 0.285) 1.478 2.361 ( 0.504 -6.376 -0.053) 6.396 2.440 ( -0.086 -4.158 -1.479) 4.414 2.449 ( -0.373 -0.815 -0.622) 1.091 2.534 ( -0.400 -2.030 -1.521) 2.568 2.591 ( 1.260 -0.846 3.185) 3.528 2.673 ( -0.323 -1.274 -3.253) 3.509 2.756 ( 0.057 -8.750 0.085) 8.751 2.842 ( 0.870 0.457 -1.371) 1.687 3.003 ( 2.518 -0.179 4.506) 5.164 3.114 ( -0.529 -6.063 -0.839) 6.144 3.173 ( -0.990 -5.873 -4.038) 7.195 3.200 ( -0.394 1.481 -0.237) 1.551 3.296 ( -0.494 -5.026 0.748) 5.105 3.331 ( -1.217 -1.938 0.518) 2.346 3.374 ( -0.458 -2.103 -0.660) 2.251 3.572 ( -0.094 -2.266 1.615) 2.785 3.593 ( -0.612 0.298 0.743) 1.008 3.622 ( 1.004 1.351 -0.408) 1.732 3.722 ( 0.356 -2.610 -0.521) 2.685 3.807 ( -0.085 -3.021 0.198) 3.029 3.838 ( -0.902 -0.176 -0.562) 1.077 4.050 ( 0.859 -3.092 0.821) 3.313 4.123 ( -0.249 -6.408 0.611) 6.442 4.212 ( 0.532 8.195 -0.435) 8.224 4.363 ( -0.612 2.174 -1.008) 2.473 4.426 ( -2.425 2.266 2.196) 3.980 4.451 ( 2.683 1.965 -1.962) 3.861 4.954 ( 0.343 2.749 -0.060) 2.771 5.159 ( -0.219 4.036 0.620) 4.090 10.791 ( 0.140 -21.483 1.431) 21.531 10.955 ( -0.535 -23.582 -1.440) 23.632 14.551 ( -0.828 11.479 -1.408) 11.595 14.909 ( 1.058 19.032 1.015) 19.089 16.154 ( 0.327 5.288 0.218) 5.303 16.394 ( -0.536 9.129 0.490) 9.158 ======================= Grid point 351 (168/199) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.017 2.680 0.183) 2.687 1.183 ( -0.133 -3.263 0.352) 3.285 1.255 ( -0.208 -2.606 1.197) 2.875 1.279 ( 0.709 -3.085 -0.091) 3.167 1.355 ( 0.753 -9.136 -1.478) 9.285 1.440 ( -0.606 -4.300 -1.622) 4.635 1.459 ( -2.804 -3.744 -2.103) 5.129 1.521 ( 1.580 -9.704 1.561) 9.954 1.553 ( 0.343 -8.086 -1.184) 8.179 1.684 ( 1.202 -3.576 1.268) 3.980 1.700 ( -2.259 -4.394 1.028) 5.047 1.797 ( 0.346 -3.469 0.288) 3.498 1.912 ( 0.465 -0.796 -0.584) 1.091 1.968 ( 0.152 -3.730 0.291) 3.744 2.126 ( 0.175 0.990 2.458) 2.656 2.338 ( -0.218 1.853 -0.502) 1.932 2.359 ( 0.105 4.163 -0.655) 4.215 2.505 ( 0.273 0.100 -1.450) 1.479 2.530 ( 0.513 -2.225 -1.085) 2.528 2.597 ( 1.262 -9.527 2.814) 10.014 2.610 ( -0.108 -1.637 -0.099) 1.644 2.745 ( 0.011 -3.720 -0.575) 3.764 2.799 ( -1.134 0.532 -4.697) 4.861 2.967 ( 0.863 -9.079 0.792) 9.154 2.998 ( 2.931 0.556 4.068) 5.045 3.135 ( -1.848 3.076 -2.362) 4.296 3.214 ( -0.475 -2.065 0.699) 2.231 3.274 ( -0.519 -4.372 -0.884) 4.491 3.362 ( -0.101 -1.852 0.032) 1.855 3.375 ( -0.458 -3.463 1.299) 3.727 3.400 ( -1.275 -1.638 -2.087) 2.944 3.593 ( -0.971 -0.351 0.711) 1.253 3.631 ( -0.119 -2.788 0.919) 2.938 3.669 ( 1.260 -5.815 0.240) 5.955 3.753 ( -0.170 -0.709 -0.816) 1.094 3.805 ( -0.093 2.514 -0.123) 2.519 3.846 ( 0.131 -0.459 -0.028) 0.478 4.009 ( 0.340 6.594 0.181) 6.605 4.020 ( -0.178 3.859 0.635) 3.915 4.305 ( 0.477 -5.280 0.636) 5.339 4.367 ( -1.572 -1.840 0.991) 2.615 4.414 ( -0.539 -0.930 -0.020) 1.075 4.438 ( 1.612 -0.057 -1.758) 2.386 4.926 ( 0.748 0.151 0.273) 0.810 5.081 ( -0.374 3.820 0.133) 3.841 11.202 ( -0.876 -19.882 0.826) 19.918 11.340 ( 0.918 -15.112 -0.639) 15.153 14.322 ( -0.364 10.893 -0.514) 10.911 14.565 ( 0.327 15.719 0.326) 15.726 16.087 ( 0.051 1.630 0.080) 1.633 16.263 ( -0.081 4.597 0.082) 4.598 ======================= Grid point 352 (169/199) ======================= q-point: (-0.25 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.027 1.507 0.048) 1.508 1.205 ( 0.052 -0.027 -0.266) 0.272 1.304 ( -0.169 -0.531 0.428) 0.703 1.330 ( -0.146 -4.090 -0.687) 4.150 1.427 ( 1.345 -0.296 1.149) 1.794 1.465 ( -2.017 -0.567 -3.131) 3.767 1.596 ( 0.097 -3.621 0.768) 3.703 1.670 ( 0.083 -8.392 0.687) 8.421 1.727 ( 0.496 -4.554 0.393) 4.597 1.763 ( -1.486 -5.848 2.215) 6.427 1.795 ( 0.750 -5.615 -0.470) 5.684 1.846 ( 1.260 -0.785 0.409) 1.540 1.896 ( -0.753 2.234 -1.983) 3.081 2.031 ( 1.714 -1.552 2.999) 3.787 2.083 ( -1.816 2.262 -1.343) 3.197 2.258 ( -0.051 4.018 1.128) 4.174 2.276 ( -0.440 4.807 -1.022) 4.934 2.496 ( 0.466 -1.408 -3.086) 3.424 2.558 ( 0.548 -0.655 -1.175) 1.453 2.606 ( -0.200 -0.049 0.181) 0.275 2.694 ( 0.452 3.833 -1.807) 4.261 2.801 ( 1.724 -3.623 0.855) 4.102 2.859 ( 0.169 -1.683 0.521) 1.769 2.958 ( 0.378 0.538 -1.083) 1.267 3.068 ( -0.233 1.303 -0.607) 1.456 3.197 ( -0.398 -11.222 0.242) 11.231 3.213 ( -0.181 0.889 0.287) 0.952 3.332 ( -1.609 -1.642 0.539) 2.361 3.398 ( -0.306 -2.021 1.781) 2.711 3.448 ( 0.161 -2.872 0.553) 2.929 3.462 ( -0.036 -4.237 -0.779) 4.308 3.615 ( -0.327 -1.935 -0.033) 1.963 3.675 ( -0.185 -0.633 2.004) 2.110 3.722 ( -0.012 3.249 -0.860) 3.361 3.772 ( 0.783 -2.078 0.567) 2.292 3.781 ( -0.475 -0.819 -1.014) 1.387 3.830 ( 0.194 0.996 0.021) 1.015 3.931 ( -0.185 1.560 0.078) 1.573 3.956 ( 0.021 2.410 0.386) 2.441 4.355 ( -0.151 -0.866 0.816) 1.199 4.406 ( -0.410 -1.456 0.268) 1.536 4.431 ( 0.378 -0.752 -0.540) 1.000 4.453 ( 0.171 -0.614 -0.426) 0.767 4.950 ( 1.144 -1.832 0.562) 2.232 5.003 ( -0.849 3.734 -0.733) 3.899 11.528 ( -7.197 -9.505 0.376) 11.928 11.597 ( 7.598 -12.608 -0.178) 14.721 14.134 ( -0.101 7.090 -0.182) 7.093 14.296 ( -0.163 10.635 0.043) 10.636 16.084 ( 0.052 -1.112 0.043) 1.114 16.190 ( -0.062 3.063 -0.008) 3.064 ======================= Grid point 353 (170/199) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.012 -0.065 -0.031) 0.073 1.202 ( 0.129 0.115 -0.510) 0.539 1.307 ( -0.131 0.112 0.516) 0.544 1.402 ( -0.688 -2.388 -0.368) 2.512 1.442 ( 1.268 -0.028 0.855) 1.530 1.455 ( -0.167 -0.797 -1.851) 2.022 1.616 ( -0.563 0.124 1.671) 1.767 1.757 ( -0.576 0.685 1.638) 1.867 1.800 ( 1.180 2.077 -0.304) 2.408 1.822 ( -0.312 -0.738 0.068) 0.804 1.838 ( -0.424 1.198 -0.458) 1.351 1.859 ( 0.136 -1.617 0.415) 1.675 1.878 ( 0.147 -0.094 -1.156) 1.169 2.000 ( -0.480 3.047 1.181) 3.303 2.069 ( 0.065 -1.134 -0.571) 1.271 2.195 ( -0.223 1.111 0.346) 1.185 2.242 ( 0.081 -1.765 1.050) 2.055 2.543 ( 1.038 2.911 -2.746) 4.134 2.554 ( 0.179 -2.738 -2.892) 3.987 2.621 ( -1.927 -2.731 -1.647) 3.726 2.652 ( 2.835 -0.696 -0.045) 2.919 2.774 ( 1.970 4.430 3.036) 5.720 2.798 ( -2.222 5.062 -3.727) 6.667 3.018 ( 0.029 -4.568 -1.065) 4.690 3.051 ( 0.165 2.427 -0.822) 2.567 3.223 ( 0.346 -1.914 0.741) 2.081 3.311 ( -0.855 2.769 1.187) 3.132 3.404 ( -0.896 -6.316 1.240) 6.499 3.435 ( 0.654 -1.301 3.301) 3.608 3.473 ( -0.275 0.509 0.426) 0.719 3.526 ( -0.177 -1.932 -0.349) 1.972 3.611 ( -0.268 2.223 0.542) 2.303 3.667 ( -0.101 0.748 0.554) 0.936 3.681 ( 0.146 0.181 -0.513) 0.563 3.777 ( 0.084 -0.274 -0.242) 0.375 3.793 ( 0.113 0.138 -0.291) 0.341 3.825 ( -0.017 0.841 -0.252) 0.878 3.924 ( -0.027 -0.127 0.332) 0.357 3.927 ( -0.059 0.072 0.037) 0.100 4.366 ( -0.257 -0.295 0.889) 0.972 4.418 ( 0.120 -0.132 -0.550) 0.578 4.447 ( 0.103 -0.311 0.023) 0.328 4.452 ( -0.021 0.380 -0.130) 0.402 4.927 ( 0.051 3.219 -0.307) 3.234 4.999 ( 0.080 -2.394 -0.279) 2.412 11.554 ( 0.052 4.328 0.092) 4.329 11.815 ( -0.102 -5.401 0.093) 5.403 14.062 ( 0.093 -0.210 -0.070) 0.240 14.172 ( -0.054 0.935 -0.057) 0.938 16.122 ( -0.001 -2.218 -0.000) 2.218 16.133 ( -0.002 2.244 0.012) 2.244 ======================= Grid point 354 (171/199) ======================= q-point: (-0.08 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.088 -1.557 -0.012) 1.560 1.203 ( 0.175 -0.136 -0.420) 0.475 1.300 ( -0.043 0.703 0.584) 0.915 1.369 ( -0.064 4.379 -1.340) 4.580 1.449 ( -2.567 -0.595 -1.369) 2.969 1.515 ( 3.152 -2.885 0.912) 4.369 1.586 ( -0.651 4.024 0.997) 4.196 1.652 ( -0.637 8.098 1.980) 8.360 1.716 ( -0.977 6.046 0.454) 6.141 1.752 ( 0.918 6.905 -1.434) 7.112 1.797 ( 1.065 3.615 0.539) 3.807 1.822 ( -0.649 0.056 -0.651) 0.921 1.915 ( 0.262 -0.052 -0.583) 0.641 1.952 ( -0.608 1.184 1.269) 1.839 2.107 ( 0.452 -0.881 0.382) 1.062 2.245 ( -0.150 -4.839 0.916) 4.928 2.286 ( 0.729 -2.234 -0.330) 2.373 2.484 ( 1.473 1.850 -3.624) 4.328 2.578 ( -0.520 -0.068 -1.253) 1.358 2.651 ( -0.872 4.046 -0.373) 4.156 2.696 ( 0.893 1.820 -0.536) 2.097 2.708 ( -1.034 -1.766 -1.235) 2.390 2.742 ( 2.590 -3.402 1.111) 4.418 2.969 ( 0.252 5.146 -1.218) 5.294 3.108 ( -0.666 -4.293 -0.828) 4.423 3.196 ( -0.580 8.154 0.843) 8.218 3.252 ( 0.179 -0.231 0.506) 0.585 3.376 ( -0.057 5.013 0.083) 5.014 3.423 ( 0.085 2.488 1.932) 3.151 3.456 ( -1.827 2.704 2.158) 3.913 3.542 ( -1.216 -0.126 -0.296) 1.257 3.621 ( 0.347 2.130 -1.338) 2.539 3.641 ( 0.094 -0.873 1.322) 1.587 3.708 ( 0.778 -3.767 0.499) 3.879 3.745 ( 0.295 4.508 -0.852) 4.597 3.802 ( -0.192 1.497 -0.041) 1.510 3.812 ( 0.133 -2.687 -0.158) 2.695 3.924 ( 0.230 -0.885 -0.030) 0.915 3.959 ( -0.240 -2.569 0.532) 2.634 4.363 ( -0.395 0.818 0.873) 1.260 4.415 ( 0.341 0.618 -0.097) 0.713 4.429 ( -0.477 1.110 -0.283) 1.241 4.450 ( 0.272 0.849 -0.376) 0.967 4.883 ( 0.479 1.061 -0.169) 1.176 5.044 ( -0.150 -2.180 -0.158) 2.191 11.383 ( 2.644 12.592 0.207) 12.868 11.778 ( -3.855 8.289 -0.024) 9.141 14.140 ( 0.115 -7.123 -0.139) 7.125 14.268 ( 0.687 -9.895 0.010) 9.919 16.087 ( -0.165 1.569 0.092) 1.580 16.186 ( 0.166 -3.548 -0.056) 3.553 ======================= Grid point 360 (172/199) ======================= q-point: (-0.58 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -3.376 0.000 -3.456) 4.831 0.605 ( 4.622 -0.000 3.058) 5.542 0.671 ( -6.917 0.000 -5.068) 8.575 0.824 ( -4.748 0.000 1.649) 5.026 1.006 ( 6.291 -0.000 -1.414) 6.448 1.067 ( 0.326 -0.000 -1.537) 1.571 1.144 ( -0.004 0.000 1.422) 1.422 1.186 ( 0.241 -0.000 -1.749) 1.766 1.209 ( -7.177 0.000 -1.886) 7.421 1.388 ( -0.225 0.000 -0.056) 0.232 1.587 ( 1.164 -0.000 -1.210) 1.679 1.606 ( 5.726 -0.000 5.587) 8.000 1.705 ( 2.971 -0.000 5.866) 6.576 1.790 ( 2.099 -0.000 -0.869) 2.272 1.800 ( -1.838 0.000 0.849) 2.025 1.914 ( -1.076 0.000 -2.720) 2.925 1.948 ( 0.247 -0.000 1.058) 1.086 2.044 ( -0.039 0.000 -0.060) 0.071 2.357 ( 0.843 -0.000 0.828) 1.181 2.403 ( 0.688 -0.000 -1.344) 1.510 2.470 ( -1.855 0.000 -1.594) 2.446 2.498 ( -0.621 0.000 -0.843) 1.047 2.628 ( 1.169 -0.000 1.277) 1.731 2.749 ( -0.191 0.000 0.173) 0.258 2.788 ( 0.255 -0.000 0.145) 0.294 2.803 ( 0.781 -0.000 0.466) 0.910 2.950 ( -1.032 0.000 -1.086) 1.498 3.127 ( 0.680 -0.000 0.199) 0.708 3.208 ( -2.680 0.000 -0.282) 2.695 3.232 ( 0.061 -0.000 0.048) 0.078 3.273 ( -0.148 0.000 0.388) 0.415 3.338 ( 0.125 -0.000 -0.280) 0.307 3.342 ( -0.036 0.000 -0.169) 0.173 3.360 ( 0.886 -0.000 3.892) 3.992 3.505 ( -1.564 0.000 -3.026) 3.406 3.624 ( 1.575 -0.000 -3.742) 4.060 3.765 ( -0.287 0.000 1.344) 1.375 3.868 ( -4.188 0.000 1.467) 4.438 4.031 ( 2.049 -0.000 -0.575) 2.128 4.520 ( 4.077 -0.000 0.154) 4.080 4.569 ( -1.831 0.000 0.989) 2.081 4.704 ( -0.280 0.000 2.578) 2.593 4.800 ( -0.309 0.000 -2.125) 2.147 5.239 ( -2.344 0.000 -1.673) 2.880 5.410 ( 0.206 -0.000 1.075) 1.095 9.310 ( 2.171 -0.000 -0.023) 2.171 9.400 ( -2.155 0.000 0.024) 2.155 15.043 ( -5.511 0.000 -8.844) 10.420 15.924 ( 4.561 -0.000 -0.993) 4.668 16.592 ( -3.687 0.000 3.520) 5.097 17.325 ( 2.705 -0.000 8.192) 8.627 ======================= Grid point 361 (173/199) ======================= q-point: (-0.50 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -3.785 -9.377 -2.357) 10.383 0.664 ( -0.463 -5.686 0.660) 5.743 0.870 ( 1.326 -15.771 1.233) 15.875 0.931 ( -1.715 -4.823 4.445) 6.779 1.001 ( 0.075 -2.775 -3.908) 4.793 1.055 ( 5.741 -3.601 -1.635) 6.971 1.143 ( -5.103 1.069 -1.681) 5.478 1.236 ( -0.339 -4.031 -2.911) 4.983 1.288 ( -1.538 -8.262 3.202) 8.993 1.369 ( 0.119 0.934 -0.358) 1.007 1.539 ( -0.544 1.520 -1.709) 2.351 1.597 ( 1.195 0.576 1.128) 1.741 1.689 ( 4.267 1.251 6.034) 7.496 1.809 ( -3.517 0.866 -0.871) 3.725 1.869 ( 0.845 -1.383 0.718) 1.772 1.975 ( 0.124 -9.013 -2.130) 9.262 2.014 ( 0.221 -8.949 0.764) 8.984 2.188 ( 0.730 -9.959 0.540) 10.000 2.354 ( -0.068 -2.067 -0.501) 2.128 2.442 ( 1.274 0.136 -1.124) 1.705 2.555 ( 2.331 -4.710 1.390) 5.436 2.596 ( -0.995 -5.169 -0.207) 5.268 2.654 ( -1.028 -3.952 -2.107) 4.595 2.753 ( 2.049 0.896 1.360) 2.617 2.807 ( -0.465 -5.844 0.137) 5.864 2.863 ( -2.902 -3.951 -4.769) 6.840 3.017 ( 1.026 -6.334 0.626) 6.447 3.112 ( -1.238 2.474 0.558) 2.822 3.158 ( 0.209 -2.461 0.375) 2.498 3.315 ( 0.850 -1.774 -0.297) 1.989 3.353 ( 0.807 -0.072 5.648) 5.705 3.430 ( 0.219 -7.250 -0.389) 7.263 3.449 ( -0.059 -13.334 0.544) 13.345 3.461 ( -0.200 -9.171 -0.207) 9.176 3.516 ( -2.536 -2.811 -5.533) 6.704 3.661 ( -0.896 -4.082 -0.104) 4.181 3.751 ( 1.908 0.486 -1.331) 2.376 3.824 ( -1.809 2.807 2.008) 3.897 4.016 ( 1.489 1.478 -0.490) 2.154 4.503 ( 2.562 2.925 0.308) 3.901 4.529 ( -1.254 3.216 0.535) 3.493 4.643 ( 0.333 5.867 2.147) 6.256 4.711 ( -0.853 7.614 -1.447) 7.797 5.154 ( -0.880 6.223 -0.815) 6.337 5.350 ( -0.250 4.982 0.772) 5.048 9.696 ( 0.557 -31.518 0.070) 31.523 9.757 ( -0.075 -30.267 -1.255) 30.293 14.946 ( -3.776 6.786 -5.707) 9.637 15.740 ( 2.609 17.926 0.778) 18.131 16.477 ( -0.304 8.909 1.938) 9.122 17.068 ( 0.125 21.964 5.308) 22.597 ======================= Grid point 362 (174/199) ======================= q-point: (-0.42 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -2.013 -14.979 -0.346) 15.117 0.843 ( 1.279 -10.864 1.427) 11.032 0.965 ( 0.574 -4.110 1.607) 4.451 1.055 ( -3.354 -0.445 1.316) 3.630 1.117 ( 3.471 -6.553 0.897) 7.470 1.194 ( 3.066 -7.025 1.830) 7.880 1.245 ( 1.969 -7.546 -2.096) 8.075 1.316 ( -3.698 -5.943 -5.296) 8.777 1.365 ( 1.365 -0.948 -2.222) 2.774 1.469 ( -0.522 -8.607 1.986) 8.848 1.549 ( -1.029 -2.088 -0.303) 2.347 1.672 ( -0.955 -5.383 -0.197) 5.471 1.711 ( -0.970 -7.566 2.074) 7.905 1.803 ( -0.958 -1.933 1.023) 2.388 1.876 ( 0.201 -0.373 0.799) 0.904 2.186 ( 0.238 -10.435 -1.242) 10.511 2.236 ( -0.796 -11.235 1.081) 11.315 2.325 ( 1.159 -2.778 0.026) 3.010 2.434 ( -0.978 -4.670 -0.659) 4.816 2.473 ( 1.380 -2.557 -1.477) 3.259 2.569 ( 1.710 -0.618 2.403) 3.013 2.660 ( -2.600 0.164 0.059) 2.605 2.691 ( 2.187 -0.206 -3.400) 4.048 2.806 ( 2.414 -4.307 2.623) 5.591 2.948 ( -1.561 -5.984 -3.870) 7.295 2.971 ( -0.258 -9.206 -0.545) 9.226 3.071 ( -2.607 0.147 -0.918) 2.768 3.165 ( 0.962 -7.048 0.710) 7.149 3.211 ( 0.320 -1.150 -0.175) 1.206 3.335 ( 1.074 1.091 2.845) 3.231 3.338 ( 0.039 -0.567 -0.173) 0.594 3.519 ( -0.402 -3.142 -1.859) 3.673 3.591 ( -0.575 -3.069 0.710) 3.202 3.627 ( -0.397 -5.292 -0.714) 5.355 3.665 ( -0.886 0.100 1.301) 1.577 3.727 ( -1.041 -10.431 1.942) 10.662 3.776 ( -0.152 0.643 0.909) 1.123 3.888 ( 2.801 -10.831 -2.273) 11.416 4.012 ( 0.382 -1.776 -1.613) 2.429 4.418 ( 0.480 8.338 1.134) 8.428 4.439 ( -0.190 4.058 -0.217) 4.068 4.512 ( -1.004 6.670 0.363) 6.755 4.538 ( 0.821 7.102 -0.383) 7.160 5.033 ( 0.039 5.162 -0.399) 5.177 5.247 ( -0.384 4.846 0.757) 4.920 10.313 ( -0.802 -27.285 2.748) 27.434 10.402 ( 1.545 -31.497 -3.657) 31.747 14.762 ( -1.762 9.937 -2.257) 10.341 15.328 ( 1.133 22.010 1.197) 22.071 16.297 ( 0.791 8.604 0.331) 8.647 16.652 ( -1.080 17.358 2.231) 17.534 ======================= Grid point 363 (175/199) ======================= q-point: (-0.33 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -0.055 2.562 0.531) 2.617 1.058 ( 0.169 -12.462 0.152) 12.464 1.071 ( 0.251 -10.563 -0.287) 10.569 1.178 ( -1.798 -8.944 3.952) 9.942 1.236 ( 1.792 -3.028 -0.154) 3.522 1.312 ( 0.905 -7.013 -0.691) 7.105 1.367 ( 1.076 -4.940 -2.273) 5.543 1.385 ( -0.720 -3.226 -0.431) 3.334 1.433 ( 1.293 -4.989 -4.055) 6.557 1.601 ( -2.929 -4.500 0.311) 5.379 1.610 ( 0.995 -4.553 0.689) 4.711 1.719 ( -0.505 -3.565 0.392) 3.622 1.866 ( -0.059 -3.785 1.681) 4.142 1.901 ( 0.289 -2.140 0.112) 2.162 2.020 ( -1.310 -14.569 2.426) 14.827 2.328 ( 0.298 -1.427 -0.106) 1.462 2.362 ( -0.080 -6.727 0.024) 6.727 2.434 ( -0.567 0.049 -1.170) 1.301 2.448 ( 0.210 -4.374 -0.359) 4.394 2.530 ( -0.326 -2.100 -1.090) 2.388 2.606 ( 1.517 -0.574 3.211) 3.598 2.663 ( -0.931 -1.710 -3.910) 4.368 2.757 ( 0.603 -7.666 -0.198) 7.692 2.846 ( 0.579 0.513 -1.511) 1.697 3.028 ( 2.111 -0.479 4.379) 4.885 3.106 ( -0.929 -5.803 -2.028) 6.217 3.156 ( -1.787 -6.943 -2.865) 7.720 3.200 ( 0.413 1.172 -0.080) 1.246 3.296 ( 0.429 -5.193 0.542) 5.238 3.326 ( -0.643 -1.182 1.179) 1.789 3.373 ( 0.544 -1.553 -0.624) 1.759 3.571 ( -1.221 -1.713 1.990) 2.895 3.587 ( -0.895 -0.409 0.596) 1.151 3.630 ( 1.344 1.186 -0.710) 1.928 3.722 ( -0.013 -2.466 -0.583) 2.534 3.807 ( 0.013 -3.004 0.209) 3.011 3.834 ( -0.147 -0.494 -0.190) 0.550 4.056 ( 0.355 -2.037 0.340) 2.095 4.124 ( 0.275 -7.206 0.502) 7.229 4.216 ( 0.970 8.152 -0.885) 8.258 4.357 ( -1.021 2.690 -0.099) 2.878 4.414 ( -2.100 1.615 1.610) 3.100 4.466 ( 2.416 2.251 -1.799) 3.760 4.955 ( 0.134 2.627 -0.207) 2.639 5.159 ( -0.258 4.029 0.681) 4.094 10.788 ( -1.671 -21.414 1.651) 21.543 10.959 ( 2.474 -23.587 -1.787) 23.784 14.544 ( -0.817 11.181 -0.651) 11.229 14.916 ( 0.297 19.233 0.409) 19.240 16.156 ( 0.167 5.419 0.025) 5.422 16.393 ( -0.215 9.025 0.657) 9.052 ======================= Grid point 364 (176/199) ======================= q-point: (-0.25 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.018 2.659 0.172) 2.665 1.184 ( 0.412 -2.775 0.389) 2.833 1.257 ( 0.105 -3.012 0.964) 3.165 1.283 ( 0.429 -2.522 -0.274) 2.573 1.355 ( -0.056 -9.776 -2.155) 10.011 1.423 ( -2.202 -4.038 -0.769) 4.663 1.454 ( 0.825 -3.799 0.210) 3.893 1.536 ( 2.036 -10.057 0.814) 10.293 1.553 ( 0.260 -7.591 -1.666) 7.776 1.669 ( -3.691 -3.380 1.230) 5.153 1.709 ( 1.988 -4.689 1.509) 5.312 1.800 ( 0.532 -3.788 -0.098) 3.826 1.912 ( -0.045 -0.508 -0.831) 0.975 1.969 ( -0.194 -3.968 0.178) 3.976 2.128 ( -0.690 1.202 1.866) 2.324 2.333 ( -1.115 2.077 -0.165) 2.363 2.359 ( 0.226 4.019 -0.765) 4.097 2.503 ( -0.253 -0.081 -1.402) 1.427 2.534 ( 0.961 -2.023 -1.284) 2.582 2.605 ( -0.113 -12.000 1.128) 12.054 2.612 ( 0.535 0.218 0.538) 0.790 2.745 ( 0.288 -4.538 -0.517) 4.577 2.786 ( -0.505 1.412 -3.213) 3.546 2.969 ( -0.422 -9.851 -0.088) 9.860 3.021 ( 1.161 1.560 1.451) 2.426 3.124 ( 0.088 3.056 -0.728) 3.143 3.215 ( 0.391 -1.891 0.973) 2.162 3.267 ( -1.190 -4.144 -0.358) 4.326 3.362 ( 0.104 -1.932 0.281) 1.956 3.373 ( -0.340 -3.462 1.119) 3.654 3.398 ( 1.270 -1.740 -0.672) 2.256 3.586 ( -1.405 -0.726 1.043) 1.895 3.632 ( -0.194 -2.762 0.783) 2.877 3.676 ( 0.736 -5.578 -0.445) 5.644 3.751 ( -0.123 -0.619 -0.565) 0.847 3.805 ( 0.065 2.428 -0.027) 2.429 3.847 ( 0.094 -0.422 -0.117) 0.448 4.011 ( -0.040 6.830 -0.125) 6.831 4.021 ( 0.000 3.696 0.679) 3.757 4.311 ( 0.974 -4.964 0.213) 5.063 4.359 ( -1.659 -2.176 1.831) 3.292 4.410 ( -0.402 -1.241 -0.515) 1.402 4.446 ( 1.372 0.327 -1.641) 2.164 4.929 ( 0.099 -0.024 -0.354) 0.368 5.080 ( -0.193 3.931 0.403) 3.956 11.181 ( -4.718 -18.947 1.039) 19.554 11.365 ( 5.873 -16.005 -0.919) 17.074 14.318 ( -0.428 10.748 -0.143) 10.758 14.565 ( -0.283 15.832 0.018) 15.835 16.087 ( -0.098 1.622 0.045) 1.626 16.263 ( 0.109 4.623 0.111) 4.626 ======================= Grid point 365 (177/199) ======================= q-point: (-0.17 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.057 1.525 0.025) 1.526 1.204 ( 0.017 -0.032 -0.302) 0.304 1.303 ( -0.254 -0.526 0.493) 0.765 1.331 ( 0.727 -3.750 -0.083) 3.820 1.434 ( -0.085 -1.086 -1.047) 1.511 1.454 ( 0.272 -0.175 0.283) 0.430 1.597 ( -0.198 -3.710 0.463) 3.744 1.672 ( 0.290 -8.104 0.686) 8.138 1.728 ( -0.354 -4.168 0.487) 4.211 1.759 ( -0.484 -7.683 1.436) 7.831 1.797 ( -0.271 -4.280 -0.388) 4.307 1.855 ( 1.478 -0.895 -0.663) 1.851 1.888 ( -0.514 2.386 -0.956) 2.621 2.039 ( -0.789 -2.922 -0.020) 3.026 2.072 ( -0.570 3.594 0.985) 3.770 2.258 ( -0.521 3.611 1.053) 3.797 2.273 ( -0.122 4.967 -0.572) 5.001 2.494 ( 0.244 -1.468 -3.133) 3.468 2.561 ( 0.923 -0.544 -1.105) 1.540 2.607 ( 0.433 0.246 0.408) 0.643 2.693 ( 0.306 3.504 -1.725) 3.917 2.804 ( -0.726 -4.053 -1.770) 4.482 2.858 ( -0.591 -1.296 -0.202) 1.439 2.957 ( -0.112 0.750 -1.401) 1.593 3.070 ( 1.028 1.327 0.275) 1.701 3.191 ( -0.923 -8.895 0.384) 8.951 3.224 ( 1.992 -1.499 1.277) 2.801 3.322 ( -1.739 -1.757 1.497) 2.890 3.403 ( 0.431 -1.946 2.532) 3.222 3.448 ( -0.221 -3.241 -0.259) 3.259 3.467 ( 1.268 -3.772 0.212) 3.985 3.612 ( -0.402 -2.118 0.067) 2.156 3.676 ( -0.401 -0.894 1.725) 1.984 3.720 ( -0.320 3.557 -0.888) 3.681 3.775 ( -0.311 -2.121 -1.108) 2.413 3.779 ( 0.644 -0.747 0.568) 1.138 3.830 ( -0.104 0.991 -0.281) 1.035 3.930 ( -0.305 1.559 0.111) 1.592 3.957 ( 0.072 2.451 0.364) 2.479 4.356 ( -0.036 -0.798 0.864) 1.176 4.404 ( -0.295 -1.545 0.454) 1.637 4.433 ( 0.418 -0.829 -0.703) 1.164 4.454 ( 0.106 -0.479 -0.421) 0.647 4.950 ( -0.799 -1.860 -1.378) 2.449 5.002 ( 0.668 3.751 0.807) 3.894 11.479 ( -6.804 -11.331 0.494) 13.226 11.652 ( 7.913 -10.575 -0.330) 13.212 14.134 ( -0.048 6.989 -0.034) 6.990 14.293 ( -0.672 10.612 -0.076) 10.633 16.085 ( 0.126 -1.170 0.035) 1.177 16.189 ( -0.144 3.127 -0.003) 3.130 ======================= Grid point 366 (178/199) ======================= q-point: (-0.08 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.023 -0.032 -0.036) 0.054 1.202 ( 0.145 0.084 -0.499) 0.526 1.307 ( -0.137 0.051 0.512) 0.533 1.397 ( -0.648 -2.367 -0.172) 2.460 1.434 ( -1.130 1.571 -2.239) 2.959 1.470 ( 2.535 -2.295 1.330) 3.669 1.614 ( -0.764 0.242 1.485) 1.688 1.756 ( -0.397 1.333 1.715) 2.208 1.808 ( 1.286 2.164 -0.828) 2.650 1.818 ( -0.798 -1.018 -0.099) 1.298 1.832 ( -0.940 0.287 -0.297) 1.027 1.864 ( 0.882 -1.168 1.035) 1.793 1.878 ( 0.197 -0.171 -1.211) 1.238 1.997 ( -0.762 3.060 0.909) 3.282 2.069 ( 0.138 -1.400 -0.504) 1.494 2.194 ( -0.213 1.036 0.369) 1.120 2.244 ( -0.001 -1.861 0.991) 2.109 2.546 ( 0.930 1.981 -2.759) 3.521 2.549 ( 0.162 -1.428 -2.784) 3.133 2.609 ( -0.790 -2.335 -1.763) 3.031 2.671 ( 2.434 -1.369 0.534) 2.843 2.773 ( -2.878 4.952 -3.058) 6.493 2.794 ( 2.253 3.774 2.023) 4.839 3.016 ( -0.022 -4.083 -1.018) 4.208 3.050 ( 0.092 2.347 -0.879) 2.508 3.228 ( 0.693 -1.611 0.798) 1.926 3.310 ( -0.347 2.737 2.119) 3.479 3.388 ( -2.911 -5.250 -1.081) 6.100 3.451 ( 1.140 -2.420 4.147) 4.935 3.472 ( 0.032 0.971 0.253) 1.004 3.527 ( 0.410 -1.505 0.478) 1.631 3.609 ( -0.436 1.998 0.291) 2.066 3.667 ( -0.120 1.405 0.542) 1.511 3.681 ( 0.023 -0.847 -0.624) 1.052 3.775 ( -0.188 -0.262 -0.589) 0.671 3.796 ( 0.494 0.141 0.173) 0.542 3.824 ( -0.098 0.836 -0.343) 0.909 3.924 ( -0.030 -0.523 0.344) 0.627 3.927 ( -0.051 0.405 0.024) 0.408 4.365 ( -0.297 -0.201 0.887) 0.957 4.418 ( 0.141 -0.205 -0.542) 0.597 4.448 ( 0.125 0.021 0.027) 0.130 4.452 ( -0.026 0.125 -0.135) 0.185 4.927 ( 0.053 2.813 -0.301) 2.829 4.999 ( 0.072 -2.091 -0.289) 2.112 11.555 ( 0.046 2.414 0.089) 2.416 11.815 ( -0.096 -3.016 0.096) 3.019 14.063 ( 0.087 -0.200 -0.073) 0.230 14.171 ( -0.049 0.603 -0.054) 0.608 16.122 ( -0.002 -1.229 -0.000) 1.229 16.133 ( -0.001 1.246 0.012) 1.246 ======================= Grid point 373 (179/199) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( -6.205 0.000 -3.713) 7.231 0.625 ( -1.073 0.000 3.166) 3.343 0.645 ( 1.001 -0.000 -2.889) 3.058 0.806 ( -0.490 0.000 1.737) 1.804 1.044 ( 4.181 -0.000 -2.467) 4.854 1.068 ( 0.590 -0.000 -1.651) 1.754 1.139 ( -1.725 0.000 -0.621) 1.833 1.160 ( -6.066 0.000 3.785) 7.150 1.186 ( 0.492 -0.000 -1.823) 1.888 1.384 ( -0.882 0.000 0.421) 0.978 1.588 ( 0.607 -0.000 -3.003) 3.064 1.641 ( 2.167 -0.000 2.136) 3.043 1.743 ( 4.037 -0.000 9.246) 10.089 1.787 ( -1.999 0.000 0.681) 2.111 1.803 ( 1.912 -0.000 -0.642) 2.016 1.896 ( -2.054 0.000 -4.535) 4.979 1.956 ( 1.767 -0.000 -0.149) 1.774 2.044 ( 0.025 -0.000 -0.057) 0.062 2.363 ( 0.448 -0.000 0.575) 0.729 2.401 ( -0.514 0.000 -0.963) 1.092 2.462 ( 0.671 -0.000 -1.659) 1.789 2.493 ( -0.487 0.000 -0.574) 0.753 2.638 ( 0.966 -0.000 0.678) 1.180 2.749 ( -0.012 0.000 0.158) 0.159 2.789 ( 0.031 -0.000 0.113) 0.118 2.809 ( 0.579 -0.000 0.816) 1.001 2.944 ( 0.154 -0.000 -1.770) 1.776 3.130 ( 0.123 -0.000 0.238) 0.268 3.190 ( -2.239 0.000 0.710) 2.349 3.233 ( -0.009 0.000 0.048) 0.049 3.272 ( -0.076 0.000 0.375) 0.382 3.338 ( -0.138 0.000 -0.135) 0.193 3.343 ( 0.226 -0.000 -0.300) 0.375 3.371 ( 0.410 -0.000 4.117) 4.137 3.489 ( -1.321 0.000 -3.063) 3.336 3.622 ( -0.389 0.000 -3.087) 3.111 3.769 ( 0.568 -0.000 0.514) 0.767 3.851 ( -1.058 0.000 2.673) 2.875 4.040 ( 1.178 -0.000 -1.518) 1.922 4.545 ( 1.804 -0.000 0.229) 1.819 4.559 ( -0.467 0.000 0.008) 0.467 4.708 ( 0.293 -0.000 2.413) 2.431 4.792 ( -1.042 0.000 -1.354) 1.708 5.224 ( -1.214 0.000 -0.783) 1.444 5.412 ( -0.042 0.000 0.875) 0.876 9.319 ( 0.093 -0.000 -0.068) 0.115 9.391 ( -0.091 0.000 0.067) 0.113 14.998 ( -3.746 0.000 -5.725) 6.842 15.942 ( 0.980 -0.000 -1.234) 1.576 16.587 ( 0.835 -0.000 2.307) 2.454 17.353 ( 1.805 -0.000 6.370) 6.621 ======================= Grid point 374 (180/199) ======================= q-point: (-0.42 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -3.822 -10.678 0.228) 11.344 0.671 ( 1.637 -5.818 0.574) 6.071 0.856 ( -4.479 -13.261 2.248) 14.176 0.953 ( 4.813 -10.500 2.576) 11.834 0.993 ( -0.413 -0.796 -3.582) 3.693 1.076 ( -2.118 -3.404 -3.977) 5.647 1.121 ( 2.198 0.412 1.639) 2.773 1.230 ( 0.140 -3.339 -2.575) 4.219 1.283 ( -1.502 -8.706 3.572) 9.529 1.368 ( -0.176 0.486 -0.371) 0.636 1.530 ( -1.066 1.700 -1.316) 2.400 1.602 ( -0.038 2.031 -0.014) 2.031 1.725 ( 2.567 2.184 6.067) 6.940 1.783 ( -2.905 0.534 -0.982) 3.113 1.878 ( 1.520 -1.161 0.041) 1.913 1.972 ( -0.097 -9.275 -2.097) 9.510 2.017 ( 0.316 -8.653 0.530) 8.675 2.193 ( 0.553 -9.992 0.001) 10.008 2.351 ( -0.524 -1.872 -0.201) 1.954 2.452 ( 2.320 -0.125 -2.175) 3.182 2.562 ( -1.378 -8.637 -0.523) 8.761 2.597 ( 1.899 -0.791 2.875) 3.535 2.647 ( 0.147 -4.493 -3.955) 5.987 2.775 ( 2.803 0.269 3.151) 4.226 2.801 ( -1.308 -4.810 -0.516) 5.012 2.837 ( -1.977 -3.644 -4.248) 5.936 3.024 ( 0.797 -6.566 -0.116) 6.615 3.107 ( -0.417 2.855 1.051) 3.071 3.161 ( 0.301 -3.133 0.183) 3.152 3.318 ( 0.297 -1.941 -0.661) 2.072 3.368 ( 0.752 -0.348 5.952) 6.009 3.429 ( -0.134 -8.062 -0.389) 8.073 3.452 ( 0.644 -12.289 0.104) 12.307 3.458 ( -0.504 -9.040 -0.045) 9.054 