----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:51:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.049940891035593 0.000000000000000 0.000000000000000 b 0.000000000000000 6.135293869999998 0.000000000000000 c -0.345760214559031 0.000000000000000 8.199658818887299 Atomic positions (fractional): *1 O 0.85413710281221 0.02651292814295 0.32993489240436 15.999 2 O 0.14586289718779 0.52651292814295 0.67006510759564 15.999 3 O 0.14586289718779 0.97348707185705 0.67006510759564 15.999 4 O 0.85413710281221 0.47348707185705 0.32993489240436 15.999 *5 O 0.45054398853362 0.25000000000000 0.32725810290275 15.999 *6 O 0.70193821440993 0.25000000000000 0.04983327512647 15.999 7 O 0.54945601146638 0.75000000000000 0.67274189709725 15.999 8 O 0.29806178559007 0.75000000000000 0.95016672487353 15.999 *9 Na 0.13850015032388 0.25000000000000 0.47647055607151 22.990 10 Na 0.86149984967612 0.75000000000000 0.52352944392849 22.990 *11 As 0.28761026009469 0.75000000000000 0.74251782280017 74.922 12 As 0.71238973990530 0.25000000000000 0.25748217719983 74.922 *13 Cs 0.33871591292205 0.75000000000000 0.31312930999006 132.905 14 Cs 0.66128408707795 0.25000000000000 0.68687069000994 132.905 *15 Cs 0.79936690152423 0.75000000000000 0.00808914474411 132.905 16 Cs 0.20063309847576 0.25000000000000 0.99191085525589 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.049940891035593 0.000000000000000 0.000000000000000 b 0.000000000000000 6.135293869999998 0.000000000000000 c -0.345760214559031 0.000000000000000 8.199658818887299 Atomic positions (fractional): *1 O 0.85413710281221 0.02651292814295 0.32993489240436 15.999 > 1 2 O 0.14586289718779 0.52651292814295 0.67006510759564 15.999 > 2 3 O 0.14586289718779 0.97348707185705 0.67006510759564 15.999 > 3 4 O 0.85413710281221 0.47348707185705 0.32993489240436 15.999 > 4 *5 O 0.45054398853362 0.25000000000000 0.32725810290275 15.999 > 5 *6 O 0.70193821440993 0.25000000000000 0.04983327512647 15.999 > 6 7 O 0.54945601146638 0.75000000000000 0.67274189709725 15.999 > 7 8 O 0.29806178559007 0.75000000000000 0.95016672487353 15.999 > 8 *9 Na 0.13850015032388 0.25000000000000 0.47647055607151 22.990 > 9 10 Na 0.86149984967612 0.75000000000000 0.52352944392849 22.990 > 10 *11 As 0.28761026009469 0.75000000000000 0.74251782280017 74.922 > 11 12 As 0.71238973990530 0.25000000000000 0.25748217719983 74.922 > 12 *13 Cs 0.33871591292205 0.75000000000000 0.31312930999006 132.905 > 13 14 Cs 0.66128408707795 0.25000000000000 0.68687069000994 132.905 > 14 *15 Cs 0.79936690152423 0.75000000000000 0.00808914474411 132.905 > 15 16 Cs 0.20063309847576 0.25000000000000 0.99191085525589 132.905 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.099881782071186 0.000000000000000 0.000000000000000 b 0.000000000000000 12.270587739999996 0.000000000000000 c -0.691520429118062 0.000000000000000 16.399317637774598 Atomic positions (fractional): *1 O 0.42706855140611 0.01325646407148 0.16496744620218 15.999 > 1 2 O 0.92706855140611 0.01325646407148 0.16496744620218 15.999 > 1 3 O 0.42706855140611 0.51325646407148 0.16496744620218 15.999 > 1 4 O 0.92706855140611 0.51325646407148 0.16496744620218 15.999 > 1 5 O 0.42706855140611 0.01325646407148 0.66496744620218 15.999 > 1 6 O 0.92706855140611 0.01325646407148 0.66496744620218 15.999 > 1 7 O 0.42706855140611 0.51325646407148 0.66496744620218 15.999 > 1 8 O 0.92706855140611 0.51325646407148 0.66496744620218 15.999 > 1 9 O 0.07293144859389 0.26325646407148 0.33503255379782 15.999 > 2 10 O 0.57293144859389 0.26325646407148 0.33503255379782 15.999 > 2 11 O 0.07293144859389 0.76325646407148 0.33503255379782 15.999 > 2 12 O 0.57293144859389 0.76325646407148 0.33503255379782 15.999 > 2 13 O 0.07293144859389 0.26325646407148 0.83503255379782 15.999 > 2 14 O 0.57293144859389 0.26325646407148 0.83503255379782 15.999 > 2 15 O 0.07293144859389 0.76325646407148 0.83503255379782 15.999 > 2 16 O 0.57293144859389 0.76325646407148 0.83503255379782 15.999 > 2 17 O 0.07293144859389 0.48674353592852 0.33503255379782 15.999 > 3 18 O 0.57293144859389 0.48674353592852 0.33503255379782 15.999 > 3 19 O 0.07293144859389 0.98674353592852 0.33503255379782 15.999 > 3 20 O 0.57293144859389 0.98674353592852 0.33503255379782 15.999 > 3 21 O 0.07293144859389 0.48674353592852 0.83503255379782 15.999 > 3 22 O 0.57293144859389 0.48674353592852 0.83503255379782 15.999 > 3 23 O 0.07293144859389 0.98674353592852 0.83503255379782 15.999 > 3 24 O 0.57293144859389 0.98674353592852 0.83503255379782 15.999 > 3 25 O 0.42706855140611 0.23674353592852 0.16496744620218 15.999 > 4 26 O 0.92706855140611 0.23674353592852 0.16496744620218 15.999 > 4 27 O 0.42706855140611 0.73674353592852 0.16496744620218 15.999 > 4 28 O 0.92706855140611 0.73674353592852 0.16496744620218 15.999 > 4 29 O 0.42706855140611 0.23674353592852 0.66496744620218 15.999 > 4 30 O 0.92706855140611 0.23674353592852 0.66496744620218 15.999 > 4 31 O 0.42706855140611 0.73674353592852 0.66496744620218 15.999 > 4 32 O 0.92706855140611 0.73674353592852 0.66496744620218 15.999 > 4 *33 O 0.22527199426681 0.12500000000000 0.16362905145138 15.999 > 5 34 O 0.72527199426681 0.12500000000000 0.16362905145138 15.999 > 5 35 O 0.22527199426681 0.62500000000000 0.16362905145138 15.999 > 5 36 O 0.72527199426681 0.62500000000000 0.16362905145138 15.999 > 5 37 O 0.22527199426681 0.12500000000000 0.66362905145138 15.999 > 5 38 O 0.72527199426681 0.12500000000000 0.66362905145138 15.999 > 5 39 O 0.22527199426681 0.62500000000000 0.66362905145138 15.999 > 5 40 O 0.72527199426681 0.62500000000000 0.66362905145138 15.999 > 5 *41 O 0.35096910720496 0.12500000000000 0.02491663756324 15.999 > 6 42 O 0.85096910720496 0.12500000000000 0.02491663756324 15.999 > 6 43 O 0.35096910720496 0.62500000000000 0.02491663756324 15.999 > 6 44 O 0.85096910720496 0.62500000000000 0.02491663756324 15.999 > 6 45 O 0.35096910720496 0.12500000000000 0.52491663756324 15.999 > 6 46 O 0.85096910720496 0.12500000000000 0.52491663756324 15.999 > 6 47 O 0.35096910720496 0.62500000000000 0.52491663756324 15.999 > 6 48 O 0.85096910720496 0.62500000000000 0.52491663756324 15.999 > 6 49 O 0.27472800573319 0.37500000000000 0.33637094854862 15.999 > 7 50 O 0.77472800573319 0.37500000000000 0.33637094854862 15.999 > 7 51 O 0.27472800573319 0.87500000000000 0.33637094854862 15.999 > 7 52 O 0.77472800573319 0.87500000000000 0.33637094854862 15.999 > 7 53 O 0.27472800573319 0.37500000000000 0.83637094854862 15.999 > 7 54 O 0.77472800573319 0.37500000000000 0.83637094854862 15.999 > 7 55 O 0.27472800573319 0.87500000000000 0.83637094854862 15.999 > 7 56 O 0.77472800573319 0.87500000000000 0.83637094854862 15.999 > 7 57 O 0.14903089279504 0.37500000000000 0.47508336243676 15.999 > 8 58 O 0.64903089279504 0.37500000000000 0.47508336243676 15.999 > 8 59 O 0.14903089279504 0.87500000000000 0.47508336243676 15.999 > 8 60 O 0.64903089279504 0.87500000000000 0.47508336243676 15.999 > 8 61 O 0.14903089279504 0.37500000000000 0.97508336243676 15.999 > 8 62 O 0.64903089279504 0.37500000000000 0.97508336243676 15.999 > 8 63 O 0.14903089279504 0.87500000000000 0.97508336243676 15.999 > 8 64 O 0.64903089279504 0.87500000000000 0.97508336243676 15.999 > 8 *65 Na 0.06925007516194 0.12500000000000 0.23823527803576 22.990 > 9 66 Na 0.56925007516194 0.12500000000000 0.23823527803576 22.990 > 9 67 Na 0.06925007516194 0.62500000000000 0.23823527803576 22.990 > 9 68 Na 0.56925007516194 0.62500000000000 0.23823527803576 22.990 > 9 69 Na 0.06925007516194 0.12500000000000 0.73823527803576 22.990 > 9 70 Na 0.56925007516194 0.12500000000000 0.73823527803576 22.990 > 9 71 Na 0.06925007516194 0.62500000000000 0.73823527803576 22.990 > 9 72 Na 0.56925007516194 0.62500000000000 0.73823527803576 22.990 > 9 73 Na 0.43074992483806 0.37500000000000 0.26176472196424 22.990 > 10 74 Na 0.93074992483806 0.37500000000000 0.26176472196424 22.990 > 10 75 Na 0.43074992483806 0.87500000000000 0.26176472196424 22.990 > 10 76 Na 0.93074992483806 0.87500000000000 0.26176472196424 22.990 > 10 77 Na 0.43074992483806 0.37500000000000 0.76176472196424 22.990 > 10 78 Na 0.93074992483806 0.37500000000000 0.76176472196424 22.990 > 10 79 Na 0.43074992483806 0.87500000000000 0.76176472196424 22.990 > 10 80 Na 0.93074992483806 0.87500000000000 0.76176472196424 22.990 > 10 *81 As 0.14380513004735 0.37500000000000 0.37125891140008 74.922 > 11 82 As 0.64380513004735 0.37500000000000 0.37125891140008 74.922 > 11 83 As 0.14380513004735 0.87500000000000 0.37125891140008 74.922 > 11 84 As 0.64380513004735 0.87500000000000 0.37125891140008 74.922 > 11 85 As 0.14380513004735 0.37500000000000 0.87125891140009 74.922 > 11 86 As 0.64380513004735 0.37500000000000 0.87125891140009 74.922 > 11 87 As 0.14380513004735 0.87500000000000 0.87125891140009 74.922 > 11 88 As 0.64380513004735 0.87500000000000 0.87125891140009 74.922 > 11 89 As 0.35619486995265 0.12500000000000 0.12874108859992 74.922 > 12 90 As 0.85619486995265 0.12500000000000 0.12874108859992 74.922 > 12 91 As 0.35619486995265 0.62500000000000 0.12874108859992 74.922 > 12 92 As 0.85619486995265 0.62500000000000 0.12874108859992 74.922 > 12 93 As 0.35619486995265 0.12500000000000 0.62874108859991 74.922 > 12 94 As 0.85619486995265 0.12500000000000 0.62874108859991 74.922 > 12 95 As 0.35619486995265 0.62500000000000 