3.490 ( -2.271 -2.856 -4.597) 5.869 3.650 ( -2.161 -3.259 0.886) 4.010 3.761 ( 1.298 -0.317 -2.411) 2.756 3.828 ( 2.122 2.312 2.093) 3.772 4.022 ( 0.675 1.487 -1.308) 2.092 4.507 ( -1.552 3.147 0.061) 3.510 4.530 ( 1.703 3.283 0.141) 3.701 4.651 ( 0.883 5.738 1.879) 6.102 4.701 ( -1.218 7.585 -0.916) 7.737 5.149 ( -0.268 5.876 -0.323) 5.891 5.349 ( -0.266 5.106 0.815) 5.177 9.699 ( 0.402 -31.322 -0.147) 31.325 9.759 ( 1.383 -30.601 -1.623) 30.675 14.918 ( -2.214 6.171 -2.816) 7.135 15.749 ( -0.299 17.672 -0.068) 17.675 16.488 ( 2.577 8.991 0.751) 9.383 17.073 ( -1.422 22.975 5.014) 23.558 ======================= Grid point 375 (181/199) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -1.901 -15.153 1.172) 15.317 0.852 ( 0.630 -11.194 0.626) 11.230 0.974 ( 1.380 -5.303 1.149) 5.598 1.024 ( -5.199 -0.523 1.238) 5.370 1.148 ( 5.080 -5.624 -0.663) 7.607 1.215 ( 1.252 -8.248 0.980) 8.400 1.256 ( 1.149 -5.382 -4.184) 6.913 1.286 ( -1.041 -6.548 -1.679) 6.840 1.373 ( 2.153 -1.471 -2.914) 3.910 1.468 ( -0.897 -8.392 2.082) 8.693 1.541 ( -1.310 -1.839 0.567) 2.328 1.657 ( -2.700 -7.660 0.330) 8.129 1.711 ( -0.455 -4.670 2.359) 5.252 1.800 ( -0.347 -2.577 1.621) 3.064 1.882 ( 1.331 -0.116 0.584) 1.458 2.184 ( -0.278 -10.491 -1.182) 10.561 2.233 ( -0.806 -10.758 1.271) 10.863 2.332 ( 0.972 -3.370 -0.664) 3.570 2.425 ( -1.235 -4.440 -0.130) 4.611 2.482 ( 1.846 -2.043 -1.881) 3.334 2.583 ( 1.249 -0.579 0.994) 1.698 2.641 ( -2.449 -0.054 0.314) 2.469 2.702 ( 2.738 -0.269 -3.211) 4.228 2.823 ( 0.611 -3.221 0.963) 3.417 2.931 ( -1.051 -9.009 -2.404) 9.384 2.970 ( 0.090 -8.887 -0.313) 8.893 3.056 ( -1.694 1.274 0.926) 2.313 3.176 ( 1.767 -6.720 0.193) 6.951 3.214 ( 0.518 -0.969 -0.305) 1.140 3.335 ( -0.614 0.335 0.131) 0.712 3.348 ( 1.517 0.686 1.297) 2.110 3.512 ( -0.903 -3.589 -1.372) 3.947 3.582 ( -2.210 -2.677 0.815) 3.566 3.622 ( -0.630 -5.636 -0.230) 5.676 3.664 ( -0.174 -1.202 1.416) 1.865 3.727 ( 0.058 -10.498 2.335) 10.754 3.778 ( 0.084 1.063 1.190) 1.598 3.906 ( 3.895 -10.582 -3.905) 11.933 4.011 ( -0.039 -1.125 -1.609) 1.964 4.423 ( 0.377 8.513 0.797) 8.559 4.435 ( -0.752 3.361 -0.233) 3.452 4.501 ( -1.979 8.686 0.381) 8.917 4.549 ( 1.960 5.620 -0.270) 5.958 5.033 ( 0.051 5.111 -0.360) 5.124 5.246 ( -0.285 4.834 0.911) 4.928 10.312 ( -0.922 -26.984 2.757) 27.140 10.412 ( 2.931 -31.594 -4.118) 31.996 14.750 ( -0.955 9.595 -0.489) 9.655 15.331 ( -0.500 21.921 0.103) 21.927 16.305 ( 1.432 9.121 -0.191) 9.235 16.647 ( -1.449 17.103 2.559) 17.354 ======================= Grid point 376 (182/199) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.668 2.479 0.386) 2.596 1.052 ( -1.313 -14.503 -0.213) 14.564 1.082 ( 2.159 -8.783 -0.274) 9.049 1.173 ( -1.363 -9.128 3.531) 9.882 1.249 ( 1.812 -2.764 0.086) 3.307 1.298 ( -3.184 -4.927 -3.830) 7.006 1.363 ( 0.167 -5.975 -2.331) 6.416 1.403 ( 3.558 -4.175 2.030) 5.849 1.441 ( 2.800 -4.312 -3.758) 6.368 1.581 ( -3.203 -3.846 0.721) 5.057 1.617 ( 0.516 -5.525 1.180) 5.673 1.719 ( -0.001 -3.812 0.900) 3.917 1.867 ( -0.400 -3.700 1.227) 3.918 1.905 ( 0.727 -2.021 0.204) 2.158 2.012 ( -2.129 -14.626 2.546) 14.998 2.328 ( -0.064 -1.749 -0.629) 1.859 2.360 ( -0.585 -6.772 0.074) 6.797 2.430 ( -0.255 1.137 -0.491) 1.264 2.449 ( 0.340 -5.127 -0.370) 5.152 2.526 ( -0.270 -1.854 -0.675) 1.992 2.620 ( 0.877 0.196 2.395) 2.558 2.650 ( -0.401 -3.145 -3.457) 4.691 2.764 ( 1.346 -6.924 -0.193) 7.057 2.843 ( -0.486 0.693 -2.106) 2.270 3.039 ( -0.850 0.066 0.735) 1.125 3.101 ( 0.825 -6.316 -0.409) 6.382 3.142 ( -1.212 -7.425 -0.792) 7.565 3.204 ( 0.911 0.981 0.028) 1.339 3.303 ( 0.971 -4.956 0.605) 5.087 3.325 ( -0.198 -0.957 1.552) 1.834 3.379 ( 1.487 -1.629 -0.592) 2.283 3.560 ( -2.786 -0.738 2.095) 3.563 3.585 ( 0.083 -1.814 0.139) 1.821 3.637 ( 0.905 1.330 -0.713) 1.760 3.720 ( -0.342 -2.472 -0.567) 2.559 3.807 ( 0.066 -2.877 0.192) 2.884 3.836 ( 0.643 -0.552 0.327) 0.908 4.056 ( -0.218 -1.687 -0.270) 1.722 4.129 ( 0.629 -6.660 0.517) 6.710 4.222 ( 1.361 7.439 -1.357) 7.683 4.349 ( -1.364 3.079 0.871) 3.479 4.403 ( -1.581 1.005 0.808) 2.040 4.478 ( 1.999 2.534 -1.547) 3.579 4.955 ( -0.092 2.618 -0.380) 2.647 5.158 ( -0.272 4.035 0.749) 4.113 10.776 ( -2.516 -20.752 1.756) 20.977 10.981 ( 4.325 -24.199 -2.060) 24.669 14.538 ( -0.624 11.087 0.222) 11.106 14.915 ( -0.506 19.231 -0.279) 19.239 16.157 ( -0.068 5.618 -0.068) 5.619 16.394 ( 0.149 8.890 0.733) 8.921 ======================= Grid point 377 (183/199) ======================= q-point: (-0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.034 2.580 0.173) 2.586 1.189 ( 0.707 -2.048 0.397) 2.203 1.260 ( 0.435 -4.254 -0.193) 4.281 1.284 ( -0.007 -2.169 -0.290) 2.188 1.349 ( -0.416 -8.101 -1.468) 8.243 1.412 ( -1.074 -7.999 0.083) 8.072 1.465 ( 1.657 -1.462 1.757) 2.824 1.551 ( 0.639 -9.068 -2.819) 9.518 1.551 ( 1.212 -8.478 1.029) 8.626 1.646 ( -3.092 -3.392 1.325) 4.777 1.724 ( 1.335 -4.471 1.736) 4.978 1.805 ( 0.858 -4.126 -0.504) 4.245 1.909 ( -0.573 -0.287 -1.031) 1.214 1.967 ( -0.424 -3.532 0.050) 3.557 2.123 ( -1.619 0.732 1.280) 2.190 2.324 ( -1.284 1.992 0.126) 2.374 2.359 ( 0.080 4.173 -0.767) 4.244 2.498 ( -0.456 0.002 -1.425) 1.496 2.538 ( 0.910 -2.117 -1.397) 2.694 2.600 ( -1.498 -11.835 -0.344) 11.934 2.618 ( 0.977 0.040 0.216) 1.001 2.748 ( 0.795 -4.285 -0.244) 4.365 2.781 ( 0.274 1.321 -1.311) 1.881 2.959 ( -2.157 -8.170 -0.971) 8.505 3.018 ( -0.827 0.231 -2.201) 2.362 3.136 ( 2.693 2.664 1.863) 4.221 3.222 ( 1.062 -2.130 1.192) 2.662 3.257 ( -1.424 -4.012 0.243) 4.265 3.363 ( -0.277 -2.263 0.903) 2.452 3.376 ( 0.627 -3.096 1.139) 3.358 3.413 ( 2.896 -1.667 0.446) 3.371 3.577 ( -1.650 -1.216 1.168) 2.359 3.631 ( -0.308 -2.657 0.651) 2.753 3.678 ( 0.170 -5.299 -1.261) 5.449 3.750 ( 0.043 -0.767 -0.160) 0.785 3.806 ( 0.163 2.574 0.074) 2.580 3.847 ( 0.045 -0.337 -0.214) 0.402 4.009 ( -0.311 6.828 -0.269) 6.840 4.022 ( 0.034 3.678 0.589) 3.725 4.319 ( 1.410 -4.502 -0.228) 4.723 4.350 ( -1.734 -2.618 2.531) 4.033 4.407 ( -0.160 -1.467 -0.910) 1.734 4.452 ( 1.013 0.623 -1.481) 1.899 4.927 ( -0.554 0.093 -0.993) 1.141 5.080 ( 0.018 3.813 0.668) 3.871 11.148 ( -5.058 -17.812 1.052) 18.546 11.410 ( 7.014 -17.069 -1.005) 18.481 14.316 ( -0.384 10.632 0.246) 10.642 14.561 ( -0.809 15.908 -0.303) 15.931 16.086 ( -0.227 1.536 0.038) 1.553 16.265 ( 0.267 4.755 0.113) 4.764 ======================= Grid point 378 (184/199) ======================= q-point: (-0.08 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.081 1.549 0.002) 1.551 1.204 ( -0.006 -0.021 -0.351) 0.352 1.302 ( -0.283 -0.495 0.542) 0.787 1.339 ( 1.556 -3.326 0.445) 3.698 1.426 ( -0.708 -1.621 -2.459) 3.029 1.465 ( 1.555 0.166 2.901) 3.296 1.595 ( -0.486 -3.819 0.336) 3.865 1.676 ( 0.462 -7.648 0.637) 7.688 1.724 ( -0.950 -5.133 0.592) 5.253 1.760 ( 0.181 -8.217 0.257) 8.223 1.791 ( -0.998 -2.933 0.012) 3.098 1.861 ( 0.554 0.294 -2.615) 2.689 1.888 ( 0.573 1.013 0.826) 1.427 2.023 ( -2.643 -2.059 -2.141) 3.977 2.077 ( 0.519 2.609 2.600) 3.720 2.255 ( -0.726 3.634 0.928) 3.820 2.272 ( -0.011 4.501 -0.054) 4.502 2.489 ( 0.147 -1.592 -3.279) 3.648 2.567 ( 1.232 -0.289 -1.045) 1.641 2.613 ( 0.969 0.364 0.622) 1.207 2.692 ( 0.101 3.014 -1.552) 3.391 2.788 ( -2.185 -5.159 -3.392) 6.549 2.847 ( -2.385 1.627 -1.828) 3.417 2.955 ( 0.430 -2.246 -0.933) 2.470 3.081 ( 1.646 2.648 0.441) 3.149 3.188 ( -0.072 -8.869 0.881) 8.913 3.240 ( 1.872 -1.219 1.355) 2.613 3.316 ( -0.762 -1.877 2.827) 3.478 3.410 ( 0.209 -2.136 3.089) 3.761 3.446 ( 0.137 -3.269 -0.302) 3.285 3.479 ( 2.003 -3.257 0.725) 3.891 3.610 ( -0.364 -2.335 0.074) 2.364 3.675 ( -0.546 -1.163 1.399) 1.900 3.715 ( -0.630 4.016 -0.884) 4.160 3.770 ( -0.518 -1.555 -1.333) 2.113 3.785 ( 0.788 -1.547 0.660) 1.857 3.827 ( -0.342 1.181 -0.556) 1.349 3.928 ( -0.327 1.469 0.100) 1.508 3.958 ( 0.057 2.504 0.390) 2.534 4.357 ( 0.028 -0.718 0.938) 1.181 4.403 ( -0.119 -1.565 0.567) 1.669 4.435 ( 0.456 -0.925 -0.862) 1.344 4.453 ( -0.031 -0.367 -0.383) 0.531 4.937 ( -1.802 -1.219 -2.357) 3.208 5.012 ( 1.313 2.998 1.418) 3.567 11.436 ( -5.636 -12.055 0.518) 13.317 11.704 ( 7.151 -9.507 -0.386) 11.903 14.133 ( 0.011 6.899 0.113) 6.900 14.287 ( -0.995 10.500 -0.195) 10.549 16.086 ( 0.165 -1.281 0.034) 1.292 16.188 ( -0.189 3.247 -0.004) 3.252 ======================= Grid point 386 (185/199) ======================= q-point: (-0.42 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -4.006 0.000 2.062) 4.505 0.601 ( -6.752 0.000 3.528) 7.618 0.667 ( 6.017 -0.000 -2.882) 6.672 0.823 ( 3.795 -0.000 1.576) 4.109 1.032 ( -6.180 