0.62874108859991 74.922 > 12 96 As 0.85619486995265 0.62500000000000 0.62874108859991 74.922 > 12 *97 Cs 0.16935795646103 0.37500000000000 0.15656465499503 132.905 > 13 98 Cs 0.66935795646103 0.37500000000000 0.15656465499503 132.905 > 13 99 Cs 0.16935795646103 0.87500000000000 0.15656465499503 132.905 > 13 100 Cs 0.66935795646103 0.87500000000000 0.15656465499503 132.905 > 13 101 Cs 0.16935795646103 0.37500000000000 0.65656465499503 132.905 > 13 102 Cs 0.66935795646103 0.37500000000000 0.65656465499503 132.905 > 13 103 Cs 0.16935795646103 0.87500000000000 0.65656465499503 132.905 > 13 104 Cs 0.66935795646103 0.87500000000000 0.65656465499503 132.905 > 13 105 Cs 0.33064204353897 0.12500000000000 0.34343534500497 132.905 > 14 106 Cs 0.83064204353897 0.12500000000000 0.34343534500497 132.905 > 14 107 Cs 0.33064204353897 0.62500000000000 0.34343534500497 132.905 > 14 108 Cs 0.83064204353897 0.62500000000000 0.34343534500497 132.905 > 14 109 Cs 0.33064204353897 0.12500000000000 0.84343534500497 132.905 > 14 110 Cs 0.83064204353897 0.12500000000000 0.84343534500497 132.905 > 14 111 Cs 0.33064204353897 0.62500000000000 0.84343534500497 132.905 > 14 112 Cs 0.83064204353897 0.62500000000000 0.84343534500497 132.905 > 14 *113 Cs 0.39968345076212 0.37500000000000 0.00404457237205 132.905 > 15 114 Cs 0.89968345076212 0.37500000000000 0.00404457237205 132.905 > 15 115 Cs 0.39968345076212 0.87500000000000 0.00404457237205 132.905 > 15 116 Cs 0.89968345076212 0.87500000000000 0.00404457237205 132.905 > 15 117 Cs 0.39968345076212 0.37500000000000 0.50404457237205 132.905 > 15 118 Cs 0.89968345076212 0.37500000000000 0.50404457237205 132.905 > 15 119 Cs 0.39968345076212 0.87500000000000 0.50404457237205 132.905 > 15 120 Cs 0.89968345076212 0.87500000000000 0.50404457237205 132.905 > 15 121 Cs 0.10031654923788 0.12500000000000 0.49595542762795 132.905 > 16 122 Cs 0.60031654923788 0.12500000000000 0.49595542762795 132.905 > 16 123 Cs 0.10031654923788 0.62500000000000 0.49595542762795 132.905 > 16 124 Cs 0.60031654923788 0.62500000000000 0.49595542762795 132.905 > 16 125 Cs 0.10031654923788 0.12500000000000 0.99595542762795 132.905 > 16 126 Cs 0.60031654923788 0.12500000000000 0.99595542762795 132.905 > 16 127 Cs 0.10031654923788 0.62500000000000 0.99595542762795 132.905 > 16 128 Cs 0.60031654923788 0.62500000000000 0.99595542762795 132.905 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9251383 0.0000000 -0.0143999 0.0000000 2.9490347 0.0000000 -0.0143996 0.0000000 2.9970310 -------------------------- Born effective charges -------------------------- 1 O -1.5045374 0.3434239 -0.1542578 0.4270034 -1.9678808 0.2352420 -0.1407188 0.1937279 -1.5303494 2 O -1.5045374 -0.3434239 -0.1542578 -0.4270034 -1.9678808 -0.2352420 -0.1407188 -0.1937279 -1.5303494 3 O -1.5045374 0.3434239 -0.1542578 0.4270034 -1.9678808 0.2352420 -0.1407188 0.1937279 -1.5303494 4 O -1.5045374 -0.3434239 -0.1542578 -0.4270034 -1.9678808 -0.2352420 -0.1407188 -0.1937279 -1.5303494 5 O -2.0994491 0.0000000 0.2285811 0.0000000 -1.4210207 0.0000000 0.2326616 0.0000000 -1.5718447 6 O -1.4690295 0.0000000 -0.0066362 0.0000000 -1.4034209 0.0000000 0.0153751 0.0000000 -2.2534620 7 O -2.0994491 0.0000000 0.2285811 0.0000000 -1.4210207 0.0000000 0.2326616 0.0000000 -1.5718447 8 O -1.4690295 0.0000000 -0.0066362 0.0000000 -1.4034209 0.0000000 0.0153751 0.0000000 -2.2534620 9 Na 1.2082827 0.0000000 0.0604762 0.0000000 1.0834534 0.0000000 0.0228706 0.0000000 1.1805438 10 Na 1.2082827 0.0000000 0.0604762 0.0000000 1.0834534 0.0000000 0.0228706 0.0000000 1.1805438 11 As 2.7972991 0.0000000 -0.0589034 0.0000000 2.9087677 0.0000000 -0.0981563 0.0000000 2.9370620 12 As 2.7972991 0.0000000 -0.0589034 0.0000000 2.9087677 0.0000000 -0.0981563 0.0000000 2.9370620 13 Cs 1.2000809 0.0000000 0.0178696 0.0000000 1.4240924 0.0000000 0.0489301 0.0000000 1.5461485 14 Cs 1.2000809 0.0000000 0.0178696 0.0000000 1.4240924 0.0000000 0.0489301 0.0000000 1.5461485 15 Cs 1.3718906 0.0000000 0.0671284 0.0000000 1.3438897 0.0000000 0.0597566 0.0000000 1.2222512 16 Cs 1.3718906 0.0000000 0.0671284 0.0000000 1.3438897 0.0000000 0.0597566 0.0000000 1.2222512 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2520 Number of blocks in projector: 2520 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 656 / 656 (1) 147 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 368 Use standard eigh solver. Tree of FC basis block matrices: - (2520, 2482), data: False |-- (368, 366), data: True |-- (368, 366), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (656, 643), data: False |-- (656, 9), data: (656, 22) @ (22, 9) |-- (156, 147), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.808 Solver_block: 200 / 480 - Time: 0.726 Solver_block: 300 / 480 - Time: 0.745 Solver_block: 400 / 480 - Time: 0.733 Solver_block: 480 / 480 - Time: 0.606 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.711 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2520 Number of blocks in projector: 2520 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 656 / 656 (1) 147 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 368 Use standard eigh solver. Tree of FC basis block matrices: - (2520, 2482), data: False |-- (368, 366), data: True |-- (368, 366), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (656, 643), data: False |-- (656, 9), data: (656, 22) @ (22, 9) |-- (156, 147), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:52:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:52:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.049940891035593 0.000000000000000 0.000000000000000 b 0.000000000000000 6.135293869999998 0.000000000000000 c -0.345760214559031 0.000000000000000 8.199658818887299 Atomic positions (fractional): 1 O 0.85413710281221 0.02651292814295 0.32993489240436 15.999 2 O 0.14586289718779 0.52651292814295 0.67006510759564 15.999 3 O 0.14586289718779 0.97348707185705 0.67006510759564 15.999 4 O 0.85413710281221 0.47348707185705 0.32993489240436 15.999 5 O 0.45054398853362 0.25000000000000 0.32725810290275 15.999 6 O 0.70193821440993 0.25000000000000 0.04983327512647 15.999 7 O 0.54945601146638 0.75000000000000 0.67274189709725 15.999 8 O 0.29806178559007 0.75000000000000 0.95016672487353 15.999 9 Na 0.13850015032388 0.25000000000000 0.47647055607151 22.990 10 Na 0.86149984967612 0.75000000000000 0.52352944392849 22.990 11 As 0.28761026009469 0.75000000000000 0.74251782280017 74.922 12 As 0.71238973990530 0.25000000000000 0.25748217719983 74.922 13 Cs 0.33871591292205 0.75000000000000 0.31312930999006 132.905 14 Cs 0.66128408707795 0.25000000000000 0.68687069000994 132.905 15 Cs 0.79936690152423 0.75000000000000 0.00808914474411 132.905 16 Cs 0.20063309847576 0.25000000000000 0.99191085525589 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.099881782071186 0.000000000000000 0.000000000000000 b 0.000000000000000 12.270587739999996 0.000000000000000 c -0.691520429118062 0.000000000000000 16.399317637774598 Atomic positions (fractional): 1 O 0.42706855140611 0.01325646407148 0.16496744620218 15.999 > 1 2 O 0.92706855140611 0.01325646407148 0.16496744620218 15.999 > 1 3 O 0.42706855140611 0.51325646407148 0.16496744620218 15.999 > 1 4 O 0.92706855140611 0.51325646407148 0.16496744620218 15.999 > 1 5 O 0.42706855140611 0.01325646407148 0.66496744620218 15.999 > 1 6 O 0.92706855140611 0.01325646407148 0.66496744620218 15.999 > 1 7 O 0.42706855140611 0.51325646407148 0.66496744620218 15.999 > 1 8 O 0.92706855140611 0.51325646407148 0.66496744620218 15.999 > 1 9 O 0.07293144859389 0.26325646407148 0.33503255379782 15.999 > 9 10 O 0.57293144859389 0.26325646407148 0.33503255379782 15.999 > 9 11 O 0.07293144859389 0.76325646407148 0.33503255379782 15.999 > 9 12 O 0.57293144859389 0.76325646407148 0.33503255379782 15.999 > 9 13 O 0.07293144859389 0.26325646407148 0.83503255379782 15.999 > 9 14 O 0.57293144859389 0.26325646407148 0.83503255379782 15.999 > 9 15 O 0.07293144859389 0.76325646407148 0.83503255379782 15.999 > 9 16 O 0.57293144859389 0.76325646407148 0.83503255379782 15.999 > 9 17 O 0.07293144859389 0.48674353592852 0.33503255379782 15.999 > 17 18 O 0.57293144859389 0.48674353592852 0.33503255379782 15.999 > 17 19 O 0.07293144859389 0.98674353592852 0.33503255379782 15.999 > 17 20 O 0.57293144859389 0.98674353592852 0.33503255379782 15.999 > 17 21 O 0.07293144859389 0.48674353592852 0.83503255379782 15.999 > 17 22 O 0.57293144859389 0.48674353592852 0.83503255379782 15.999 > 17 23 O 0.07293144859389 0.98674353592852 0.83503255379782 15.999 > 17 24 O 0.57293144859389 0.98674353592852 0.83503255379782 15.999 > 17 25 O 0.42706855140611 0.23674353592852 0.16496744620218 15.999 > 25 26 O 0.92706855140611 0.23674353592852 0.16496744620218 15.999 > 25 27 O 0.42706855140611 0.73674353592852 0.16496744620218 15.999 > 25 28 O 0.92706855140611 0.73674353592852 0.16496744620218 15.999 > 25 29 O 0.42706855140611 0.23674353592852 0.66496744620218 15.999 > 25 30 O 0.92706855140611 0.23674353592852 0.66496744620218 15.999 > 25 31 O 0.42706855140611 0.73674353592852 0.66496744620218 15.999 > 25 32 O 0.92706855140611 0.73674353592852 0.66496744620218 15.999 > 25 33 O 0.22527199426681 0.12500000000000 0.16362905145138 15.999 > 33 34 O 0.72527199426681 0.12500000000000 0.16362905145138 