0.000 -3.391) 7.049 1.070 ( 0.801 -0.000 -1.605) 1.794 1.137 ( -2.410 0.000 2.575) 3.527 1.143 ( 2.562 -0.000 4.078) 4.816 1.187 ( 0.727 -0.000 -1.883) 2.018 1.378 ( -1.078 0.000 0.435) 1.162 1.587 ( 0.346 -0.000 -2.698) 2.720 1.646 ( -1.023 0.000 -0.222) 1.047 1.774 ( -2.089 0.000 0.761) 2.223 1.785 ( 3.230 -0.000 9.010) 9.571 1.815 ( 1.671 -0.000 -0.677) 1.803 1.870 ( -2.705 0.000 -6.697) 7.222 1.971 ( 2.917 -0.000 -0.850) 3.039 2.045 ( 0.048 -0.000 -0.068) 0.083 2.365 ( -0.035 0.000 0.140) 0.144 2.394 ( -0.994 0.000 -0.524) 1.124 2.472 ( 2.633 -0.000 -1.703) 3.135 2.489 ( -0.232 0.000 -0.108) 0.256 2.643 ( 0.445 -0.000 -0.154) 0.471 2.750 ( 0.169 -0.000 0.136) 0.217 2.789 ( -0.205 0.000 0.071) 0.217 2.811 ( -0.382 0.000 0.332) 0.506 2.949 ( 2.154 -0.000 -1.565) 2.662 3.128 ( -1.073 0.000 0.030) 1.073 3.181 ( -0.942 0.000 2.266) 2.454 3.232 ( -0.080 0.000 0.045) 0.092 3.273 ( -0.011 0.000 0.373) 0.373 3.336 ( -0.197 0.000 -0.119) 0.230 3.344 ( 0.289 -0.000 -0.311) 0.425 3.378 ( -0.514 0.000 3.651) 3.687 3.478 ( -0.591 0.000 -2.137) 2.217 3.610 ( -1.543 0.000 -2.145) 2.642 3.770 ( -0.299 0.000 0.078) 0.309 3.866 ( 3.629 -0.000 3.026) 4.725 4.041 ( -0.043 0.000 -2.336) 2.337 4.534 ( -2.927 0.000 -0.806) 3.035 4.574 ( 2.775 -0.000 0.067) 2.776 4.717 ( 1.237 -0.000 1.987) 2.341 4.780 ( -1.817 0.000 -0.606) 1.915 5.220 ( 0.070 -0.000 0.284) 0.293 5.412 ( -0.241 0.000 0.752) 0.790 9.311 ( -2.072 0.000 -0.103) 2.075 9.399 ( 2.060 -0.000 0.101) 2.062 14.973 ( -1.520 0.000 -1.708) 2.287 15.934 ( -2.382 0.000 -1.621) 2.881 16.610 ( 4.880 -0.000 1.115) 5.006 17.371 ( 0.787 -0.000 3.738) 3.820 ======================= Grid point 387 (186/199) ======================= q-point: (-0.33 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -1.822 -11.137 4.152) 12.025 0.682 ( 0.619 -5.909 1.231) 6.067 0.833 ( -2.201 -12.749 1.521) 13.026 0.976 ( -1.191 -3.794 -1.770) 4.352 0.997 ( 4.091 -8.977 1.010) 9.917 1.035 ( -5.159 -2.158 -2.782) 6.246 1.159 ( 6.132 -0.758 0.888) 6.242 1.228 ( 0.421 -2.830 -2.192) 3.605 1.278 ( -1.555 -9.082 3.578) 9.885 1.366 ( -0.297 -0.049 -0.573) 0.647 1.521 ( -1.116 2.168 -0.545) 2.499 1.597 ( -1.334 2.005 -0.491) 2.458 1.729 ( -3.081 2.863 -0.167) 4.209 1.780 ( 1.514 0.331 3.846) 4.146 1.890 ( 1.908 -1.381 -0.696) 2.456 1.967 ( -0.246 -9.521 -1.889) 9.710 2.021 ( 0.358 -8.033 0.449) 8.053 2.196 ( 0.357 -9.899 -0.632) 9.925 2.347 ( -0.673 -1.665 0.021) 1.796 2.465 ( 2.742 -0.284 -3.005) 4.078 2.545 ( -2.620 -8.712 -0.128) 9.098 2.615 ( 0.500 1.773 0.623) 1.945 2.650 ( 3.347 -6.989 -2.272) 8.075 2.777 ( -2.920 -0.556 -2.305) 3.762 2.809 ( 3.195 -2.345 3.895) 5.557 2.824 ( -0.205 -4.993 -2.160) 5.444 3.027 ( 0.489 -5.488 -0.852) 5.575 3.110 ( 0.679 1.749 1.661) 2.506 3.162 ( 0.048 -3.361 -0.209) 3.368 3.316 ( -0.363 -1.748 -1.030) 2.062 3.382 ( 0.353 -1.233 5.487) 5.635 3.425 ( -0.939 -7.297 -1.743) 7.561 3.451 ( -0.825 -8.748 -0.032) 8.787 3.462 ( 1.349 -11.698 -0.167) 11.776 3.472 ( -1.005 -3.443 -1.437) 3.864 3.637 ( -1.925 -3.340 1.376) 4.093 3.762 ( 0.128 -0.358 -1.482) 1.530 3.858 ( 5.357 2.098 0.190) 5.756 4.021 ( -0.381 1.318 -1.954) 2.388 4.491 ( -2.813 2.738 -0.647) 3.978 4.544 ( 1.702 3.834 0.298) 4.206 4.661 ( 1.365 5.915 1.015) 6.155 4.691 ( -1.492 7.193 0.028) 7.346 5.150 ( 0.381 5.911 0.263) 5.929 5.349 ( -0.233 5.107 0.876) 5.187 9.701 ( 0.307 -31.676 -0.498) 31.682 9.771 ( 2.613 -30.652 -2.250) 30.845 14.907 ( -0.219 5.973 0.549) 6.002 15.736 ( -2.981 17.114 -1.086) 17.406 16.515 ( 5.018 9.821 -0.171) 11.030 17.065 ( -3.156 23.671 4.528) 24.306 ======================= Grid point 388 (187/199) ======================= q-point: (-0.25 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -1.495 -15.000 2.801) 15.333 0.853 ( -0.740 -11.487 0.396) 11.518 0.987 ( 1.888 -3.817 -1.267) 4.443 0.992 ( -4.060 -3.386 2.092) 5.686 1.182 ( 4.397 -3.939 -1.093) 6.004 1.207 ( -2.597 -9.788 -4.255) 10.984 1.245 ( -0.084 -1.984 -2.454) 3.157 1.304 ( 3.593 -8.393 1.458) 9.246 1.385 ( 2.910 -2.118 -3.174) 4.798 1.464 ( -1.226 -8.073 2.132) 8.439 1.533 ( -1.486 -2.049 1.422) 2.903 1.637 ( -3.255 -7.352 0.981) 8.100 1.713 ( 0.082 -5.353 2.474) 5.898 1.803 ( -0.003 -2.221 2.146) 3.089 1.895 ( 1.888 0.030 0.461) 1.944 2.178 ( -0.648 -10.379 -0.978) 10.446 2.229 ( -0.768 -10.377 1.162) 10.470 2.337 ( 0.843 -4.037 -1.297) 4.323 2.416 ( -1.222 -4.217 0.259) 4.398 2.492 ( 1.888 -1.653 -2.065) 3.250 2.587 ( -0.088 -0.827 -1.191) 1.452 2.630 ( -1.351 -0.117 1.537) 2.049 2.717 ( 2.618 0.197 -3.041) 4.018 2.814 ( -2.059 -3.961 -2.252) 5.000 2.931 ( 1.222 -8.587 0.897) 8.719 2.971 ( 0.416 -8.575 -0.046) 8.585 3.050 ( -0.911 1.095 1.877) 2.356 3.190 ( 2.063 -6.422 0.158) 6.747 3.218 ( 0.693 -0.943 -0.270) 1.201 3.330 ( -0.864 -0.101 -0.703) 1.119 3.360 ( 1.561 1.126 0.481) 1.984 3.501 ( -2.003 -4.036 -0.469) 4.530 3.567 ( -2.253 -2.374 0.618) 3.331 3.617 ( -0.869 -6.182 -0.040) 6.243 3.668 ( 0.646 -1.601 1.750) 2.459 3.735 ( 0.941 -10.275 2.937) 10.728 3.779 ( -0.232 0.778 1.461) 1.672 3.928 ( 4.649 -9.666 -5.685) 12.140 4.006 ( -0.648 -0.849 -1.554) 1.885 4.424 ( -0.779 5.004 -0.443) 5.084 4.431 ( -0.146 6.044 0.642) 6.080 4.488 ( -1.859 9.684 0.212) 9.863 4.563 ( 1.916 5.282 0.049) 5.619 5.033 ( 0.072 5.200 -0.313) 5.210 5.246 ( -0.165 4.868 1.062) 4.986 10.310 ( -0.865 -26.495 2.899) 26.667 10.428 ( 3.732 -31.845 -4.815) 32.423 14.748 ( 0.103 9.712 1.358) 9.807 15.321 ( -1.996 21.429 -1.041) 21.547 16.316 ( 1.687 10.086 -0.422) 10.235 16.641 ( -1.595 16.395 2.674) 16.688 ======================= Grid point 389 (188/199) ======================= q-point: (-0.17 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -1.116 1.864 0.521) 2.234 1.043 ( -1.096 -14.064 -0.143) 14.107 1.097 ( 2.287 -9.812 -0.942) 10.119 1.170 ( -1.182 -8.531 2.856) 9.074 1.260 ( 0.116 -4.147 -4.110) 5.840 1.267 ( -2.062 -2.911 0.041) 3.568 1.362 ( 0.434 -6.968 -1.864) 7.226 1.427 ( 2.501 -4.344 -0.390) 5.028 1.461 ( 3.700 -3.039 -1.170) 4.929 1.561 ( -2.579 -3.842 0.761) 4.689 1.623 ( 0.642 -6.120 1.865) 6.429 1.722 ( 0.429 -3.950 1.301) 4.181 1.865 ( -0.721 -3.560 0.657) 3.691 1.912 ( 0.873 -2.081 0.494) 2.310 1.999 ( -2.688 -13.541 2.559) 14.040 2.324 ( -0.708 -2.477 -0.936) 2.741 2.356 ( -0.441 -6.334 0.018) 6.349 2.429 ( 0.037 1.214 0.016) 1.214 2.452 ( 0.500 -5.149 -0.395) 5.189 2.524 ( -0.183 -1.409 -0.214) 1.437 2.620 ( -1.109 -0.036 -1.115) 1.573 2.653 ( 1.797 -3.774 -0.218) 4.186 2.771 ( 0.497 -7.081 -1.115) 7.186 2.834 ( -0.699 1.249 -1.651) 2.185 3.023 ( -2.382 -0.140 -2.408) 3.390 3.114 ( 2.091 -6.040 1.137) 6.492 3.135 ( -0.720 -7.238 0.550) 7.294 3.212 ( 1.100 0.866 0.210) 1.415 3.307 ( -0.239 -3.689 0.443) 3.723 3.332 ( 1.381 -1.962 2.209) 3.261 3.392 ( 2.287 -2.240 -0.485) 3.237 3.541 ( -3.330 -0.828 1.709) 3.834 3.588 ( 0.412 -2.175 -0.033) 2.214 3.640 ( 0.395 1.590 -0.644) 1.760 3.716 ( -0.524 -2.610 -0.462) 2.702 3.808 ( 0.120 -2.762 0.172) 2.770 3.843 ( 1.160 -0.300 0.811) 1.447 4.052 ( -0.596 -1.993 -0.789) 2.225 4.134 ( 0.529 -4.936 0.512) 4.990 4.230 ( 1.631 6.116 -1.662) 6.544 4.341 ( -1.465 3.281 1.519) 3.901 4.394 ( -1.006 0.511 0.053) 1.129 4.488 ( 1.477 2.814 -1.215) 3.403 4.953 ( -0.277 2.725 -0.534) 2.791 5.157 ( -0.259 4.051 0.805) 4.138 10.761 ( -2.416 -19.929 1.785) 20.155 11.010 ( 4.767 -24.994 -2.256) 25.545 14.536 ( -0.258 11.217 1.035) 11.267 14.908 ( -1.177 19.031 -0.921) 19.090 16.155 ( -0.301 5.825 -0.034) 5.832 16.397 ( 0.446 8.767 0.695) 8.806 ======================= Grid point 390 (189/199) ======================= q-point: (-0.08 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.064 2.463 0.184) 2.471 1.195 ( 0.661 -1.274 0.353) 1.478 1.260 ( 0.224 -6.255 -2.165) 6.623 1.282 ( -0.333 -1.978 -0.005) 2.006 1.350 ( 1.019 -6.082 0.709) 6.208 1.406 ( -0.577 -10.454 -0.025) 10.470 1.481 ( 1.710 -0.509 2.968) 3.463 1.546 ( -0.517 -6.954 -2.366) 7.364 1.559 ( 0.294 -10.572 0.237) 10.579 1.634 ( -0.748 -3.071 1.038) 3.326 1.734 ( 0.614 -4.043 1.904) 4.511 1.811 ( 1.158 -4.549 -0.886) 4.777 1.901 ( -1.121 -0.122 -1.251) 1.684 1.963 ( -0.484 -2.624 -0.040) 2.669 2.110 ( -2.367 -0.312 0.860) 2.538 2.316 ( -1.038 1.919 0.399) 2.218 2.358 ( 0.045 4.320 -0.735) 4.383 2.492 ( -0.432 0.319 -1.497) 1.590 2.541 ( 0.486 -2.364 -1.487) 2.834 2.585 ( -2.222 -10.785 -1.457) 11.108 2.627 ( 1.445 -0.681 0.064) 1.599 2.753 ( 0.673 -2.155 -0.813) 2.400 2.785 ( 0.822 -0.394 0.595) 1.089 2.935 ( -3.571 -5.155 -2.055) 6.600 3.011 ( -0.059 -2.806 -2.364) 3.669 3.160 ( 2.881 2.378 1.821) 4.156 3.232 ( 1.115 -2.359 