15.999 > 33 35 O 0.22527199426681 0.62500000000000 0.16362905145138 15.999 > 33 36 O 0.72527199426681 0.62500000000000 0.16362905145138 15.999 > 33 37 O 0.22527199426681 0.12500000000000 0.66362905145138 15.999 > 33 38 O 0.72527199426681 0.12500000000000 0.66362905145138 15.999 > 33 39 O 0.22527199426681 0.62500000000000 0.66362905145138 15.999 > 33 40 O 0.72527199426681 0.62500000000000 0.66362905145138 15.999 > 33 41 O 0.35096910720496 0.12500000000000 0.02491663756324 15.999 > 41 42 O 0.85096910720496 0.12500000000000 0.02491663756324 15.999 > 41 43 O 0.35096910720496 0.62500000000000 0.02491663756324 15.999 > 41 44 O 0.85096910720496 0.62500000000000 0.02491663756324 15.999 > 41 45 O 0.35096910720496 0.12500000000000 0.52491663756324 15.999 > 41 46 O 0.85096910720496 0.12500000000000 0.52491663756324 15.999 > 41 47 O 0.35096910720496 0.62500000000000 0.52491663756324 15.999 > 41 48 O 0.85096910720496 0.62500000000000 0.52491663756324 15.999 > 41 49 O 0.27472800573319 0.37500000000000 0.33637094854862 15.999 > 49 50 O 0.77472800573319 0.37500000000000 0.33637094854862 15.999 > 49 51 O 0.27472800573319 0.87500000000000 0.33637094854862 15.999 > 49 52 O 0.77472800573319 0.87500000000000 0.33637094854862 15.999 > 49 53 O 0.27472800573319 0.37500000000000 0.83637094854862 15.999 > 49 54 O 0.77472800573319 0.37500000000000 0.83637094854862 15.999 > 49 55 O 0.27472800573319 0.87500000000000 0.83637094854862 15.999 > 49 56 O 0.77472800573319 0.87500000000000 0.83637094854862 15.999 > 49 57 O 0.14903089279504 0.37500000000000 0.47508336243676 15.999 > 57 58 O 0.64903089279504 0.37500000000000 0.47508336243676 15.999 > 57 59 O 0.14903089279504 0.87500000000000 0.47508336243676 15.999 > 57 60 O 0.64903089279504 0.87500000000000 0.47508336243676 15.999 > 57 61 O 0.14903089279504 0.37500000000000 0.97508336243676 15.999 > 57 62 O 0.64903089279504 0.37500000000000 0.97508336243676 15.999 > 57 63 O 0.14903089279504 0.87500000000000 0.97508336243676 15.999 > 57 64 O 0.64903089279504 0.87500000000000 0.97508336243676 15.999 > 57 65 Na 0.06925007516194 0.12500000000000 0.23823527803576 22.990 > 65 66 Na 0.56925007516194 0.12500000000000 0.23823527803576 22.990 > 65 67 Na 0.06925007516194 0.62500000000000 0.23823527803576 22.990 > 65 68 Na 0.56925007516194 0.62500000000000 0.23823527803576 22.990 > 65 69 Na 0.06925007516194 0.12500000000000 0.73823527803576 22.990 > 65 70 Na 0.56925007516194 0.12500000000000 0.73823527803576 22.990 > 65 71 Na 0.06925007516194 0.62500000000000 0.73823527803576 22.990 > 65 72 Na 0.56925007516194 0.62500000000000 0.73823527803576 22.990 > 65 73 Na 0.43074992483806 0.37500000000000 0.26176472196424 22.990 > 73 74 Na 0.93074992483806 0.37500000000000 0.26176472196424 22.990 > 73 75 Na 0.43074992483806 0.87500000000000 0.26176472196424 22.990 > 73 76 Na 0.93074992483806 0.87500000000000 0.26176472196424 22.990 > 73 77 Na 0.43074992483806 0.37500000000000 0.76176472196424 22.990 > 73 78 Na 0.93074992483806 0.37500000000000 0.76176472196424 22.990 > 73 79 Na 0.43074992483806 0.87500000000000 0.76176472196424 22.990 > 73 80 Na 0.93074992483806 0.87500000000000 0.76176472196424 22.990 > 73 81 As 0.14380513004735 0.37500000000000 0.37125891140008 74.922 > 81 82 As 0.64380513004735 0.37500000000000 0.37125891140008 74.922 > 81 83 As 0.14380513004735 0.87500000000000 0.37125891140008 74.922 > 81 84 As 0.64380513004735 0.87500000000000 0.37125891140008 74.922 > 81 85 As 0.14380513004735 0.37500000000000 0.87125891140009 74.922 > 81 86 As 0.64380513004735 0.37500000000000 0.87125891140009 74.922 > 81 87 As 0.14380513004735 0.87500000000000 0.87125891140009 74.922 > 81 88 As 0.64380513004735 0.87500000000000 0.87125891140009 74.922 > 81 89 As 0.35619486995265 0.12500000000000 0.12874108859992 74.922 > 89 90 As 0.85619486995265 0.12500000000000 0.12874108859992 74.922 > 89 91 As 0.35619486995265 0.62500000000000 0.12874108859992 74.922 > 89 92 As 0.85619486995265 0.62500000000000 0.12874108859992 74.922 > 89 93 As 0.35619486995265 0.12500000000000 0.62874108859991 74.922 > 89 94 As 0.85619486995265 0.12500000000000 0.62874108859991 74.922 > 89 95 As 0.35619486995265 0.62500000000000 0.62874108859991 74.922 > 89 96 As 0.85619486995265 0.62500000000000 0.62874108859991 74.922 > 89 97 Cs 0.16935795646103 0.37500000000000 0.15656465499503 132.905 > 97 98 Cs 0.66935795646103 0.37500000000000 0.15656465499503 132.905 > 97 99 Cs 0.16935795646103 0.87500000000000 0.15656465499503 132.905 > 97 100 Cs 0.66935795646103 0.87500000000000 0.15656465499503 132.905 > 97 101 Cs 0.16935795646103 0.37500000000000 0.65656465499503 132.905 > 97 102 Cs 0.66935795646103 0.37500000000000 0.65656465499503 132.905 > 97 103 Cs 0.16935795646103 0.87500000000000 0.65656465499503 132.905 > 97 104 Cs 0.66935795646103 0.87500000000000 0.65656465499503 132.905 > 97 105 Cs 0.33064204353897 0.12500000000000 0.34343534500497 132.905 > 105 106 Cs 0.83064204353897 0.12500000000000 0.34343534500497 132.905 > 105 107 Cs 0.33064204353897 0.62500000000000 0.34343534500497 132.905 > 105 108 Cs 0.83064204353897 0.62500000000000 0.34343534500497 132.905 > 105 109 Cs 0.33064204353897 0.12500000000000 0.84343534500497 132.905 > 105 110 Cs 0.83064204353897 0.12500000000000 0.84343534500497 132.905 > 105 111 Cs 0.33064204353897 0.62500000000000 0.84343534500497 132.905 > 105 112 Cs 0.83064204353897 0.62500000000000 0.84343534500497 132.905 > 105 113 Cs 0.39968345076212 0.37500000000000 0.00404457237205 132.905 > 113 114 Cs 0.89968345076212 0.37500000000000 0.00404457237205 132.905 > 113 115 Cs 0.39968345076212 0.87500000000000 0.00404457237205 132.905 > 113 116 Cs 0.89968345076212 0.87500000000000 0.00404457237205 132.905 > 113 117 Cs 0.39968345076212 0.37500000000000 0.50404457237205 132.905 > 113 118 Cs 0.89968345076212 0.37500000000000 0.50404457237205 132.905 > 113 119 Cs 0.39968345076212 0.87500000000000 0.50404457237205 132.905 > 113 120 Cs 0.89968345076212 0.87500000000000 0.50404457237205 132.905 > 113 121 Cs 0.10031654923788 0.12500000000000 0.49595542762795 132.905 > 121 122 Cs 0.60031654923788 0.12500000000000 0.49595542762795 132.905 > 121 123 Cs 0.10031654923788 0.62500000000000 0.49595542762795 132.905 > 121 124 Cs 0.60031654923788 0.62500000000000 0.49595542762795 132.905 > 121 125 Cs 0.10031654923788 0.12500000000000 0.99595542762795 132.905 > 121 126 Cs 0.60031654923788 0.12500000000000 0.99595542762795 132.905 > 121 127 Cs 0.10031654923788 0.62500000000000 0.99595542762795 132.905 > 121 128 Cs 0.60031654923788 0.62500000000000 0.99595542762795 132.905 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9251383 0.0000000 -0.0143999 0.0000000 2.9490347 0.0000000 -0.0143996 0.0000000 2.9970310 -------------------------- Born effective charges -------------------------- 1 O -1.5045374 0.3434239 -0.1542578 0.4270034 -1.9678808 0.2352420 -0.1407188 0.1937279 -1.5303494 2 O -1.5045374 -0.3434239 -0.1542578 -0.4270034 -1.9678808 -0.2352420 -0.1407188 -0.1937279 -1.5303494 3 O -1.5045374 0.3434239 -0.1542578 0.4270034 -1.9678808 0.2352420 -0.1407188 0.1937279 -1.5303494 4 O -1.5045374 -0.3434239 -0.1542578 -0.4270034 -1.9678808 -0.2352420 -0.1407188 -0.1937279 -1.5303494 5 O -2.0994491 0.0000000 0.2285811 0.0000000 -1.4210207 0.0000000 0.2326616 0.0000000 -1.5718447 6 O -1.4690295 0.0000000 -0.0066362 0.0000000 -1.4034209 0.0000000 0.0153751 0.0000000 -2.2534620 7 O -2.0994491 0.0000000 0.2285811 0.0000000 -1.4210207 0.0000000 0.2326616 0.0000000 -1.5718447 8 O -1.4690295 0.0000000 -0.0066362 0.0000000 -1.4034209 0.0000000 0.0153751 0.0000000 -2.2534620 9 Na 1.2082827 0.0000000 0.0604762 0.0000000 1.0834534 0.0000000 0.0228706 0.0000000 1.1805438 10 Na 1.2082827 0.0000000 0.0604762 0.0000000 1.0834534 0.0000000 0.0228706 0.0000000 1.1805438 11 As 2.7972991 0.0000000 -0.0589034 0.0000000 2.9087677 0.0000000 -0.0981563 0.0000000 2.9370620 12 As 2.7972991 0.0000000 -0.0589034 0.0000000 2.9087677 0.0000000 -0.0981563 0.0000000 2.9370620 13 Cs 1.2000809 0.0000000 0.0178696 0.0000000 1.4240924 0.0000000 0.0489301 0.0000000 1.5461485 14 Cs 1.2000809 0.0000000 0.0178696 0.0000000 1.4240924 0.0000000 0.0489301 0.0000000 1.5461485 15 Cs 1.3718906 0.0000000 0.0671284 0.0000000 1.3438897 0.0000000 0.0597566 0.0000000 1.2222512 16 Cs 1.3718906 0.0000000 0.0671284 0.0000000 1.3438897 0.0000000 0.0597566 0.0000000 1.2222512 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 33, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 41, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000028 (zzz) 0.00000028 (zzz) 0.00000028 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (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 2026-01-07 22:52:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:52:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.049940891035593 0.000000000000000 0.000000000000000 b 0.000000000000000 6.135293869999998 0.000000000000000 c -0.345760214559031 0.000000000000000 8.199658818887299 Atomic positions (fractional): 1 O 0.85413710281221 0.02651292814295 0.32993489240436 15.999 2 O 0.14586289718779 0.52651292814295 0.67006510759564 15.999 3 O 0.14586289718779 0.97348707185705 0.67006510759564 15.999 4 O 0.85413710281221 0.47348707185705 0.32993489240436 15.999 5 O 0.45054398853362 0.25000000000000 0.32725810290275 15.999 6 O 0.70193821440993 0.25000000000000 0.04983327512647 15.999 7 O 0.54945601146638 0.75000000000000 0.67274189709725 15.999 8 O 0.29806178559007 0.75000000000000 0.95016672487353 15.999 9 Na 0.13850015032388 0.25000000000000 0.47647055607151 22.990 10 Na 0.86149984967612 0.75000000000000 0.52352944392849 22.990 11 As 0.28761026009469 0.75000000000000 0.74251782280017 74.922 12 As 0.71238973990530 0.25000000000000 0.25748217719983 74.922 13 Cs 0.33871591292205 0.75000000000000 0.31312930999006 132.905 14 Cs 0.66128408707795 0.25000000000000 0.68687069000994 132.905 15 Cs 0.79936690152423 0.75000000000000 0.00808914474411 132.905 16 Cs 0.20063309847576 0.25000000000000 0.99191085525589 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.099881782071186 0.000000000000000 0.000000000000000 b 0.000000000000000 12.270587739999996 0.000000000000000 c -0.691520429118062 0.000000000000000 16.399317637774598 Atomic positions (fractional): 1 O 0.42706855140611 0.01325646407148 0.16496744620218 15.999 > 1 2 O 0.92706855140611 0.01325646407148 0.16496744620218 15.999 > 1 3 O 0.42706855140611 0.51325646407148 0.16496744620218 15.999 > 1 4 O 0.92706855140611 0.51325646407148 0.16496744620218 15.999 > 1 5 O 0.42706855140611 0.01325646407148 0.66496744620218 15.999 > 1 6 O 0.92706855140611 0.01325646407148 0.66496744620218 15.999 > 1 7 O 0.42706855140611 0.51325646407148 0.66496744620218 15.999 > 1 8 O 0.92706855140611 0.51325646407148 0.66496744620218 15.999 > 1 9 O 0.07293144859389 0.26325646407148 0.33503255379782 15.999 > 9 10 O 0.57293144859389 0.26325646407148 0.33503255379782 15.999 > 9 11 O 0.07293144859389 0.76325646407148 0.33503255379782 15.999 > 9 12 O 0.57293144859389 0.76325646407148 0.33503255379782 15.999 > 9 13 O 0.07293144859389 0.26325646407148 0.83503255379782 15.999 > 9 14 O 0.57293144859389 0.26325646407148 0.83503255379782 15.999 > 9 15 O 0.07293144859389 0.76325646407148 0.83503255379782 15.999 > 9 16 O 0.57293144859389 0.76325646407148 0.83503255379782 15.999 > 9 17 O 0.07293144859389 0.48674353592852 0.33503255379782 15.999 > 17 18 O 0.57293144859389 0.48674353592852 0.33503255379782 15.999 > 17 19 O 0.07293144859389 0.98674353592852 0.33503255379782 15.999 > 17 20 O 0.57293144859389 0.98674353592852 0.33503255379782 15.999 > 17 21 O 0.07293144859389 0.48674353592852 0.83503255379782 15.999 > 17 22 O 0.57293144859389 0.48674353592852 0.83503255379782 15.999 > 17 23 O 0.07293144859389 0.98674353592852 0.83503255379782 15.999 > 17 24 O 0.57293144859389 0.98674353592852 0.83503255379782 15.999 > 17 25 O 0.42706855140611 0.23674353592852 0.16496744620218 15.999 > 25 26 O 0.92706855140611 0.23674353592852 0.16496744620218 15.999 > 25 27 O 0.42706855140611 0.73674353592852 0.16496744620218 15.999 > 25 28 O 0.92706855140611 0.73674353592852 0.16496744620218 15.999 > 25 29 O 0.42706855140611 0.23674353592852 0.66496744620218 15.999 > 25 30 O 0.92706855140611 0.23674353592852 0.66496744620218 15.999 > 25 31 O 0.42706855140611 0.73674353592852 0.66496744620218 15.999 > 25 32 O 0.92706855140611 0.73674353592852 0.66496744620218 15.999 > 25 33 O 0.22527199426681 0.12500000000000 0.16362905145138 15.999 > 33 34 O 0.72527199426681 0.12500000000000 0.16362905145138 15.999 > 33 35 O 0.22527199426681 0.62500000000000 0.16362905145138 15.999 > 33 36 O 0.72527199426681 0.62500000000000 0.16362905145138 15.999 > 33 37 O 0.22527199426681 0.12500000000000 0.66362905145138 15.999 > 33 38 O 0.72527199426681 0.12500000000000 0.66362905145138 15.999 > 33 39 O 0.22527199426681 0.62500000000000 0.66362905145138 15.999 > 33 40 O 0.72527199426681 0.62500000000000 0.66362905145138 15.999 > 33 41 O 0.35096910720496 0.12500000000000 0.02491663756324 15.999 > 41 42 O 0.85096910720496 0.12500000000000 0.02491663756324 15.999 > 41 43 O 0.35096910720496 0.62500000000000 0.02491663756324 15.999 > 41 44 O 0.85096910720496 0.62500000000000 0.02491663756324 15.999 > 41 45 O 0.35096910720496 0.12500000000000 0.52491663756324 15.999 > 41 46 O 0.85096910720496 0.12500000000000 0.52491663756324 15.999 > 41 47 O 0.35096910720496 0.62500000000000 0.52491663756324 15.999 > 41 48 O 0.85096910720496 0.62500000000000 0.52491663756324 15.999 > 41 49 O 0.27472800573319 0.37500000000000 0.33637094854862 15.999 > 49 50 O 0.77472800573319 0.37500000000000 0.33637094854862 15.999 > 49 51 O 0.27472800573319 0.87500000000000 0.33637094854862 15.999 > 49 52 O 0.77472800573319 0.87500000000000 0.33637094854862 15.999 > 49 53 O 0.27472800573319 0.37500000000000 0.83637094854862 15.999 > 49 54 O 0.77472800573319 0.37500000000000 0.83637094854862 15.999 > 49 55 O 0.27472800573319 0.87500000000000 0.83637094854862 15.999 > 49 56 O 0.77472800573319 0.87500000000000 0.83637094854862 15.999 > 49 57 O 0.14903089279504 0.37500000000000 0.47508336243676 15.999 > 57 58 O 0.64903089279504 0.37500000000000 0.47508336243676 15.999 > 57 59 O 0.14903089279504 0.87500000000000 0.47508336243676 15.999 > 57 60 O 0.64903089279504 0.87500000000000 0.47508336243676 15.999 > 57 61 O 0.14903089279504 0.37500000000000 0.97508336243676 15.999 > 57 62 O 0.64903089279504 0.37500000000000 0.97508336243676 15.999 > 57 63 O 0.14903089279504 0.87500000000000 0.97508336243676 15.999 > 57 64 O 0.64903089279504 0.87500000000000 0.97508336243676 15.999 > 57 65 Na 0.06925007516194 0.12500000000000 0.23823527803576 22.990 > 65 66 Na 0.56925007516194 0.12500000000000 0.23823527803576 22.990 > 65 67 Na 0.06925007516194 0.62500000000000 0.23823527803576 22.990 > 65 68 Na 0.56925007516194 0.62500000000000 0.23823527803576 22.990 > 65 69 Na 0.06925007516194 0.12500000000000 0.73823527803576 22.990 > 65 70 Na 0.56925007516194 0.12500000000000 0.73823527803576 22.990 > 65 71 Na 0.06925007516194 0.62500000000000 0.73823527803576 22.990 > 65 72 Na 0.56925007516194 0.62500000000000 0.73823527803576 22.990 > 65 73 Na 0.43074992483806 0.37500000000000 0.26176472196424 22.990 > 73 74 Na 0.93074992483806 0.37500000000000 0.26176472196424 22.990 > 73 75 Na 0.43074992483806 0.87500000000000 0.26176472196424 22.990 > 73 76 Na 0.93074992483806 0.87500000000000 0.26176472196424 22.990 > 73 77 Na 0.43074992483806 0.37500000000000 0.76176472196424 22.990 > 73 78 Na 0.93074992483806 0.37500000000000 0.76176472196424 22.990 > 73 79 Na 0.43074992483806 0.87500000000000 0.76176472196424 22.990 > 73 80 Na 0.93074992483806 0.87500000000000 0.76176472196424 22.990 > 73 81 As 0.14380513004735 0.37500000000000 0.37125891140008 74.922 > 81 82 As 0.64380513004735 0.37500000000000 0.37125891140008 74.922 > 81 83 As 0.14380513004735 0.87500000000000 0.37125891140008 74.922 > 81 84 As 0.64380513004735 0.87500000000000 0.37125891140008 74.922 > 81 85 As 0.14380513004735 0.37500000000000 0.87125891140009 74.922 > 81 86 As 0.64380513004735 0.37500000000000 0.87125891140009 74.922 > 81 87 As 0.14380513004735 0.87500000000000 0.87125891140009 74.922 > 81 88 As 0.64380513004735 0.87500000000000 0.87125891140009 74.922 > 81 89 As 0.35619486995265 0.12500000000000 0.12874108859992 74.922 > 89 90 As 0.85619486995265 0.12500000000000 0.12874108859992 74.922 > 89 91 As 0.35619486995265 0.62500000000000 0.12874108859992 74.922 > 89 92 As 0.85619486995265 0.62500000000000 0.12874108859992 74.922 > 89 93 As 0.35619486995265 0.12500000000000 0.62874108859991 74.922 > 89 94 As 0.85619486995265 0.12500000000000 0.62874108859991 74.922 > 89 95 As 0.35619486995265 0.62500000000000 0.62874108859991 74.922 > 89 96 As 0.85619486995265 0.62500000000000 0.62874108859991 74.922 > 89 97 Cs 0.16935795646103 0.37500000000000 0.15656465499503 132.905 > 97 98 Cs 0.66935795646103 0.37500000000000 0.15656465499503 132.905 > 97 99 Cs 0.16935795646103 0.87500000000000 0.15656465499503 132.905 > 97 100 Cs 0.66935795646103 0.87500000000000 0.15656465499503 132.905 > 97 101 Cs 0.16935795646103 0.37500000000000 0.65656465499503 132.905 > 97 102 Cs 0.66935795646103 0.37500000000000 0.65656465499503 132.905 > 97 103 Cs 0.16935795646103 0.87500000000000 0.65656465499503 132.905 > 97 104 Cs 0.66935795646103 0.87500000000000 0.65656465499503 132.905 > 97 105 Cs 0.33064204353897 0.12500000000000 0.34343534500497 132.905 > 105 106 Cs 0.83064204353897 0.12500000000000 0.34343534500497 132.905 > 105 107 Cs 0.33064204353897 0.62500000000000 0.34343534500497 132.905 > 105 108 Cs 0.83064204353897 0.62500000000000 0.34343534500497 132.905 > 105 109 Cs 0.33064204353897 0.12500000000000 0.84343534500497 132.905 > 105 110 Cs 0.83064204353897 0.12500000000000 0.84343534500497 132.905 > 105 111 Cs 0.33064204353897 0.62500000000000 0.84343534500497 132.905 > 105 112 Cs 0.83064204353897 0.62500000000000 0.84343534500497 132.905 > 105 113 Cs 0.39968345076212 0.37500000000000 0.00404457237205 132.905 > 113 114 Cs 0.89968345076212 0.37500000000000 0.00404457237205 132.905 > 113 115 Cs 0.39968345076212 0.87500000000000 0.00404457237205 132.905 > 113 116 Cs 0.89968345076212 0.87500000000000 0.00404457237205 132.905 > 113 117 Cs 0.39968345076212 0.37500000000000 0.50404457237205 132.905 > 113 118 Cs 0.89968345076212 0.37500000000000 0.50404457237205 132.905 > 113 119 Cs 0.39968345076212 0.87500000000000 0.50404457237205 132.905 > 113 120 Cs 0.89968345076212 0.87500000000000 0.50404457237205 132.905 > 113 121 Cs 0.10031654923788 0.12500000000000 0.49595542762795 132.905 > 121 122 Cs 0.60031654923788 