0.741) 2.713 3.249 ( -1.249 -4.265 1.060) 4.569 3.361 ( -0.754 -2.889 1.195) 3.216 3.386 ( 1.407 -2.409 1.393) 3.119 3.439 ( 3.918 -1.475 1.783) 4.550 3.568 ( -1.637 -1.806 1.077) 2.665 3.629 ( -0.448 -2.546 0.524) 2.638 3.675 ( -0.324 -4.887 -1.989) 5.287 3.751 ( 0.265 -1.154 0.199) 1.201 3.808 ( 0.171 2.939 0.153) 2.948 3.846 ( -0.010 -0.224 -0.298) 0.373 4.006 ( -0.451 6.813 -0.330) 6.836 4.023 ( -0.040 3.578 0.498) 3.613 4.330 ( 1.680 -3.642 -0.691) 4.070 4.343 ( -1.729 -3.446 3.029) 4.903 4.405 ( 0.120 -1.629 -1.163) 2.005 4.455 ( 0.565 0.857 -1.265) 1.629 4.919 ( -1.001 0.437 -1.436) 1.804 5.082 ( 0.163 3.528 0.817) 3.625 11.117 ( -4.165 -16.970 1.019) 17.503 11.456 ( 6.395 -17.828 -1.032) 18.968 14.314 ( -0.225 10.575 0.570) 10.593 14.553 ( -1.130 15.928 -0.574) 15.978 16.084 ( -0.299 1.399 0.061) 1.432 16.267 ( 0.347 4.952 0.089) 4.965 ======================= Grid point 399 (190/199) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 1.601 -0.000 9.019) 9.160 0.551 ( -8.817 0.000 4.051) 9.704 0.714 ( 8.485 -0.000 -2.559) 8.862 0.856 ( 4.717 -0.000 1.238) 4.877 0.969 ( -9.734 0.000 -0.056) 9.734 1.073 ( 0.956 -0.000 -1.407) 1.702 1.119 ( -3.716 0.000 3.088) 4.831 1.183 ( 5.680 -0.000 2.490) 6.202 1.189 ( 0.874 -0.000 -1.911) 2.102 1.371 ( -0.949 0.000 0.048) 0.950 1.583 ( -0.440 0.000 -2.090) 2.136 1.629 ( -3.294 0.000 -1.772) 3.740 1.760 ( -1.979 0.000 0.739) 2.113 1.817 ( 1.962 -0.000 6.750) 7.030 1.824 ( 1.328 -0.000 -0.633) 1.471 1.837 ( -3.136 0.000 -7.741) 8.352 1.993 ( 3.577 -0.000 -1.277) 3.798 2.045 ( 0.088 -0.000 -0.057) 0.105 2.363 ( -0.586 0.000 -0.391) 0.704 2.387 ( -1.059 0.000 -0.264) 1.091 2.489 ( 0.145 -0.000 0.440) 0.463 2.490 ( 3.251 -0.000 -1.658) 3.650 2.644 ( 0.142 -0.000 -0.945) 0.955 2.752 ( 0.321 -0.000 0.108) 0.339 2.787 ( -0.423 0.000 0.028) 0.424 2.805 ( -1.194 0.000 -0.386) 1.255 2.968 ( 3.998 -0.000 -1.140) 4.158 3.116 ( -2.152 0.000 0.233) 2.164 3.184 ( 0.343 -0.000 3.513) 3.529 3.232 ( -0.127 0.000 0.042) 0.134 3.273 ( 0.028 -0.000 0.382) 0.383 3.335 ( -0.164 0.000 -0.154) 0.225 3.346 ( 0.265 -0.000 -0.280) 0.386 3.375 ( -1.987 0.000 2.250) 3.001 3.476 ( 0.693 -0.000 -0.023) 0.693 3.596 ( -1.601 0.000 -1.596) 2.260 3.768 ( -0.171 0.000 0.738) 0.757 3.906 ( 6.357 -0.000 1.781) 6.602 4.032 ( -1.398 0.000 -2.602) 2.954 4.509 ( -3.633 0.000 -1.492) 3.928 4.591 ( 2.124 -0.000 0.154) 2.130 4.731 ( 2.099 -0.000 1.107) 2.373 4.765 ( -2.519 0.000 0.116) 2.521 5.226 ( 1.226 -0.000 1.373) 1.841 5.411 ( -0.317 0.000 0.659) 0.731 9.294 ( -2.628 0.000 -0.110) 2.631 9.416 ( 2.604 -0.000 0.107) 2.607 14.973 ( 1.378 -0.000 2.709) 3.039 15.904 ( -5.266 0.000 -2.286) 5.741 16.657 ( 8.230 -0.000 0.277) 8.234 17.374 ( -1.052 0.000 0.483) 1.157 ======================= Grid point 400 (191/199) ======================= q-point: (-0.25 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.459 -10.089 7.499) 12.579 0.679 ( -2.570 -7.328 3.130) 8.373 0.836 ( 2.709 -10.832 -0.446) 11.175 0.950 ( -5.464 -4.577 0.037) 7.128 0.993 ( -2.435 -2.166 -2.208) 3.936 1.042 ( 4.727 -9.143 0.689) 10.315 1.201 ( 5.224 -0.556 -0.623) 5.290 1.229 ( 0.590 -2.579 -1.113) 2.870 1.274 ( -1.249 -9.354 3.531) 10.076 1.362 ( -0.263 -0.615 -1.000) 1.203 1.513 ( -1.129 2.470 0.054) 2.716 1.583 ( -2.203 1.314 -0.450) 2.605 1.698 ( -4.184 1.972 -3.277) 5.669 1.801 ( 1.810 1.054 5.061) 5.477 1.902 ( 1.875 -1.986 -1.434) 3.085 1.962 ( -0.350 -9.837 -1.468) 9.952 2.024 ( 0.377 -7.089 0.497) 7.116 2.196 ( 0.200 -9.673 -1.249) 9.755 2.342 ( -0.677 -1.492 0.143) 1.645 2.479 ( 2.567 -0.546 -3.386) 4.284 2.529 ( -2.003 -8.170 0.326) 8.418 2.605 ( -2.056 0.247 -2.775) 3.462 2.683 ( 5.485 -5.997 0.386) 8.136 2.751 ( -2.881 0.805 -2.732) 4.051 2.823 ( 0.432 -5.432 -1.267) 5.595 2.839 ( 3.159 -3.197 4.357) 6.260 3.028 ( 0.423 -3.631 -1.391) 3.911 3.119 ( 0.714 -0.669 1.413) 1.718 3.163 ( 0.397 -2.761 0.078) 2.791 3.309 ( -1.023 -1.246 -1.199) 2.009 3.391 ( -0.416 -3.083 4.467) 5.444 3.409 ( -1.896 -4.318 -3.868) 6.099 3.444 ( -0.937 -8.578 0.139) 8.630 3.468 ( 0.406 -9.484 1.136) 9.560 3.477 ( 2.114 -6.569 0.856) 6.954 3.630 ( -0.782 -4.169 1.592) 4.531 3.761 ( 0.151 -0.102 -0.343) 0.388 3.898 ( 6.203 2.523 -2.257) 7.067 4.011 ( -1.452 1.022 -2.071) 2.728 4.468 ( -3.169 2.276 -1.091) 4.052 4.555 ( 1.247 4.249 0.512) 4.458 4.668 ( -0.313 7.234 -1.367) 7.369 4.686 ( 0.163 5.655 2.277) 6.098 5.155 ( 0.911 6.296 0.819) 6.414 5.349 ( -0.148 5.012 0.903) 5.095 9.702 ( 0.385 -32.257 -0.848) 32.271 9.787 ( 3.177 -30.617 -3.113) 30.938 14.918 ( 2.252 6.314 3.865) 7.737 15.704 ( -5.175 16.318 -2.252) 17.266 16.556 ( 6.745 11.360 -0.674) 13.229 17.043 ( -5.093 23.713 4.009) 24.583 ======================= Grid point 401 (192/199) ======================= q-point: (-0.17 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -0.830 -14.518 4.332) 15.173 0.843 ( -2.355 -11.792 0.924) 12.060 0.967 ( -2.610 -0.782 -0.435) 2.759 1.004 ( 2.477 -7.210 -0.660) 7.652 1.162 ( -4.333 -6.694 -8.108) 11.372 1.218 ( 3.616 -3.562 1.170) 5.209 1.247 ( 1.126 -4.105 -1.224) 4.429 1.329 ( 2.977 -7.980 0.951) 8.571 1.403 ( 3.601 -2.921 -3.065) 5.559 1.458 ( -1.411 -7.587 2.102) 7.998 1.525 ( -1.629 -2.569 2.006) 3.644 1.616 ( -3.309 -7.346 1.150) 8.138 1.722 ( 1.038 -6.727 2.821) 7.368 1.807 ( 0.136 -1.319 2.476) 2.809 1.909 ( 1.853 0.104 0.456) 1.911 2.172 ( -0.724 -10.128 -0.675) 10.177 2.226 ( -0.727 -10.057 0.838) 10.118 2.340 ( 0.745 -4.801 -1.863) 5.204 2.409 ( -1.155 -4.061 0.598) 4.264 2.501 ( 1.669 -1.389 -2.119) 3.034 2.581 ( -0.665 -0.755 -1.769) 2.035 2.625 ( -0.988 -0.928 1.419) 1.962 2.719 ( -0.744 0.490 -4.668) 4.752 2.804 ( 0.811 -4.293 -0.737) 4.431 2.942 ( 1.016 -6.905 0.781) 7.023 2.976 ( 1.036 -7.775 0.431) 7.855 3.049 ( -0.390 -0.082 2.463) 2.495 3.205 ( 1.873 -5.664 0.405) 5.979 3.223 ( 1.036 -1.326 0.087) 1.685 3.321 ( -1.118 -0.916 -1.235) 1.901 3.371 ( 1.438 1.194 -1.002) 2.120 3.482 ( -3.145 -4.072 0.820) 5.210 3.556 ( -1.045 -2.591 0.209) 2.802 3.610 ( -0.992 -6.421 0.022) 6.498 3.678 ( 1.231 -1.272 2.202) 2.825 3.749 ( 1.399 -9.865 3.625) 10.603 3.779 ( -0.578 0.125 1.571) 1.679 3.950 ( 4.543 -8.477 -7.730) 12.339 3.997 ( -1.187 -1.052 -1.035) 1.894 4.413 ( -1.623 2.142 -0.657) 2.766 4.434 ( 0.530 8.163 0.527) 8.198 4.476 ( -1.646 10.069 0.106) 10.203 4.575 ( 1.555 5.335 0.345) 5.568 5.033 ( 0.098 5.404 -0.269) 5.412 5.247 ( -0.057 4.943 1.165) 5.079 10.310 ( -0.763 -26.000 3.117) 26.197 10.446 ( 3.834 -32.125 -5.554) 32.827 14.756 ( 1.311 10.325 2.955) 10.819 15.300 ( -3.117 20.599 -2.085) 20.937 16.326 ( 1.428 11.320 -0.262) 11.412 16.634 ( -1.424 15.340 2.508) 15.608 ======================= Grid point 402 (193/199) ======================= q-point: (-0.08 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -1.223 1.077 0.857) 1.841 1.036 ( -0.647 -13.312 -0.309) 13.331 1.108 ( 1.390 -11.931 -1.185) 12.070 1.166 ( -0.835 -6.771 1.906) 7.084 1.231 ( -2.794 -5.554 -5.423) 8.250 1.278 ( 1.694 -2.314 1.824) 3.398 1.361 ( 0.019 -7.142 -1.568) 7.312 1.440 ( 2.276 -3.831 -2.673) 5.197 1.478 ( 0.242 -2.032 1.580) 2.585 1.553 ( 0.441 -4.966 -0.141) 4.987 1.634 ( 1.432 -6.340 2.630) 7.011 1.729 ( 0.815 -3.722 1.617) 4.139 1.859 ( -1.134 -3.440 -0.064) 3.623 1.919 ( 0.750 -2.470 1.004) 2.770 1.984 ( -2.886 -11.422 2.358) 12.015 2.317 ( -1.040 -3.269 -0.702) 3.501 2.354 ( -0.114 -5.848 -0.415) 5.864 2.430 ( 0.107 0.809 0.409) 0.913 2.455 ( 0.734 -4.759 -0.565) 4.848 2.523 ( -0.037 -0.754 0.343) 0.829 2.609 ( -0.924 -1.311 -1.945) 2.521 2.667 ( 1.984 -3.532 0.376) 4.068 2.760 ( -2.646 -6.980 -3.683) 8.324 2.835 ( 1.253 1.149 0.853) 1.902 3.003 ( -1.844 -0.014 -2.888) 3.427 3.125 ( 0.357 -7.159 -0.845) 7.218 3.138 ( 0.973 -5.557 2.412) 6.135 3.220 ( 1.067 0.724 0.432) 1.360 3.303 ( -1.059 -2.806 0.363) 3.021 3.349 ( 2.115 -2.596 2.520) 4.191 3.409 ( 2.580 -3.332 -0.238) 4.221 3.521 ( -3.149 -1.228 1.301) 3.621 3.590 ( 0.448 -2.105 -0.251) 2.167 3.640 ( 0.016 1.908 -0.468) 1.964 3.711 ( -0.540 -2.847 -0.304) 2.914 3.810 ( 0.149 -2.670 0.120) 2.676 3.854 ( 1.319 0.165 1.164) 1.767 4.046 ( -0.777 -2.610 -1.116) 2.943 4.137 ( 0.147 -2.829 0.452) 2.869 4.239 ( 1.461 4.585 -1.526) 5.048 4.334 ( -1.018 3.294 1.432) 3.734 4.389 ( -0.499 0.147 -0.453) 0.690 4.495 ( 0.859 3.085 -0.805) 3.302 4.949 ( -0.371 2.921 -0.625) 3.010 5.157 ( -0.223 4.075 0.832) 4.165 10.749 ( -1.887 -19.205 1.775) 19.379 11.038 ( 4.169 -25.724 -2.366) 26.167 14.538 ( 0.224 11.557 1.616) 11.671 14.896 ( -1.574 18.666 -1.391) 18.784 16.153 ( -0.465 5.977 0.111) 5.996 16.402 ( 0.590 