0.12500000000000 0.49595542762795 132.905 > 121 123 Cs 0.10031654923788 0.62500000000000 0.49595542762795 132.905 > 121 124 Cs 0.60031654923788 0.62500000000000 0.49595542762795 132.905 > 121 125 Cs 0.10031654923788 0.12500000000000 0.99595542762795 132.905 > 121 126 Cs 0.60031654923788 0.12500000000000 0.99595542762795 132.905 > 121 127 Cs 0.10031654923788 0.62500000000000 0.99595542762795 132.905 > 121 128 Cs 0.60031654923788 0.62500000000000 0.99595542762795 132.905 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9251383 0.0000000 -0.0143999 0.0000000 2.9490347 0.0000000 -0.0143996 0.0000000 2.9970310 -------------------------- Born effective charges -------------------------- 1 O -1.5045374 0.3434239 -0.1542578 0.4270034 -1.9678808 0.2352420 -0.1407188 0.1937279 -1.5303494 2 O -1.5045374 -0.3434239 -0.1542578 -0.4270034 -1.9678808 -0.2352420 -0.1407188 -0.1937279 -1.5303494 3 O -1.5045374 0.3434239 -0.1542578 0.4270034 -1.9678808 0.2352420 -0.1407188 0.1937279 -1.5303494 4 O -1.5045374 -0.3434239 -0.1542578 -0.4270034 -1.9678808 -0.2352420 -0.1407188 -0.1937279 -1.5303494 5 O -2.0994491 0.0000000 0.2285811 0.0000000 -1.4210207 0.0000000 0.2326616 0.0000000 -1.5718447 6 O -1.4690295 0.0000000 -0.0066362 0.0000000 -1.4034209 0.0000000 0.0153751 0.0000000 -2.2534620 7 O -2.0994491 0.0000000 0.2285811 0.0000000 -1.4210207 0.0000000 0.2326616 0.0000000 -1.5718447 8 O -1.4690295 0.0000000 -0.0066362 0.0000000 -1.4034209 0.0000000 0.0153751 0.0000000 -2.2534620 9 Na 1.2082827 0.0000000 0.0604762 0.0000000 1.0834534 0.0000000 0.0228706 0.0000000 1.1805438 10 Na 1.2082827 0.0000000 0.0604762 0.0000000 1.0834534 0.0000000 0.0228706 0.0000000 1.1805438 11 As 2.7972991 0.0000000 -0.0589034 0.0000000 2.9087677 0.0000000 -0.0981563 0.0000000 2.9370620 12 As 2.7972991 0.0000000 -0.0589034 0.0000000 2.9087677 0.0000000 -0.0981563 0.0000000 2.9370620 13 Cs 1.2000809 0.0000000 0.0178696 0.0000000 1.4240924 0.0000000 0.0489301 0.0000000 1.5461485 14 Cs 1.2000809 0.0000000 0.0178696 0.0000000 1.4240924 0.0000000 0.0489301 0.0000000 1.5461485 15 Cs 1.3718906 0.0000000 0.0671284 0.0000000 1.3438897 0.0000000 0.0597566 0.0000000 1.2222512 16 Cs 1.3718906 0.0000000 0.0671284 0.0000000 1.3438897 0.0000000 0.0597566 0.0000000 1.2222512 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000028 (zzz) 0.00000028 (zzz) 0.00000028 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 8 8 6 ] 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: 0.62, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/130) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 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 1.063 ( 0.000 0.000 0.000) 0.000 1.194 ( 0.000 0.000 0.000) 0.000 1.447 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.693 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.368 ( 0.000 0.000 0.000) 0.000 10.701 ( 0.000 0.000 0.000) 0.000 10.873 ( 0.000 0.000 0.000) 0.000 10.926 ( 0.000 0.000 0.000) 0.000 11.395 ( 0.000 0.000 0.000) 0.000 11.403 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 21.866 ( 0.000 0.000 0.000) 0.000 22.343 ( 0.000 0.000 0.000) 0.000 22.479 ( 0.000 0.000 0.000) 0.000 22.542 ( 0.000 0.000 0.000) 0.000 22.673 ( 0.000 0.000 0.000) 0.000 22.725 ( 0.000 0.000 0.000) 0.000 22.927 ( 0.000 0.000 0.000) 0.000 23.153 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/130) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.202 ( 9.074 0.000 -3.672) 9.788 0.431 ( 20.998 0.000 1.441) 21.047 0.758 ( 33.963 0.000 4.213) 34.223 1.140 ( -5.128 0.000 2.225) 5.590 1.220 ( 10.656 0.000 1.399) 10.748 1.489 ( 4.298 0.000 1.688) 4.618 1.647 ( -4.915 0.000 2.158) 5.368 1.877 ( 0.749 0.000 -0.503) 0.902 1.881 ( 2.076 0.000 -2.904) 3.570 2.045 ( -2.626 0.000 -2.352) 3.525 2.244 ( -0.521 0.000 -1.249) 1.353 2.314 ( -1.385 0.000 2.569) 2.919 2.468 ( 0.787 0.000 1.028) 1.295 2.723 ( 0.118 0.000 -0.230) 0.259 2.797 ( 7.719 0.000 2.778) 8.204 2.804 ( 6.104 0.000 -31.457) 32.043 3.099 ( -3.317 0.000 0.265) 3.328 3.138 ( 0.474 0.000 24.905) 24.909 3.207 ( 1.256 0.000 -0.244) 1.280 3.282 ( 2.040 0.000 3.548) 4.092 3.943 ( 0.307 0.000 -1.017) 1.063 4.127 ( -2.361 0.000 -2.940) 3.771 4.204 ( -6.165 0.000 -5.566) 8.306 4.514 ( 7.402 0.000 0.111) 7.403 5.630 ( 0.798 0.000 0.237) 0.832 5.690 ( -0.314 0.000 0.453) 0.551 6.167 ( -0.732 0.000 -0.396) 0.832 6.342 ( -1.233 0.000 -0.064) 1.235 6.585 ( -1.153 0.000 3.059) 3.269 7.175 ( -7.251 0.000 18.548) 19.915 8.492 ( 0.031 0.000 -0.049) 0.058 8.686 ( 0.476 0.000 0.118) 0.491 9.349 ( 0.620 0.000 -2.633) 2.705 9.431 ( 3.432 0.000 6.139) 7.033 10.711 ( 0.961 0.000 0.682) 1.178 10.896 ( 0.940 0.000 -9.010) 9.058 10.917 ( -0.826 0.000 -0.608) 1.026 11.442 ( 1.710 0.000 1.722) 2.427 11.556 ( 1.931 0.000 -1.959) 2.751 12.277 ( -1.081 0.000 2.079) 2.343 21.868 ( 0.177 0.000 -0.008) 0.177 22.345 ( 0.152 0.000 0.025) 0.154 22.432 ( -2.660 0.000 -2.534) 3.674 22.598 ( 2.881 0.000 3.676) 4.670 22.722 ( 0.241 0.000 -1.789) 1.805 22.919 ( 0.083 0.000 1.266) 1.269 23.114 ( -3.221 0.000 -1.530) 3.565 23.802 ( 0.665 0.000 -0.099) 0.672 ======================= Grid point 2 (3/130) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 5.714 0.000 -4.430) 7.230 0.858 ( 19.684 0.000 2.175) 19.804 0.998 ( -8.426 0.000 3.486) 9.119 1.294 ( 8.824 0.000 1.650) 8.977 1.368 ( 8.967 0.000 5.981) 10.779 1.534 ( -5.760 0.000 2.081) 6.124 1.663 ( 12.903 0.000 -0.288) 12.906 1.905 ( 0.562 0.000 -2.466) 2.529 1.912 ( 0.923 0.000 -2.524) 2.687 2.004 ( 1.154 0.000 -4.458) 4.605 2.221 ( -2.069 0.000 2.568) 3.298 2.294 ( -0.107 0.000 -0.022) 0.109 2.491 ( 1.271 0.000 1.346) 1.851 2.733 ( 0.924 0.000 -0.468) 1.036 2.889 ( 4.344 0.000 -9.663) 10.595 3.025 ( -3.718 0.000 0.672) 3.778 3.037 ( 9.858 0.000 -4.711) 10.926 3.175 ( 4.451 0.000 12.158) 12.947 3.202 ( -1.154 0.000 -1.598) 1.971 3.370 ( 5.373 0.000 7.103) 8.906 3.945 ( -0.108 0.000 -1.329) 1.334 4.056 ( -4.071 0.000 -5.247) 6.641 4.110 ( -2.131 0.000 -2.223) 3.079 4.661 ( 6.626 0.000 0.859) 6.681 5.652 ( 1.119 0.000 0.371) 1.179 5.680 ( -0.635 0.000 0.693) 0.940 6.148 ( -1.062 0.000 -0.595) 1.217 6.310 ( -1.624 0.000 0.050) 1.625 6.554 ( -1.808 0.000 0.887) 2.014 6.997 ( -10.401 0.000 7.263) 12.686 8.493 ( 0.084 0.000 -0.053) 0.099 8.698 ( 0.629 0.000 0.153) 0.648 9.381 ( 2.278 0.000 -1.368) 2.657 9.505 ( 2.937 0.000 5.527) 6.258 10.739 ( 1.571 0.000 1.216) 1.987 10.893 ( -1.405 0.000 -1.117) 1.794 10.940 ( 4.013 0.000 -3.768) 5.505 11.413 ( -3.630 0.000 -0.330) 3.645 11.667 ( 7.364 0.000 1.712) 7.560 12.242 ( -2.331 0.000 -3.150) 3.919 21.873 ( 0.252 0.000 -0.011) 0.252 22.349 ( 0.217 0.000 0.035) 0.220 22.385 ( -1.502 0.000 -2.388) 2.821 22.600 ( -3.150 0.000 3.188) 4.482 22.768 ( 4.065 0.000 -1.704) 4.407 22.923 ( 0.323 0.000 0.650) 0.726 23.043 ( -2.981 0.000 -1.536) 3.353 23.814 ( 0.327 0.000 1.157) 1.202 ======================= Grid point 3 (4/130) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 2.797 0.000 -3.379) 4.386 0.823 ( -8.078 0.000 2.652) 8.503 1.215 ( 13.244 0.000 0.805) 13.268 1.293 ( -1.747 0.000 0.785) 1.915 1.434 ( -3.634 0.000 1.605) 3.973 1.516 ( 3.339 0.000 6.210) 7.051 1.841 ( -1.875 0.000 -0.515) 1.944 1.917 ( -0.081 0.000 -1.311) 1.314 1.938 ( 6.124 0.000 -5.913) 8.513 2.099 ( 4.928 0.000 0.890) 5.007 2.204 ( 2.250 0.000 2.675) 3.495 2.294 ( -0.219 0.000 -1.655) 1.670 2.517 ( 1.041 0.000 0.869) 1.356 2.760 ( 1.523 0.000 -0.524) 1.611 2.955 ( -2.838 0.000 0.651) 2.912 2.958 ( 2.766 0.000 -3.417) 4.397 3.040 ( -3.530 0.000 -3.893) 5.255 3.173 ( -1.248 0.000 -1.020) 1.612 3.417 ( 11.256 0.000 5.187) 12.394 3.492 ( 5.263 0.000 6.693) 8.515 3.950 ( 1.061 0.000 0.035) 1.062 3.961 ( -4.218 0.000 -5.539) 6.962 4.101 ( 0.550 0.000 -1.246) 1.362 4.777 ( 4.189 0.000 0.507) 4.220 5.667 ( -0.640 0.000 0.529) 0.831 5.673 ( 0.797 0.000 0.292) 0.848 6.127 ( -0.777 0.000 -0.450) 0.898 6.284 ( -0.761 0.000 0.324) 0.827 6.518 ( -1.621 0.000 -0.756) 1.789 6.795 ( -8.459 0.000 3.553) 9.175 8.495 ( 0.082 0.000 -0.029) 0.087 8.709 ( 0.418 0.000 0.100) 0.430 9.427 ( 1.898 0.000 -0.602) 1.991 9.556 ( 1.571 0.000 3.180) 3.547 10.775 ( 1.697 0.000 1.458) 2.238 10.860 ( -1.597 0.000 -1.390) 2.117 11.047 ( 6.097 0.000 -1.456) 6.268 11.319 ( -5.127 0.000 -1.033) 5.230 11.820 ( 6.550 0.000 4.210) 7.787 12.177 ( -3.383 0.000 -4.920) 5.971 21.877 ( 0.179 0.000 -0.008) 0.179 22.353 ( 0.154 0.000 0.025) 0.156 22.374 ( 0.691 0.000 -2.113) 2.223 22.510 ( -4.989 0.000 2.035) 5.388 22.843 ( 2.687 0.000 -0.789) 2.800 22.937 ( 1.054 0.000 0.085) 1.058 22.997 ( -1.487 0.000 -0.445) 1.552 23.817 ( -0.052 0.000 0.860) 0.861 ======================= Grid point 4 (5/130) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.000 0.000 -0.000) 0.000 0.722 ( 0.000 0.000 -0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 -0.000) 0.000 1.397 ( 0.000 0.000 -0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.300 ( -0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 -0.000) 0.000 2.780 ( 0.000 0.000 -0.000) 0.000 2.922 ( 0.000 0.000 -0.000) 0.000 2.989 ( 0.000 0.000 -0.000) 0.000 2.989 ( -0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 -0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 -0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 -0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 5.659 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 -0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 -0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 -0.000) 0.000 8.714 ( 0.000 0.000 -0.000) 0.000 9.447 ( 0.000 0.000 -0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 10.802 ( -0.000 0.000 -0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 11.147 ( 0.000 0.000 0.000) 0.000 11.230 ( 0.000 0.000 -0.000) 0.000 11.905 ( 0.000 0.000 -0.000) 0.000 12.125 ( 0.000 0.000 -0.000) 0.000 21.879 ( 0.000 0.000 -0.000) 0.000 22.355 ( 0.000 0.000 0.000) 0.000 22.403 ( 0.000 0.000 -0.000) 0.000 22.432 ( 0.000 0.000 0.000) 0.000 22.869 ( 0.000 0.000 -0.000) 0.000 22.957 ( 0.000 0.000 0.000) 0.000 22.977 ( -0.000 0.000 -0.000) 0.000 23.816 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/130) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.143 ( 0.000 9.300 0.000) 9.300 0.397 ( 0.000 19.542 0.000) 19.542 0.771 ( 0.000 33.888 0.000) 33.888 1.047 ( 0.000 -0.042 0.000) 0.042 1.274 ( 0.000 6.820 0.000) 6.820 1.426 ( 0.000 -1.729 0.000) 1.729 1.680 ( 0.000 -1.548 0.000) 1.548 1.696 ( 0.000 -1.652 0.000) 1.652 1.926 ( 0.000 3.389 0.000) 3.389 2.082 ( 0.000 0.004 0.000) 0.004 2.219 ( 0.000 -2.617 0.000) 2.617 2.256 ( 0.000 2.849 0.000) 2.849 2.430 ( 0.000 -0.389 0.000) 0.389 2.679 ( 0.000 -2.046 0.000) 2.046 2.781 ( 0.000 6.988 0.000) 6.988 2.936 ( 0.000 12.719 0.000) 12.719 2.943 ( 0.000 3.158 0.000) 3.158 3.258 ( 0.000 8.228 0.000) 8.228 3.267 ( 0.000 0.313 0.000) 0.313 3.710 ( 0.000 -1.656 0.000) 1.656 3.978 ( 0.000 3.276 0.000) 3.276 4.184 ( 0.000 2.759 0.000) 2.759 4.326 ( 0.000 -0.477 0.000) 0.477 4.345 ( 0.000 -0.039 0.000) 0.039 5.685 ( 0.000 -0.645 0.000) 0.645 6.106 ( 0.000 -5.532 0.000) 5.532 6.259 ( 0.000 -2.329 0.000) 2.329 6.332 ( 0.000 2.021 0.000) 2.021 6.377 ( 0.000 1.371 0.000) 1.371 6.567 ( 0.000 -2.809 0.000) 2.809 8.555 ( 0.000 4.688 0.000) 4.688 8.711 ( 0.000 2.868 0.000) 2.868 9.353 ( 0.000 -1.024 0.000) 1.024 9.358 ( 0.000 -0.887 0.000) 0.887 10.834 ( 0.000 -1.015 0.000) 1.015 11.022 ( 0.000 6.478 0.000) 6.478 11.376 ( 0.000 -2.615 0.000) 2.615 11.401 ( 0.000 0.641 0.000) 0.641 11.542 ( 0.000 -0.877 0.000) 0.877 11.644 ( 0.000 -0.039 0.000) 0.039 22.355 ( 0.000 0.817 0.000) 0.817 22.484 ( 0.000 0.146 0.000) 0.146 22.521 ( 0.000 -1.900 0.000) 1.900 22.697 ( 0.000 2.931 0.000) 2.931 22.709 ( 0.000 -1.682 0.000) 1.682 22.927 ( 0.000 -0.068 0.000) 0.068 23.046 ( 0.000 -5.606 0.000) 5.606 23.270 ( 0.000 3.839 0.000) 3.839 ======================= Grid point 10 (7/130) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 15.463 11.718 2.790) 19.601 0.686 ( 18.116 12.122 0.878) 21.815 0.844 ( 13.722 21.659 0.725) 25.650 1.173 ( 4.195 -0.556 1.684) 4.554 1.260 ( 2.177 6.523 2.003) 7.162 1.466 ( 4.476 -1.381 1.143) 4.822 1.648 ( -2.673 -1.112 0.337) 2.914 1.754 ( 3.805 -3.751 -0.192) 5.347 1.984 ( 2.692 2.988 -4.855) 6.305 2.057 ( -1.758 0.937 -3.628) 4.139 2.193 ( -0.220 -2.650 2.607) 3.724 2.291 ( -0.305 -0.470 3.441) 3.486 2.486 ( 5.023 -0.462 -1.081) 5.158 2.707 ( 2.019 -0.726 1.398) 2.561 2.820 ( 4.447 4.095 2.043) 6.381 2.895 ( 0.187 9.239 -14.513) 17.206 3.005 ( 2.732 2.504 5.758) 6.847 3.260 ( -0.192 5.959 0.980) 6.042 3.296 ( 2.293 3.240 4.311) 5.860 3.468 ( -13.300 8.779 1.509) 16.008 3.973 ( -0.495 2.592 -0.762) 2.746 4.141 ( -4.012 1.235 -3.038) 5.182 4.226 ( -2.801 2.446 -1.409) 3.976 4.500 ( 7.561 -1.195 0.385) 7.665 5.649 ( -2.688 -0.367 -0.651) 2.790 5.841 ( -6.577 10.694 -1.331) 12.625 6.114 ( -1.293 -4.957 -0.750) 5.178 6.352 ( -0.970 0.944 -0.162) 1.363 6.546 ( -0.808 -3.722 4.411) 5.828 6.885 ( 10.670 -16.040 9.211) 21.353 8.555 ( 0.076 5.218 -0.437) 5.236 8.728 ( 0.990 3.367 -1.964) 4.022 9.337 ( 0.516 -0.884 -2.742) 2.926 9.413 ( 3.541 -1.211 3.331) 5.010 10.814 ( -1.703 0.173 3.078) 3.522 10.964 ( -8.650 10.019 1.195) 13.290 11.039 ( -2.537 8.903 -8.729) 12.724 11.412 ( 1.619 -2.857 1.248) 3.513 11.554 ( 2.188 -0.265 -1.795) 2.843 12.056 ( 11.612 -12.951 4.733) 18.027 22.149 ( -14.066 12.951 -4.599) 19.665 22.392 ( -3.270 2.718 6.707) 7.941 22.476 ( -1.589 7.003 -5.425) 9.000 22.579 ( 2.645 -1.763 3.176) 4.493 22.702 ( -0.277 -2.103 -1.589) 2.650 22.919 ( -0.042 0.042 1.091) 1.093 23.073 ( -1.989 -3.766 -1.671) 4.575 23.593 ( 11.543 -11.920 0.982) 16.622 ======================= Grid point 11 (8/130) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.680 27.933 -1.941) 28.008 0.920 ( 16.547 6.199 2.153) 17.801 1.089 ( -4.449 6.342 3.261) 8.406 1.268 ( 9.507 -1.821 1.743) 9.835 1.337 ( 3.488 -0.716 4.570) 5.793 1.572 ( -2.142 0.874 1.401) 2.704 1.680 ( 12.895 2.235 -0.441) 13.095 1.841 ( 4.244 -2.421 -2.427) 5.455 1.965 ( -2.655 2.536 -3.035) 4.764 2.055 ( 1.889 3.296 -4.054) 5.555 2.196 ( -0.764 -2.364 1.907) 3.132 2.270 ( -0.804 -1.629 1.837) 2.584 2.582 ( 3.848 4.210 0.733) 5.751 2.743 ( 1.635 2.912 0.212) 3.346 2.910 ( 3.137 2.683 -4.528) 6.127 2.997 ( 6.748 -0.360 -2.439) 7.184 3.050 ( 3.200 0.790 -0.348) 3.314 3.194 ( -7.204 4.794 5.453) 10.228 3.280 ( 0.144 3.549 0.602) 3.603 3.420 ( 5.290 4.662 4.693) 8.470 3.949 ( -1.585 0.212 -0.728) 1.757 4.057 ( -3.329 1.717 -4.746) 6.046 4.185 ( -1.150 5.534 -1.611) 5.877 4.650 ( 6.757 -1.045 0.949) 6.903 5.609 ( -1.249 -1.643 -0.017) 2.064 5.790 ( -0.487 7.121 0.406) 7.149 6.080 ( -1.827 -5.859 -0.556) 6.163 6.327 ( -1.246 0.971 -0.172) 1.589 6.524 ( -1.362 -2.699 1.224) 3.261 6.908 ( -5.445 -7.247 5.859) 10.793 8.557 ( 0.131 5.666 -0.518) 5.692 8.742 ( 0.603 3.844 -1.157) 4.060 9.371 ( 2.575 -0.653 -1.317) 2.965 9.493 ( 3.489 -0.943 3.722) 5.188 10.790 ( -0.373 2.461 2.514) 3.538 10.880 ( -1.013 2.743 -1.096) 3.123 11.035 ( 1.363 6.503 -3.168) 7.361 11.392 ( -3.071 -2.031 -0.349) 3.699 11.660 ( 7.132 -0.604 1.032) 7.232 12.164 ( 1.030 -6.541 -0.941) 6.689 21.980 ( -3.979 8.382 -1.643) 9.423 22.354 ( -1.094 -0.040 0.789) 1.349 22.448 ( -1.111 6.440 -1.884) 6.801 22.580 ( -3.183 -1.903 2.728) 4.604 22.736 ( 3.714 -2.995 -1.441) 4.984 22.922 ( 0.283 -0.105 0.452) 0.543 23.024 ( -2.097 -1.636 -1.265) 2.945 23.722 ( 2.914 -7.731 1.232) 8.354 ======================= Grid point 12 (9/130) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -0.744 23.867 -1.294) 23.913 0.968 ( -4.585 11.675 1.717) 12.660 1.224 ( 4.809 -0.904 -0.337) 4.905 1.286 ( 4.234 2.586 1.225) 5.110 1.450 ( 2.872 -1.733 4.777) 5.837 1.532 ( -0.542 3.731 2.463) 4.503 1.842 ( -2.050 0.393 -0.234) 2.100 1.915 ( 4.200 -0.488 -5.137) 6.653 1.955 ( 2.391 1.153 -1.610) 3.105 2.115 ( 2.110 0.852 1.517) 2.735 2.192 ( 2.505 -0.440 0.883) 2.692 2.261 ( -0.368 -2.354 -0.930) 2.558 2.652 ( 2.964 9.124 0.611) 9.613 2.784 ( 2.356 3.182 -0.115) 3.961 2.957 ( -4.031 1.389 0.514) 4.294 2.976 ( 1.831 1.628 -2.481) 3.486 3.040 ( -3.839 -0.136 -4.024) 5.564 3.195 ( 1.202 1.639 2.361) 3.116 3.378 ( 8.904 -1.321 3.491) 9.654 3.535 ( 3.927 2.495 3.744) 5.972 3.928 ( 0.061 -0.733 -0.023) 0.736 3.991 ( -2.505 2.619 -4.423) 5.718 4.176 ( 0.147 6.258 -1.069) 6.351 4.768 ( 4.280 -0.830 0.639) 4.406 5.589 ( -0.747 -2.886 0.227) 2.989 5.791 ( 0.255 6.413 0.397) 6.430 6.043 ( -1.523 -6.731 -0.359) 6.910 6.306 ( -0.654 0.764 -0.004) 1.006 6.501 ( -0.712 -1.383 -0.351) 1.595 6.765 ( -7.076 -2.731 3.070) 8.182 8.559 ( 0.080 5.790 -0.289) 5.797 8.753 ( 0.458 3.865 -0.446) 3.917 9.423 ( 2.154 -0.086 -0.586) 2.234 9.552 ( 1.903 -0.223 2.474) 3.129 10.803 ( 1.180 2.087 1.747) 2.966 10.863 ( -1.035 1.118 -0.961) 1.801 11.093 ( 4.283 3.915 -1.176) 5.920 11.308 ( -4.688 -1.010 -1.178) 4.938 11.809 ( 6.366 -1.008 3.353) 7.266 12.145 ( -2.095 -3.036 -3.492) 5.079 21.932 ( -1.137 4.868 -0.651) 5.041 22.350 ( 0.807 -0.657 -0.970) 1.422 22.425 ( -1.044 4.720 0.065) 4.834 22.493 ( -4.447 -1.321 1.047) 4.755 22.807 ( 2.566 -3.217 -0.524) 4.148 22.935 ( 1.007 -0.143 -0.063) 1.020 22.991 ( -1.102 -0.487 -0.293) 1.240 23.756 ( 0.717 -5.616 0.814) 5.720 ======================= Grid point 13 (10/130) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 21.522 -0.000) 21.522 0.913 ( -0.000 15.390 0.000) 15.390 1.217 ( 0.000 -3.389 0.000) 3.389 1.376 ( 0.000 1.128 0.000) 1.128 1.474 ( 0.000 5.377 -0.000) 5.377 1.562 ( 0.000 0.529 0.000) 0.529 1.798 ( 0.000 0.345 -0.000) 0.345 1.937 ( 0.000 1.457 0.000) 1.457 1.986 ( 0.000 -0.356 -0.000) 0.356 2.134 ( 0.000 -1.307 -0.000) 1.307 2.219 ( 0.000 -2.390 0.000) 2.390 2.275 ( 0.000 -0.865 0.000) 0.865 2.690 ( -0.000 12.565 -0.000) 12.565 2.827 ( 0.000 4.023 0.000) 4.023 2.881 ( -0.000 -2.280 0.000) 2.280 2.989 ( 0.000 -0.648 0.000) 0.648 3.010 ( 0.000 1.568 0.000) 1.568 3.199 ( 0.000 3.947 0.000) 3.947 3.524 ( -0.000 -1.098 0.000) 1.098 3.542 ( 0.000 -1.631 0.000) 1.631 3.938 ( 0.000 3.605 -0.000) 3.605 3.962 ( 0.000 -0.781 0.000) 0.781 4.178 ( 0.000 6.158 -0.000) 6.158 4.815 ( 0.000 -0.745 -0.000) 0.745 5.580 ( 0.000 -3.303 0.000) 3.303 5.794 ( 0.000 6.337 -0.000) 6.337 6.025 ( 0.000 -7.180 -0.000) 7.180 6.301 ( 0.000 0.341 0.000) 0.341 6.495 ( 0.000 -0.068 -0.000) 0.068 6.682 ( 0.000 -1.808 -0.000) 1.808 8.560 ( 0.000 5.793 0.000) 5.793 8.758 ( 0.000 3.907 -0.000) 3.907 9.447 ( 0.000 0.179 -0.000) 0.179 9.573 ( 0.000 0.071 -0.000) 0.071 10.830 ( 0.000 2.690 0.000) 2.690 10.838 ( -0.000 0.409 -0.000) 0.409 11.178 ( 0.000 2.915 -0.000) 2.915 11.219 ( 0.000 -1.038 -0.000) 1.038 11.890 ( -0.000 -1.412 0.000) 1.412 12.109 ( 0.000 -1.667 -0.000) 1.667 21.921 ( 0.000 3.864 0.000) 3.864 22.385 ( 0.000 0.857 -0.000) 0.857 22.390 ( -0.000 -1.226 0.000) 1.226 22.441 ( 0.000 2.523 0.000) 2.523 22.833 ( 0.000 -3.181 -0.000) 3.181 22.952 ( 0.000 -0.445 0.000) 0.445 22.976 ( 0.000 0.018 -0.000) 0.018 23.762 ( 0.000 -5.033 -0.000) 5.033 ======================= Grid point 18 (11/130) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 0.000 10.993 0.000) 10.993 0.788 ( 0.000 18.414 0.000) 18.414 0.954 ( 0.000 -3.313 0.000) 3.313 1.393 ( 0.000 -0.765 0.000) 0.765 1.425 ( 0.000 7.125 0.000) 7.125 1.456 ( 0.000 26.232 0.000) 26.232 1.655 ( 0.000 -2.080 0.000) 2.080 1.671 ( 0.000 0.937 0.000) 0.937 1.930 ( 0.000 -2.162 0.000) 2.162 2.044 ( 0.000 -4.157 0.000) 4.157 2.176 ( 0.000 -1.337 0.000) 1.337 2.293 ( 0.000 0.119 0.000) 0.119 2.436 ( 0.000 1.070 0.000) 1.070 2.628 ( 0.000 -3.070 0.000) 3.070 2.992 ( 0.000 3.960 0.000) 3.960 3.031 ( 0.000 13.080 0.000) 13.080 3.125 ( 0.000 0.482 0.000) 0.482 3.365 ( 0.000 12.799 0.000) 12.799 3.478 ( 0.000 12.493 0.000) 12.493 3.690 ( 0.000 0.351 0.000) 0.351 4.053 ( 0.000 3.665 0.000) 3.665 4.246 ( 0.000 2.546 0.000) 2.546 4.321 ( 0.000 0.092 0.000) 0.092 4.352 ( 0.000 1.084 0.000) 1.084 5.672 ( 0.000 -0.546 0.000) 0.546 5.972 ( 0.000 -7.459 0.000) 7.459 6.217 ( 0.000 -1.607 0.000) 1.607 6.339 ( 0.000 -1.776 0.000) 1.776 6.401 ( 0.000 1.046 0.000) 1.046 6.512 ( 0.000 -1.864 0.000) 1.864 8.676 ( 0.000 6.544 0.000) 6.544 8.783 ( 0.000 3.780 0.000) 3.780 9.328 ( 0.000 -1.295 0.000) 1.295 9.335 ( 0.000 -1.335 0.000) 1.335 10.852 ( 0.000 2.788 0.000) 2.788 11.161 ( 0.000 6.953 0.000) 6.953 11.300 ( 0.000 -4.732 0.000) 4.732 11.423 ( 0.000 1.535 0.000) 1.535 11.519 ( 0.000 -1.371 0.000) 1.371 11.631 ( 0.000 -1.364 0.000) 1.364 22.369 ( 0.000 0.697 0.000) 0.697 22.471 ( 0.000 -1.432 0.000) 1.432 22.473 ( 0.000 -2.559 0.000) 2.559 22.650 ( 0.000 -4.115 0.000) 4.115 22.810 ( 0.000 7.980 0.000) 7.980 22.925 ( 0.000 -0.145 0.000) 0.145 22.954 ( 0.000 -3.139 0.000) 3.139 23.317 ( 0.000 0.568 0.000) 0.568 ======================= Grid point 19 (12/130) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 23.362 4.630 8.265) 25.209 0.888 ( 10.369 14.294 -4.379) 18.194 1.106 ( 9.266 -1.872 2.577) 9.798 1.375 ( -2.046 9.882 2.511) 10.400 1.432 ( -0.615 10.029 0.325) 10.053 1.470 ( 3.674 8.954 -2.874) 10.096 1.601 ( -0.713 -1.753 -1.628) 2.496 1.745 ( 4.340 2.216 0.817) 4.941 1.973 ( 4.049 -2.926 -1.322) 5.168 2.060 ( 0.498 -1.392 -3.868) 4.141 2.150 ( -1.904 -1.946 0.968) 2.889 2.284 ( -1.619 -0.827 2.944) 3.460 2.485 ( 4.874 0.678 -0.540) 4.951 2.665 ( 3.724 -3.003 1.670) 5.067 2.980 ( -3.619 8.088 1.430) 8.975 3.024 ( 2.687 4.916 -2.794) 6.260 3.134 ( 0.718 3.541 -2.673) 4.495 3.363 ( -0.316 10.470 -0.221) 10.477 3.487 ( -0.846 10.665 5.387) 11.978 3.573 ( -8.295 4.767 -1.829) 9.740 4.030 ( -2.778 2.626 0.073) 3.823 4.185 ( -3.052 3.193 -3.198) 5.453 4.297 ( -0.239 3.941 1.487) 4.219 4.471 ( 7.224 -1.469 0.660) 7.402 5.638 ( -2.662 -0.468 -0.121) 2.705 5.946 ( -2.247 -4.803 -0.248) 5.308 6.038 ( -6.247 2.606 -2.553) 7.234 6.367 ( -2.359 -0.675 0.344) 2.477 6.451 ( 2.149 -3.903 4.356) 6.231 6.667 ( 9.381 -6.475 1.753) 11.532 8.682 ( 0.601 6.708 -0.865) 6.790 8.805 ( 1.638 3.792 -2.724) 4.948 9.321 ( 0.930 -0.612 -2.063) 2.345 9.387 ( 3.566 -1.325 2.238) 4.414 10.835 ( -1.243 2.521 1.443) 3.159 11.112 ( -5.862 5.069 3.707) 8.590 11.229 ( -5.943 8.390 -6.472) 12.149 11.339 ( 1.684 -3.610 -0.744) 4.052 11.542 ( 2.714 -1.003 -1.364) 3.199 11.855 ( 10.995 -7.535 5.858) 14.560 22.282 ( -6.685 3.052 -6.293) 9.675 22.413 ( -4.045 0.219 3.226) 5.179 22.528 ( 2.841 -2.738 2.377) 4.606 22.632 ( -1.327 -4.674 -0.873) 4.936 22.701 ( -4.907 11.579 0.275) 12.579 22.920 ( -0.153 0.026 0.504) 0.527 22.994 ( 0.768 -2.931 -1.962) 3.610 23.426 ( 7.368 -5.589 1.353) 9.346 ======================= Grid point 20 (13/130) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 11.261 8.924 4.486) 15.053 1.146 ( 4.201 2.701 0.483) 5.018 1.191 ( 5.119 1.698 1.839) 5.698 1.346 ( -0.304 16.322 -1.088) 16.361 1.409 ( -1.407 6.674 1.680) 7.024 1.549 ( 2.684 -2.088 0.040) 3.400 1.707 ( 10.042 -0.511 -2.587) 10.382 1.850 ( 4.604 3.846 1.310) 6.140 2.015 ( -1.961 1.861 -3.755) 4.627 2.086 ( 3.624 -0.276 -4.962) 6.151 2.131 ( 1.019 -3.804 1.917) 4.380 2.238 ( -2.336 -1.555 3.101) 4.182 2.607 ( 5.995 0.290 0.759) 6.050 2.777 ( 5.561 -0.931 0.897) 5.710 2.940 ( 0.804 0.925 3.065) 3.301 3.082 ( 3.326 4.186 -4.815) 7.195 3.144 ( 0.102 5.849 -4.135) 7.164 3.284 ( -10.718 3.020 3.027) 11.540 3.376 ( -0.627 9.866 4.081) 10.695 3.559 ( 2.332 8.434 0.725) 8.780 3.956 ( -3.212 0.844 0.239) 3.329 4.135 ( -2.168 5.333 -4.552) 7.339 4.304 ( 0.760 5.809 0.389) 5.872 4.623 ( 6.955 -1.571 1.233) 7.236 5.586 ( -2.161 -0.594 0.092) 2.243 5.905 ( -1.312 -1.387 -0.519) 1.978 5.958 ( -2.546 -0.526 -0.338) 2.621 6.318 ( -2.223 -2.647 -0.204) 3.463 6.475 ( 0.383 -0.984 1.201) 1.599 6.759 ( -0.539 -6.740 3.254) 7.504 8.694 ( 0.571 7.100 -1.152) 7.216 8.829 ( 0.882 4.085 -2.711) 4.981 9.367 ( 3.338 0.432 -0.928) 3.491 9.474 ( 4.335 -0.795 1.972) 4.828 10.821 ( -0.067 1.938 1.566) 2.493 10.989 ( -4.548 5.599 1.900) 7.460 11.174 ( -0.784 6.578 -1.575) 6.809 11.342 ( -1.444 -2.237 -2.003) 3.332 11.644 ( 6.696 -0.886 -0.006) 6.754 12.015 ( 4.430 -7.602 1.910) 9.004 22.139 ( -5.671 6.631 -4.037) 9.614 22.352 ( -2.002 -0.009 1.180) 2.323 22.518 ( -3.646 -3.245 3.253) 5.865 22.594 ( -2.808 0.904 -3.881) 4.875 22.689 ( 3.271 3.820 1.652) 5.294 22.920 ( 0.271 -0.013 0.029) 0.273 22.993 ( -0.315 -0.930 -1.007) 1.407 23.549 ( 4.192 -8.605 1.217) 9.649 ======================= Grid point 21 (14/130) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -1.128 2.070 1.422) 2.753 1.196 ( -1.863 10.085 0.044) 10.256 1.306 ( 0.705 12.744 -2.427) 12.992 1.379 ( 1.860 2.882 0.814) 3.526 1.442 ( 7.432 6.085 5.118) 10.884 1.600 ( 2.177 2.214 0.152) 3.109 1.865 ( -1.380 1.460 0.591) 2.094 1.884 ( 5.118 -2.328 -3.334) 6.537 1.967 ( -1.956 -0.352 -1.010) 2.229 2.110 ( -1.063 -1.046 2.987) 3.339 2.188 ( 1.535 -0.761 -5.750) 6.000 2.238 ( 3.089 0.746 2.121) 3.821 2.719 ( 4.767 0.120 1.054) 4.884 2.854 ( 3.012 0.609 -0.342) 3.092 2.975 ( -0.912 -1.731 2.785) 3.403 3.030 ( -7.277 0.634 -2.747) 7.804 3.153 ( -0.051 13.059 -1.514) 13.146 3.220 ( 5.566 0.878 0.946) 5.714 3.408 ( 3.451 4.881 3.605) 6.980 3.587 ( -0.539 3.146 -0.250) 3.201 3.929 ( 0.687 0.825 0.462) 1.168 4.082 ( -2.286 5.983 -3.366) 7.236 4.320 ( 0.605 7.429 -0.291) 7.460 4.745 ( 4.382 -1.517 0.932) 4.729 5.550 ( -1.320 -0.935 0.201) 1.630 5.884 ( -1.052 -6.069 -0.454) 6.176 5.921 ( -0.854 3.723 0.198) 3.824 6.280 ( -1.324 -3.396 -0.318) 3.658 6.483 ( 0.574 0.029 0.078) 0.580 6.695 ( -4.465 -3.884 2.137) 6.292 8.701 ( 0.201 7.378 -0.743) 7.418 8.841 ( 0.550 4.166 -1.346) 4.412 9.435 ( 2.818 1.473 -0.446) 3.211 9.552 ( 2.721 0.244 1.424) 3.081 10.834 ( 1.074 1.391 0.951) 1.998 10.927 ( -2.066 4.209 0.900) 4.774 11.175 ( 0.836 3.229 0.878) 3.449 11.293 ( -2.601 0.355 -2.765) 3.813 11.783 ( 5.838 -1.408 1.605) 6.216 12.060 ( 0.346 -5.121 -1.004) 5.230 22.052 ( -2.625 6.429 -1.807) 7.175 22.333 ( 0.169 -0.853 -0.634) 1.076 22.432 ( -4.302 -2.918 2.240) 5.660 22.537 ( -2.099 1.711 -1.553) 3.121 22.757 ( 2.483 0.726 0.495) 2.634 22.931 ( 0.657 -0.315 -0.182) 0.751 22.987 ( -0.100 0.608 -0.250) 0.665 23.608 ( 1.640 -8.461 0.703) 8.647 ======================= Grid point 22 (15/130) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 0.079 -0.000) 0.079 1.154 ( 0.000 13.339 0.000) 13.339 1.294 ( 0.000 13.736 0.000) 13.736 1.396 ( 0.000 2.017 0.000) 2.017 1.559 ( 0.000 4.698 -0.000) 4.698 1.627 ( -0.000 3.949 0.000) 3.949 1.825 ( 0.000 2.333 -0.000) 2.333 1.943 ( 0.000 -3.324 0.000) 3.324 1.947 ( -0.000 -1.655 0.000) 1.655 2.093 ( 0.000 -2.343 -0.000) 2.343 2.189 ( 0.000 0.340 -0.000) 0.340 2.282 ( 0.000 1.080 0.000) 1.080 2.788 ( -0.000 -1.545 0.000) 1.545 2.912 ( 0.000 3.632 0.000) 3.632 2.915 ( -0.000 0.901 -0.000) 0.901 2.945 ( 0.000 -3.575 0.000) 3.575 3.159 ( 0.000 14.119 -0.000) 14.119 3.282 ( 0.000 2.665 -0.000) 2.665 3.515 ( -0.000 0.193 -0.000) 0.193 3.524 ( 0.000 1.924 0.000) 1.924 3.951 ( 0.000 -0.058 0.000) 0.058 4.051 ( 0.000 6.858 -0.000) 6.858 4.326 ( 0.000 7.889 -0.000) 7.889 4.792 ( 0.000 -1.537 -0.000) 1.537 5.535 ( 0.000 -1.074 0.000) 1.074 5.869 ( 0.000 -7.772 0.000) 7.772 5.916 ( 0.000 5.310 -0.000) 5.310 6.266 ( 0.000 -3.551 0.000) 3.551 6.495 ( -0.000 0.174 -0.000) 0.174 6.636 ( 0.000 -2.549 -0.000) 2.549 8.703 ( 0.000 7.437 0.000) 7.437 8.847 ( 0.000 4.175 -0.000) 4.175 9.466 ( 0.000 1.931 -0.000) 1.931 9.581 ( 0.000 0.772 -0.000) 0.772 10.852 ( 0.000 0.951 -0.000) 0.951 10.902 ( 0.000 3.884 -0.000) 3.884 11.195 ( 0.000 -0.944 -0.000) 0.944 11.254 ( 0.000 3.996 0.000) 3.996 11.853 ( -0.000 -1.984 0.000) 1.984 12.055 ( 0.000 -3.602 -0.000) 3.602 22.024 ( 0.000 5.982 0.000) 5.982 22.358 ( 0.000 -1.795 -0.000) 1.795 22.362 ( -0.000 -1.987 0.000) 1.987 22.513 ( 0.000 1.266 -0.000) 1.266 22.783 ( 0.000 0.227 0.000) 0.227 22.939 ( 0.000 -0.804 0.000) 0.804 22.987 ( 0.000 1.443 -0.000) 1.443 23.624 ( 0.000 -8.179 -0.000) 8.179 ======================= Grid point 27 (16/130) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 9.600 0.000) 9.600 0.867 ( 0.000 -5.134 0.000) 5.134 1.122 ( 0.000 13.657 0.000) 13.657 1.379 ( 0.000 -0.859 0.000) 0.859 1.541 ( 0.000 3.914 0.000) 3.914 1.609 ( 0.000 -1.694 0.000) 1.694 1.726 ( 0.000 4.102 0.000) 