8.697 0.560) 8.735 ======================= Grid point 412 (194/199) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 5.777 -0.000 12.294) 13.584 0.496 ( -8.712 0.000 4.669) 9.884 0.774 ( 9.311 -0.000 -0.588) 9.330 0.889 ( 4.032 -0.000 0.758) 4.102 0.904 ( -9.135 0.000 2.724) 9.533 1.078 ( 0.990 -0.000 -1.080) 1.465 1.097 ( -3.964 0.000 2.345) 4.606 1.192 ( 0.888 -0.000 -1.893) 2.091 1.225 ( 4.986 -0.000 1.975) 5.363 1.364 ( -0.800 0.000 -0.805) 1.135 1.573 ( -1.557 0.000 -1.410) 2.100 1.597 ( -4.472 0.000 -3.020) 5.396 1.749 ( -1.654 0.000 0.649) 1.777 1.797 ( -3.284 0.000 -10.554) 11.053 1.831 ( 0.937 -0.000 -0.548) 1.085 1.840 ( 1.009 -0.000 6.896) 6.970 2.016 ( 3.574 -0.000 -1.500) 3.876 2.046 ( 0.176 -0.000 -0.010) 0.176 2.356 ( -1.069 0.000 -0.835) 1.356 2.378 ( -1.356 0.000 -0.073) 1.358 2.493 ( 0.529 -0.000 0.870) 1.018 2.509 ( 2.645 -0.000 -1.775) 3.186 2.644 ( 0.456 -0.000 -1.449) 1.519 2.754 ( 0.427 -0.000 0.077) 0.434 2.783 ( -0.591 0.000 -0.002) 0.591 2.796 ( -1.117 0.000 -0.444) 1.202 2.997 ( 4.682 -0.000 -1.449) 4.901 3.100 ( -2.612 0.000 0.746) 2.716 3.196 ( 1.130 -0.000 4.345) 4.489 3.231 ( -0.140 0.000 0.038) 0.145 3.274 ( 0.029 -0.000 0.400) 0.401 3.333 ( -0.096 0.000 -0.209) 0.230 3.347 ( 0.209 -0.000 -0.239) 0.318 3.359 ( -3.052 0.000 1.135) 3.256 3.487 ( 1.739 -0.000 1.746) 2.465 3.584 ( -1.138 0.000 -1.536) 1.912 3.772 ( 0.555 -0.000 1.793) 1.877 3.955 ( 6.725 -0.000 -0.780) 6.770 4.015 ( -2.195 0.000 -1.804) 2.841 4.480 ( -3.737 0.000 -1.805) 4.150 4.605 ( 1.613 -0.000 0.477) 1.682 4.743 ( -1.362 0.000 -1.919) 2.354 4.751 ( 0.855 -0.000 2.550) 2.690 5.240 ( 2.062 -0.000 2.315) 3.100 5.410 ( -0.251 0.000 0.457) 0.522 9.276 ( -2.370 0.000 -0.108) 2.372 9.434 ( 2.341 -0.000 0.103) 2.344 15.003 ( 5.042 -0.000 6.607) 8.312 15.854 ( -7.412 0.000 -3.228) 8.085 16.724 ( 10.665 -0.000 0.018) 10.665 17.354 ( -4.372 0.000 -2.772) 5.177 ======================= Grid point 413 (195/199) ======================= q-point: (-0.17 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 1.711 -8.312 9.352) 12.629 0.661 ( -4.177 -8.726 4.514) 10.675 0.864 ( 5.518 -8.183 -1.683) 10.012 0.910 ( -5.754 -6.631 1.780) 8.957 0.979 ( -0.741 0.006 -2.388) 2.500 1.073 ( 3.641 -9.836 0.908) 10.528 1.219 ( 0.699 -2.013 -2.558) 3.330 1.240 ( 2.348 -1.916 0.739) 3.119 1.276 ( 0.200 -8.554 3.418) 9.214 1.359 ( 0.012 -1.326 -1.481) 1.988 1.505 ( -1.139 2.360 0.151) 2.625 1.566 ( -2.621 0.776 0.098) 2.735 1.663 ( -3.670 0.828 -4.809) 6.106 1.820 ( 1.363 1.202 4.646) 4.989 1.910 ( 1.351 -2.953 -2.259) 3.956 1.958 ( -0.284 -10.126 -0.697) 10.154 2.027 ( 0.282 -6.009 0.609) 6.046 2.194 ( 0.006 -9.323 -1.737) 9.483 2.338 ( -0.623 -1.382 0.221) 1.532 2.489 ( 1.734 -1.760 -2.740) 3.689 2.519 ( -0.793 -6.701 -0.121) 6.749 2.582 ( -2.851 -0.428 -3.250) 4.344 2.719 ( 3.733 -4.579 -1.271) 6.043 2.731 ( -0.773 0.344 -0.469) 0.968 2.826 ( 0.837 -5.361 -0.878) 5.496 2.867 ( 2.712 -4.259 4.175) 6.552 3.029 ( 0.566 -1.788 -1.801) 2.601 3.120 ( -1.001 -4.161 -0.395) 4.298 3.172 ( 1.978 -0.865 1.870) 2.857 3.299 ( -1.480 -0.550 -0.958) 1.847 3.381 ( -3.225 -3.890 -0.880) 5.129 3.399 ( 0.289 -3.329 -0.113) 3.343 3.439 ( -0.513 -8.311 0.249) 8.331 3.473 ( 0.401 -10.613 1.133) 10.681 3.496 ( 2.588 -5.312 1.829) 6.186 3.632 ( 0.398 -5.566 1.782) 5.858 3.763 ( 0.512 0.449 0.820) 1.066 3.932 ( 4.723 3.199 -4.892) 7.515 3.996 ( -1.558 0.841 -1.548) 2.352 4.444 ( -2.965 1.811 -1.265) 3.697 4.564 ( 1.001 4.552 0.856) 4.738 4.656 ( -1.939 7.232 -1.210) 7.585 4.697 ( 1.510 5.444 1.834) 5.940 5.165 ( 1.211 6.944 1.220) 7.154 5.350 ( -0.055 4.858 0.843) 4.931 9.704 ( 0.424 -32.835 -1.112) 32.856 9.803 ( 3.009 -30.574 -3.991) 30.980 14.952 ( 4.988 7.333 6.391) 10.931 15.658 ( -6.591 15.338 -3.434) 17.044 16.605 ( 7.334 13.633 -0.625) 15.493 17.007 ( -6.850 22.579 3.629) 23.873 ======================= Grid point 414 (196/199) ======================= q-point: (-0.08 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.069 -13.848 5.537) 14.914 0.825 ( -3.408 -11.911 2.030) 12.554 0.953 ( -1.161 -1.071 -0.926) 1.831 1.019 ( 2.350 -7.470 -1.819) 8.040 1.117 ( -4.261 -5.759 -8.997) 11.501 1.237 ( 0.830 -3.974 1.711) 4.406 1.258 ( 2.665 -3.448 -1.190) 4.517 1.349 ( 2.449 -7.539 0.967) 7.986 1.425 ( 3.965 -3.233 -3.255) 6.064 1.451 ( -1.791 -6.531 1.927) 7.041 1.516 ( -1.689 -3.575 2.078) 4.466 1.597 ( -2.662 -8.611 1.367) 9.116 1.736 ( 1.562 -7.877 2.740) 8.485 1.813 ( 0.299 -0.156 2.739) 2.759 1.921 ( 1.394 0.095 0.498) 1.483 2.167 ( -0.471 -9.831 -0.319) 9.847 2.222 ( -0.628 -9.765 0.371) 9.792 2.340 ( 0.422 -5.624 -2.241) 6.069 2.403 ( -0.902 -4.021 0.851) 4.207 2.508 ( 1.228 -1.295 -2.030) 2.702 2.574 ( -0.449 -0.307 -1.233) 1.348 2.618 ( -1.526 -2.552 0.431) 3.005 2.696 ( -2.600 0.251 -5.171) 5.793 2.821 ( 3.447 -2.687 1.115) 4.510 2.946 ( 0.162 -6.623 -0.285) 6.631 2.985 ( 1.137 -5.414 0.135) 5.533 3.052 ( 0.103 -1.999 2.821) 3.459 3.216 ( 1.273 -3.849 0.596) 4.098 3.233 ( 1.387 -2.334 0.825) 2.837 3.310 ( -1.390 -2.365 -1.484) 3.119 3.375 ( 0.585 0.504 -2.726) 2.833 3.464 ( -2.470 -3.266 1.890) 4.510 3.552 ( -0.103 -3.020 -0.049) 3.022 3.604 ( -0.915 -6.467 0.060) 6.532 3.692 ( 1.482 -0.341 2.681) 3.082 3.765 ( 1.055 -8.165 4.131) 9.211 3.778 ( -0.416 -1.961 1.664) 2.606 3.959 ( 1.510 -5.756 -8.675) 10.520 3.991 ( 0.525 -3.277 -1.197) 3.528 4.401 ( -1.557 1.414 -0.560) 2.177 4.439 ( 0.808 8.494 0.116) 8.533 4.465 ( -1.484 9.881 0.146) 9.993 4.585 ( 1.012 5.556 0.594) 5.678 5.033 ( 0.122 5.670 -0.239) 5.677 5.249 ( 0.007 5.040 1.192) 5.179 10.310 ( -0.721 -25.610 3.350) 25.839 10.461 ( 3.270 -32.389 -6.124) 33.124 14.775 ( 2.435 11.410 3.936) 12.313 15.272 ( -3.629 19.526 -2.822) 20.059 16.334 ( 0.643 12.490 0.302) 12.510 16.630 ( -0.906 14.214 2.050) 14.390 ======================= Grid point 425 (197/199) ======================= q-point: (-0.17 -0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -7.150 0.000 5.249) 8.870 0.481 ( 5.637 -0.000 11.385) 12.704 0.832 ( 1.724 -0.000 9.181) 9.341 0.866 ( 1.840 -0.000 -1.656) 2.476 0.914 ( 2.832 -0.000 0.228) 2.841 1.073 ( -3.596 0.000 1.730) 3.990 1.083 ( 0.791 -0.000 -0.684) 1.046 1.195 ( 0.771 -0.000 -1.824) 1.980 1.255 ( 2.561 -0.000 1.573) 3.006 1.356 ( -0.765 0.000 -2.398) 2.518 1.554 ( -3.360 0.000 -2.579) 4.236 1.563 ( -3.020 0.000 -1.778) 3.505 1.740 ( -1.107 0.000 0.492) 1.212 1.755 ( -3.598 0.000 -10.621) 11.214 1.835 ( 0.525 -0.000 -0.424) 0.675 1.857 ( 0.918 -0.000 5.407) 5.484 2.036 ( 2.690 -0.000 -1.465) 3.063 2.047 ( 0.261 -0.000 0.050) 0.266 2.346 ( -1.270 0.000 -1.025) 1.632 2.367 ( -1.624 0.000 0.152) 1.631 2.499 ( 0.745 -0.000 1.028) 1.270 2.520 ( 1.436 -0.000 -2.071) 2.520 2.647 ( 1.012 -0.000 -1.559) 1.859 2.758 ( 0.477 -0.000 0.049) 0.479 2.779 ( -0.678 0.000 -0.010) 0.678 2.789 ( -0.580 0.000 -0.136) 0.596 3.026 ( 3.982 -0.000 -2.130) 4.516 3.083 ( -2.405 0.000 1.212) 2.693 3.214 ( 1.724 -0.000 4.816) 5.115 3.230 ( -0.118 0.000 0.035) 0.124 3.275 ( -0.004 0.000 0.422) 0.422 3.333 ( -0.012 0.000 -0.271) 0.272 3.338 ( -3.303 0.000 0.799) 3.398 3.348 ( 0.137 -0.000 -0.196) 0.239 3.504 ( 2.219 -0.000 2.210) 3.132 3.575 ( -0.696 0.000 -1.712) 1.848 3.782 ( 1.261 -0.000 2.930) 3.190 3.974 ( -1.809 0.000 -2.116) 2.784 4.016 ( 4.594 -0.000 -2.045) 5.029 4.452 ( -3.141 0.000 -1.827) 3.634 4.616 ( 1.372 -0.000 1.147) 1.788 4.722 ( -3.161 0.000 -0.497) 3.200 4.768 ( 2.359 -0.000 0.262) 2.374 5.261 ( 2.464 -0.000 2.923) 3.823 5.409 ( -0.158 0.000 0.002) 0.158 9.261 ( -1.744 0.000 -0.100) 1.746 9.449 ( 1.718 -0.000 0.095) 1.721 15.065 ( 8.922 -0.000 8.660) 12.433 15.792 ( -8.455 0.000 -4.265) 9.470 16.805 ( 11.912 -0.000 0.436) 11.920 17.301 ( -9.117 0.000 -4.797) 10.302 ======================= Grid point 426 (198/199) ======================= q-point: (-0.08 -0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 1.626 -7.184 9.634) 12.127 0.639 ( -4.180 -9.085 5.491) 11.409 0.880 ( -3.420 -8.783 3.246) 9.969 0.903 ( 5.842 -3.450 -3.373) 7.577 0.973 ( 0.026 -0.118 -2.241) 2.244 1.094 ( 1.804 -8.778 1.084) 9.027 1.215 ( -0.490 -3.765 -0.940) 3.911 1.252 ( 1.029 -3.737 0.370) 3.893 1.286 ( 0.842 -6.078 2.023) 6.460 1.359 ( 0.921 -2.356 -1.149) 2.778 1.497 ( -1.054 1.639 -0.270) 1.967 1.547 ( -3.031 1.405 0.575) 3.390 1.634 ( -2.088 -0.875 -5.538) 5.982 1.836 ( 1.002 1.071 3.985) 4.246 1.912 ( 0.560 -4.301 -3.029) 5.290 1.957 ( 0.054 -10.000 0.241) 10.003 2.029 ( -0.056 -5.141 0.754) 5.196 2.190 ( -0.333 -8.927 -1.940) 9.142 2.334 ( -0.471 -1.377 0.294) 1.485 2.493 ( 0.408 -4.730 -0.735) 4.804 2.517 ( 0.681 -3.173 -1.650) 3.641 2.556 ( -2.832 -0.890 -3.130) 4.313 2.714 ( -0.933 2.027 -2.055) 3.034 2.752 ( 3.127 -6.301 0.466) 7.050 2.831 ( 1.097 -5.205 -0.559) 5.348 2.891 ( 2.364 -5.014 3.873) 6.762 3.030 ( 0.591 -0.340 -2.234) 2.335 3.106 ( -2.102 -6.240 -1.470) 6.746 3.194 ( 2.745 0.157 3.143) 4.176 3.287 ( -1.512 0.169 -0.336) 1.558 3.355 ( -3.242 -2.739 -2.257) 4.807 3.403 ( 0.555 -4.808 0.151) 4.842 3.438 ( -0.119 -7.743 0.239) 7.748 3.477 ( 0.116 -11.830 0.747) 11.855 3.517 ( 2.420 -3.885 1.581) 4.842 3.640 ( 0.987 -7.167 1.806) 7.457 3.771 ( 0.956 1.224 2.108) 2.619 3.938 ( -0.961 2.552 -4.255) 5.054 3.992 ( 1.742 2.117 -3.403) 4.370 4.424 ( -2.148 1.419 -1.219) 2.848 4.572 ( 0.860 4.798 1.313) 5.048 4.639 ( -2.199 6.761 -0.860) 7.161 4.710 ( 1.442 5.702 1.111) 5.986 5.176 ( 1.216 7.726 1.355) 7.938 5.351 ( -0.023 4.665 0.694) 4.716 9.704 ( 0.289 -33.351 -1.252) 33.376 9.814 ( 2.187 -30.460 -4.514) 30.870 15.007 ( 7.238 9.044 7.254) 13.668 15.603 ( -6.811 14.250 -4.298) 16.368 16.652 ( 5.886 16.710 0.133) 17.717 16.963 ( -7.190 19.774 3.427) 21.318 ======================= Grid point 438 (199/199) ======================= q-point: (-0.08 -0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -4.372 0.000 5.580) 7.089 0.523 ( 0.889 -0.000 9.291) 9.333 0.835 ( -0.685 0.000 9.686) 9.710 0.922 ( 9.395 -0.000 1.305) 9.485 0.929 ( 1.540 -0.000 -0.203) 1.553 1.056 ( -1.844 0.000 1.808) 2.582 1.086 ( 0.319 -0.000 -0.327) 0.457 1.197 ( 0.564 -0.000 -1.722) 1.812 1.259 ( -2.216 0.000 0.288) 2.235 1.348 ( 0.134 -0.000 -3.748) 3.751 1.523 ( -3.388 0.000 -3.485) 4.861 1.548 ( -1.167 0.000 0.125) 1.174 1.714 ( -3.099 0.000 -9.803) 10.282 1.735 ( -0.390 0.000 0.273) 0.476 1.837 ( 0.116 -0.000 -0.264) 0.288 1.872 ( 1.039 -0.000 4.109) 4.238 2.046 ( 0.615 -0.000 -0.987) 1.163 2.049 ( 0.254 -0.000 0.073) 0.264 2.336 ( -1.066 0.000 -0.917) 1.406 2.358 ( -1.088 0.000 0.334) 1.138 2.506 ( 0.711 -0.000 0.898) 1.146 2.523 ( 0.703 -0.000 -2.295) 2.400 2.651 ( 0.729 -0.000 -1.392) 1.571 2.761 ( 0.417 -0.000 0.036) 0.419 2.774 ( -0.608 0.000 0.010) 0.608 2.787 ( -0.079 0.000 0.041) 0.089 3.040 ( 0.428 -0.000 -1.362) 1.428 3.075 ( 0.211 -0.000 0.368) 0.425 3.229 ( -0.071 0.000 0.034) 0.079 3.236 ( 2.178 -0.000 4.821) 5.290 3.276 ( -0.060 0.000 0.442) 0.446 3.317 ( -3.069 0.000 0.691) 3.146 3.332 ( 0.076 -0.000 -0.333) 0.341 3.348 ( 0.059 -0.000 -0.154) 0.165 3.524 ( 2.402 -0.000 1.652) 2.916 3.568 ( -0.463 0.000 -1.887) 1.943 3.798 ( 1.585 -0.000 3.652) 3.981 3.949 ( -4.071 0.000 0.961) 4.183 4.043 ( 4.274 -0.000 -5.751) 7.165 4.431 ( -1.853 0.000 -1.625) 2.464 4.628 ( 1.037 -0.000 2.055) 2.302 4.699 ( -3.010 0.000 -0.433) 3.041 4.783 ( 2.101 -0.000 -0.764) 2.236 5.283 ( 2.354 -0.000 3.012) 3.823 5.407 ( -0.255 0.000 -0.642) 0.691 9.252 ( -0.922 0.000 -0.088) 0.926 9.458 ( 0.907 -0.000 0.083) 0.911 15.152 ( 11.248 -0.000 7.587) 13.567 15.726 ( -7.631 0.000 -4.866) 9.050 16.889 ( 11.308 -0.000 1.306) 11.383 17.212 ( -13.514 0.000 -4.201) 14.152 =================== 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 3/36720 10.0 47.112 58.889 28.112 -0.000 8.640 -0.000 3/36720 20.0 9.123 23.459 6.457 -0.000 1.577 -0.000 3/36720 30.0 4.717 14.081 3.572 -0.000 0.825 -0.000 3/36720 40.0 3.162 9.968 2.496 -0.000 0.558 -0.000 3/36720 50.0 2.387 7.748 1.940 -0.000 0.422 -0.000 3/36720 60.0 1.925 6.373 1.597 -0.000 0.340 -0.000 3/36720 70.0 1.619 5.437 1.362 -0.000 0.285 -0.000 3/36720 80.0 1.399 4.756 1.190 -0.000 0.246 -0.000 3/36720 90.0 1.234 4.237 1.058 -0.000 0.216 -0.000 3/36720 100.0 1.104 3.829 0.953 -0.000 0.193 -0.000 3/36720 110.0 1.000 3.498 0.868 -0.000 0.174 -0.000 3/36720 120.0 0.915 3.224 0.798 -0.000 0.158 -0.000 3/36720 130.0 0.843 2.993 0.738 -0.000 0.145 -0.000 3/36720 140.0 0.782 2.796 0.688 -0.000 0.134 -0.000 3/36720 150.0 0.730 2.626 0.644 -0.000 0.124 -0.000 3/36720 160.0 0.684 2.476 0.606 -0.000 0.115 -0.000 3/36720 170.0 0.644 2.344 0.573 -0.000 0.108 -0.000 3/36720 180.0 0.609 2.227 0.543 -0.000 0.101 -0.000 3/36720 190.0 0.577 2.121 0.516 -0.000 0.095 -0.000 3/36720 200.0 0.549 2.026 0.492 -0.000 0.090 -0.000 3/36720 210.0 0.523 1.939 0.471 -0.000 0.085 -0.000 3/36720 220.0 0.500 1.859 0.451 -0.000 0.081 -0.000 3/36720 230.0 0.479 1.786 0.433 -0.000 0.077 -0.000 3/36720 240.0 0.459 1.719 0.416 -0.000 0.073 -0.000 3/36720 250.0 0.441 1.657 0.401 -0.000 0.070 -0.000 3/36720 260.0 0.424 1.599 0.387 -0.000 0.067 -0.000 3/36720 270.0 0.409 1.545 0.373 -0.000 0.064 -0.000 3/36720 280.0 0.395 1.495 0.361 -0.000 0.062 -0.000 3/36720 290.0 0.381 1.448 0.349 -0.000 0.059 -0.000 3/36720 300.0 0.369 1.403 0.339 -0.000 0.057 -0.000 3/36720 310.0 0.357 1.362 0.328 -0.000 0.055 -0.000 3/36720 320.0 0.346 1.323 0.319 -0.000 0.053 -0.000 3/36720 330.0 0.336 1.286 0.310 -0.000 0.051 -0.000 3/36720 340.0 0.327 1.251 0.301 -0.000 0.050 -0.000 3/36720 350.0 0.317 1.217 0.293 -0.000 0.048 -0.000 3/36720 360.0 0.309 1.186 0.286 -0.000 0.047 -0.000 3/36720 370.0 0.301 1.156 0.278 -0.000 0.045 -0.000 3/36720 380.0 0.293 1.128 0.271 -0.000 0.044 -0.000 3/36720 390.0 0.285 1.101 0.265 -0.000 0.043 -0.000 3/36720 400.0 0.278 1.075 0.259 -0.000 0.042 -0.000 3/36720 410.0 0.272 1.050 0.253 -0.000 0.041 -0.000 3/36720 420.0 0.265 1.027 0.247 -0.000 0.039 -0.000 3/36720 430.0 0.259 1.004 0.242 -0.000 0.039 -0.000 3/36720 440.0 0.254 0.982 0.236 -0.000 0.038 -0.000 3/36720 450.0 0.248 0.962 0.231 -0.000 0.037 -0.000 3/36720 460.0 0.243 0.942 0.227 -0.000 0.036 -0.000 3/36720 470.0 0.238 0.923 0.222 -0.000 0.035 -0.000 3/36720 480.0 0.233 0.905 0.217 -0.000 0.034 -0.000 3/36720 490.0 0.228 0.887 0.213 -0.000 0.033 -0.000 3/36720 500.0 0.224 0.870 0.209 -0.000 0.033 -0.000 3/36720 510.0 0.219 0.854 0.205 -0.000 0.032 -0.000 3/36720 520.0 0.215 0.838 0.201 -0.000 0.031 -0.000 3/36720 530.0 0.211 0.823 0.198 -0.000 0.031 -0.000 3/36720 540.0 0.207 0.808 0.194 -0.000 0.030 -0.000 3/36720 550.0 0.204 0.794 0.191 -0.000 0.030 -0.000 3/36720 560.0 0.200 0.781 0.188 -0.000 0.029 -0.000 3/36720 570.0 0.196 0.767 0.184 -0.000 0.028 -0.000 3/36720 580.0 0.193 0.755 0.181 -0.000 0.028 -0.000 3/36720 590.0 0.190 0.742 0.178 -0.000 0.027 -0.000 3/36720 600.0 0.187 0.730 0.175 -0.000 0.027 -0.000 3/36720 610.0 0.184 0.719 0.173 -0.000 0.027 -0.000 3/36720 620.0 0.181 0.708 0.170 -0.000 0.026 -0.000 3/36720 630.0 0.178 0.697 0.167 -0.000 0.026 -0.000 3/36720 640.0 0.175 0.686 0.165 -0.000 0.025 -0.000 3/36720 650.0 0.173 0.676 0.162 -0.000 0.025 -0.000 3/36720 660.0 0.170 0.666 0.160 -0.000 0.024 -0.000 3/36720 670.0 0.167 0.656 0.158 -0.000 0.024 -0.000 3/36720 680.0 0.165 0.647 0.155 -0.000 0.024 -0.000 3/36720 690.0 0.163 0.638 0.153 -0.000 0.023 -0.000 3/36720 700.0 0.160 0.629 0.151 -0.000 0.023 -0.000 3/36720 710.0 0.158 0.620 0.149 -0.000 0.023 -0.000 3/36720 720.0 0.156 0.612 0.147 -0.000 0.022 -0.000 3/36720 730.0 0.154 0.604 0.145 -0.000 0.022 -0.000 3/36720 740.0 0.152 0.596 0.143 -0.000 0.022 -0.000 3/36720 750.0 0.150 0.588 0.141 -0.000 0.021 -0.000 3/36720 760.0 0.148 0.581 0.139 -0.000 0.021 -0.000 3/36720 770.0 0.146 0.573 0.138 -0.000 0.021 -0.000 3/36720 780.0 0.144 0.566 0.136 -0.000 0.021 -0.000 3/36720 790.0 0.142 0.559 0.134 -0.000 0.020 -0.000 3/36720 800.0 0.140 0.552 0.133 -0.000 0.020 -0.000 3/36720 810.0 0.139 0.546 0.131 -0.000 0.020 -0.000 3/36720 820.0 0.137 0.539 0.129 -0.000 0.019 -0.000 3/36720 830.0 0.135 0.533 0.128 -0.000 0.019 -0.000 3/36720 840.0 0.134 0.527 0.126 -0.000 0.019 -0.000 3/36720 850.0 0.132 0.520 0.125 -0.000 0.019 -0.000 3/36720 860.0 0.131 0.515 0.123 -0.000 0.019 -0.000 3/36720 870.0 0.129 0.509 0.122 -0.000 0.018 -0.000 3/36720 880.0 0.128 0.503 0.121 -0.000 0.018 -0.000 3/36720 890.0 0.126 0.498 0.119 -0.000 0.018 -0.000 3/36720 900.0 0.125 0.492 0.118 -0.000 0.018 -0.000 3/36720 910.0 0.124 0.487 0.117 -0.000 0.018 -0.000 3/36720 920.0 0.122 0.482 0.116 -0.000 0.017 -0.000 3/36720 930.0 0.121 0.476 0.114 -0.000 0.017 -0.000 3/36720 940.0 0.120 0.472 0.113 -0.000 0.017 -0.000 3/36720 950.0 0.118 0.467 0.112 -0.000 0.017 -0.000 3/36720 960.0 0.117 0.462 0.111 -0.000 0.017 -0.000 3/36720 970.0 0.116 0.457 0.110 -0.000 0.016 -0.000 3/36720 980.0 0.115 0.453 0.109 -0.000 0.016 -0.000 3/36720 990.0 0.114 0.448 0.108 -0.000 0.016 -0.000 3/36720 1000.0 0.113 0.444 0.106 -0.000 0.016 -0.000 3/36720 Thermal conductivity related properties were written into "kappa-m12125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:28:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|