4.102 1.858 ( 0.000 7.564 0.000) 7.564 1.888 ( 0.000 -0.490 0.000) 0.490 1.954 ( 0.000 -0.369 0.000) 0.369 2.151 ( 0.000 -0.902 0.000) 0.902 2.270 ( 0.000 -2.105 0.000) 2.105 2.464 ( 0.000 1.380 0.000) 1.380 2.554 ( 0.000 -3.838 0.000) 3.838 3.019 ( 0.000 0.377 0.000) 0.377 3.069 ( 0.000 -3.293 0.000) 3.293 3.311 ( 0.000 11.665 0.000) 11.665 3.547 ( 0.000 0.936 0.000) 0.936 3.727 ( 0.000 11.025 0.000) 11.025 3.798 ( 0.000 9.869 0.000) 9.869 4.121 ( 0.000 3.417 0.000) 3.417 4.265 ( 0.000 -0.654 0.000) 0.654 4.332 ( 0.000 0.970 0.000) 0.970 4.381 ( 0.000 0.760 0.000) 0.760 5.668 ( 0.000 0.396 0.000) 0.396 5.816 ( 0.000 -7.226 0.000) 7.226 6.199 ( 0.000 -0.026 0.000) 0.026 6.276 ( 0.000 -3.518 0.000) 3.518 6.426 ( 0.000 1.469 0.000) 1.469 6.488 ( 0.000 -1.049 0.000) 1.049 8.797 ( 0.000 4.891 0.000) 4.891 8.848 ( 0.000 2.198 0.000) 2.198 9.306 ( 0.000 -0.803 0.000) 0.803 9.309 ( 0.000 -1.008 0.000) 1.008 10.939 ( 0.000 5.480 0.000) 5.480 11.190 ( 0.000 -5.961 0.000) 5.961 11.297 ( 0.000 6.191 0.000) 6.191 11.465 ( 0.000 2.540 0.000) 2.540 11.480 ( 0.000 -2.613 0.000) 2.613 11.588 ( 0.000 -2.831 0.000) 2.831 22.390 ( 0.000 1.365 0.000) 1.365 22.427 ( 0.000 -1.733 0.000) 1.733 22.440 ( 0.000 -1.040 0.000) 1.040 22.552 ( 0.000 -5.044 0.000) 5.044 22.918 ( 0.000 -0.705 0.000) 0.705 22.920 ( 0.000 -0.260 0.000) 0.260 22.996 ( 0.000 9.476 0.000) 9.476 23.287 ( 0.000 -3.569 0.000) 3.569 ======================= Grid point 28 (17/130) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 19.230 5.145 4.912) 20.504 1.027 ( 11.061 -2.889 2.171) 11.637 1.193 ( 6.093 11.489 -1.427) 13.082 1.416 ( 3.219 -0.667 1.744) 3.721 1.515 ( -1.261 3.000 -1.264) 3.491 1.553 ( -2.586 -0.774 -2.088) 3.413 1.757 ( -0.420 6.620 -1.865) 6.891 1.867 ( 3.445 6.307 -3.260) 7.891 1.913 ( 4.301 -1.354 1.819) 4.862 2.005 ( 2.154 -2.445 -0.702) 3.333 2.124 ( -2.374 0.038 -0.162) 2.380 2.254 ( -1.877 -2.079 2.431) 3.709 2.506 ( 4.227 1.187 -0.072) 4.391 2.594 ( 4.036 -3.639 1.429) 5.619 3.025 ( -0.010 0.647 -3.100) 3.167 3.097 ( 2.582 -2.019 0.392) 3.301 3.247 ( -4.986 9.601 -0.843) 10.852 3.475 ( -6.813 -0.894 -2.303) 7.247 3.698 ( -3.037 9.854 3.965) 11.047 3.771 ( -1.877 10.405 1.251) 10.647 4.089 ( -3.416 4.368 -0.293) 5.553 4.253 ( -0.053 2.386 -3.833) 4.516 4.361 ( 1.307 2.020 3.014) 3.856 4.441 ( 6.068 -1.556 1.050) 6.352 5.638 ( -2.376 0.737 0.202) 2.496 5.800 ( -1.404 -7.281 0.057) 7.416 6.110 ( -4.537 3.316 -2.008) 5.968 6.281 ( -2.065 -5.581 1.113) 6.054 6.451 ( 2.580 2.140 0.856) 3.459 6.572 ( 5.265 -3.629 0.814) 6.446 8.805 ( 0.784 4.943 -1.605) 5.256 8.866 ( 1.480 1.895 -2.608) 3.547 9.317 ( 2.165 0.361 -0.637) 2.285 9.360 ( 3.788 -1.314 1.729) 4.367 10.916 ( -1.896 5.126 1.932) 5.797 11.137 ( -4.389 -3.303 4.633) 7.185 11.318 ( 0.200 2.333 -4.813) 5.353 11.371 ( -3.393 4.830 -4.685) 7.536 11.523 ( 3.905 0.069 0.424) 3.928 11.718 ( 7.741 -6.305 5.132) 11.226 22.333 ( -3.478 2.481 -3.867) 5.763 22.411 ( -2.275 -0.362 1.151) 2.575 22.475 ( 1.755 -2.172 1.223) 3.049 22.526 ( -2.163 -5.126 -1.257) 5.704 22.881 ( -2.523 3.795 2.327) 5.117 22.921 ( -0.218 -0.192 0.064) 0.297 23.004 ( 0.729 6.094 -2.086) 6.483 23.317 ( 2.478 -5.879 1.019) 6.461 ======================= Grid point 29 (18/130) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 2.853 0.575 3.137) 4.280 1.180 ( 6.233 -0.918 1.463) 6.468 1.318 ( 6.792 9.470 1.377) 11.735 1.506 ( 3.687 0.337 0.557) 3.744 1.520 ( 2.475 1.973 -1.359) 3.445 1.585 ( 5.143 2.066 0.491) 5.564 1.735 ( 0.485 6.182 -4.408) 7.608 1.944 ( 0.112 2.341 1.380) 2.720 2.033 ( 3.083 0.196 -4.137) 5.163 2.055 ( 3.503 -1.824 0.943) 4.061 2.076 ( 2.753 -0.095 -2.283) 3.578 2.204 ( -2.383 -1.995 3.548) 4.717 2.622 ( 6.096 1.192 0.573) 6.238 2.725 ( 7.727 -3.516 2.042) 8.731 2.986 ( -3.448 3.373 -1.415) 5.027 3.148 ( 0.834 -2.590 -3.770) 4.649 3.170 ( -1.275 4.177 -1.450) 4.602 3.303 ( -7.289 -0.835 2.211) 7.663 3.627 ( -3.340 9.616 3.228) 10.679 3.730 ( -2.433 6.426 1.144) 6.965 4.015 ( -2.732 6.456 -0.461) 7.026 4.231 ( -1.889 2.479 -3.432) 4.636 4.414 ( 3.216 5.111 1.571) 6.240 4.583 ( 6.737 -2.487 1.479) 7.332 5.590 ( -2.114 1.208 0.344) 2.459 5.767 ( -1.652 -7.231 -0.135) 7.419 6.040 ( -2.176 4.275 -0.935) 4.887 6.228 ( -2.479 -5.263 -0.524) 5.842 6.492 ( 1.010 2.140 0.840) 2.511 6.639 ( 0.703 -5.016 1.732) 5.353 8.822 ( 0.797 4.979 -1.918) 5.395 8.890 ( 0.924 1.622 -3.061) 3.585 9.391 ( 4.603 1.841 -0.016) 4.958 9.458 ( 5.245 -0.909 1.282) 5.475 10.883 ( -1.136 4.103 2.068) 4.733 11.047 ( -4.129 -0.852 3.552) 5.513 11.270 ( -2.747 3.299 -0.272) 4.301 11.345 ( -0.601 1.991 -4.845) 5.272 11.640 ( 6.700 1.264 0.050) 6.819 11.861 ( 5.466 -7.435 2.506) 9.562 22.253 ( -3.675 4.875 -4.599) 7.643 22.359 ( -2.463 0.777 1.591) 3.034 22.443 ( -3.797 -3.674 0.727) 5.333 22.505 ( -0.722 -5.480 -1.310) 5.681 22.843 ( -0.913 5.755 1.673) 6.062 22.918 ( -0.023 -0.417 0.069) 0.424 23.022 ( 1.177 5.255 -1.019) 5.480 23.375 ( 2.747 -8.698 0.973) 9.173 ======================= Grid point 30 (19/130) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -1.080 1.444 0.147) 1.810 1.234 ( 0.071 -2.543 -0.106) 2.547 1.469 ( 5.267 6.688 2.729) 8.939 1.543 ( 0.204 5.995 -0.227) 6.003 1.596 ( 4.371 4.386 -0.710) 6.233 1.668 ( 3.097 6.024 0.440) 6.788 1.797 ( 3.941 -4.167 -1.910) 6.045 1.903 ( -2.471 -1.418 0.319) 2.867 1.967 ( -3.930 2.962 -0.231) 4.926 2.088 ( -2.334 -1.118 1.229) 2.865 2.184 ( 4.276 0.699 -3.216) 5.396 2.250 ( 4.671 -0.469 1.119) 4.825 2.727 ( 3.593 1.171 0.760) 3.855 2.841 ( 2.168 -2.440 -0.155) 3.268 2.930 ( -1.391 0.044 0.945) 1.682 3.037 ( -6.905 -1.186 -0.733) 7.044 3.226 ( 5.073 0.898 -0.349) 5.164 3.282 ( 2.689 0.102 0.064) 2.691 3.585 ( -0.797 8.221 2.294) 8.572 3.673 ( -2.995 4.293 -0.198) 5.238 3.986 ( -0.323 5.984 -0.487) 6.013 4.185 ( -1.861 2.455 -1.964) 3.654 4.471 ( 1.891 7.339 0.389) 7.589 4.700 ( 4.108 -3.106 1.050) 5.256 5.554 ( -1.316 1.492 0.297) 2.011 5.735 ( -1.338 -6.937 -0.192) 7.068 6.013 ( -0.577 4.066 -0.312) 4.119 6.188 ( -1.235 -4.976 -0.637) 5.167 6.501 ( 0.152 1.623 0.348) 1.667 6.615 ( -2.395 -3.786 1.360) 4.681 8.832 ( 0.326 5.022 -1.161) 5.165 8.902 ( 0.506 1.522 -1.704) 2.340 9.483 ( 3.690 2.951 -0.088) 4.726 9.557 ( 3.711 -0.046 0.736) 3.783 10.875 ( 0.072 2.653 1.183) 2.906 10.980 ( -2.533 0.034 1.994) 3.224 11.225 ( -1.541 3.085 0.728) 3.524 11.325 ( -0.802 1.256 -2.718) 3.100 11.769 ( 5.126 0.715 0.366) 5.189 11.944 ( 2.371 -6.041 0.254) 6.495 22.183 ( -2.499 6.391 -2.778) 7.403 22.323 ( -0.984 0.125 0.500) 1.111 22.368 ( -3.131 -3.070 0.417) 4.405 22.471 ( -1.929 -5.978 -0.384) 6.293 22.842 ( 0.296 4.400 0.695) 4.464 22.919 ( 0.090 -0.851 0.004) 0.855 23.048 ( 1.223 6.178 -0.270) 6.304 23.423 ( 1.681 -9.576 0.541) 9.738 ======================= Grid point 31 (20/130) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.000 1.465 -0.000) 1.465 1.231 ( 0.000 -2.199 0.000) 2.199 1.522 ( 0.000 7.635 0.000) 7.635 1.536 ( 0.000 8.442 0.000) 8.442 1.655 ( 0.000 2.853 0.000) 2.853 1.714 ( 0.000 5.429 -0.000) 5.429 1.826 ( 0.000 -5.454 0.000) 5.454 1.886 ( 0.000 -2.916 0.000) 2.916 1.916 ( 0.000 3.430 -0.000) 3.430 2.053 ( 0.000 -1.621 0.000) 1.621 2.232 ( 0.000 2.955 -0.000) 2.955 2.296 ( 0.000 -0.043 0.000) 0.043 2.766 ( 0.000 -0.164 0.000) 0.164 2.857 ( -0.000 -4.380 -0.000) 4.380 2.910 ( 0.000 0.157 -0.000) 0.157 2.957 ( 0.000 0.418 0.000) 0.418 3.298 ( 0.000 -0.107 -0.000) 0.107 3.323 ( 0.000 0.852 -0.000) 0.852 3.597 ( 0.000 4.250 0.000) 4.250 3.620 ( 0.000 7.307 -0.000) 7.307 3.986 ( 0.000 4.714 0.000) 4.714 4.163 ( -0.000 2.585 -0.000) 2.585 4.490 ( 0.000 8.122 0.000) 8.122 4.744 ( 0.000 -3.441 -0.000) 3.441 5.540 ( 0.000 1.599 0.000) 1.599 5.719 ( 0.000 -6.732 0.000) 6.732 6.008 ( 0.000 3.910 -0.000) 3.910 6.176 ( 0.000 -4.776 0.000) 4.776 6.505 ( 0.000 0.884 -0.000) 0.884 6.582 ( 0.000 -2.653 0.000) 2.653 8.834 ( 0.000 5.065 0.000) 5.065 8.907 ( 0.000 1.448 -0.000) 1.448 9.524 ( 0.000 3.383 -0.000) 3.383 9.598 ( 0.000 0.433 -0.000) 0.433 10.879 ( 0.000 1.786 -0.000) 1.786 10.952 ( 0.000 0.283 0.000) 0.283 11.209 ( 0.000 2.869 -0.000) 2.869 11.315 ( 0.000 1.233 0.000) 1.233 11.827 ( 0.000 0.085 0.000) 0.085 11.966 ( 0.000 -4.917 -0.000) 4.917 22.155 ( 0.000 6.700 -0.000) 6.700 22.322 ( 0.000 -1.709 0.000) 1.709 22.325 ( -0.000 -1.197 -0.000) 1.197 22.448 ( 0.000 -6.122 0.000) 6.122 22.846 ( 0.000 3.629 -0.000) 3.629 22.920 ( 0.000 -1.045 0.000) 1.045 23.062 ( 0.000 6.584 0.000) 6.584 23.441 ( 0.000 -9.636 -0.000) 9.636 ======================= Grid point 36 (21/130) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 -7.252 0.000) 7.252 0.742 ( 0.000 7.252 0.000) 7.252 1.322 ( 0.000 -5.792 0.000) 5.792 1.322 ( 0.000 5.792 0.000) 5.792 1.586 ( 0.000 -0.946 0.000) 0.946 1.586 ( 0.000 0.946 0.000) 0.946 1.804 ( 0.000 -4.024 0.000) 4.024 1.804 ( 0.000 4.024 0.000) 4.024 1.954 ( 0.000 -5.034 0.000) 5.034 1.954 ( 0.000 5.034 0.000) 5.034 2.203 ( 0.000 -4.602 0.000) 4.602 2.203 ( 0.000 4.602 0.000) 4.602 2.494 ( 0.000 -1.923 0.000) 1.923 2.494 ( 0.000 1.923 0.000) 1.923 3.027 ( 0.000 -0.878 0.000) 0.878 3.027 ( 0.000 0.878 0.000) 0.878 3.487 ( 0.000 -5.795 0.000) 5.795 3.487 ( 0.000 5.795 0.000) 5.795 3.883 ( 0.000 -2.957 0.000) 2.957 3.883 ( 0.000 2.957 0.000) 2.957 4.214 ( 0.000 -4.609 0.000) 4.609 4.214 ( 0.000 4.609 0.000) 4.609 4.363 ( 0.000 -1.941 0.000) 1.941 4.363 ( 0.000 1.941 0.000) 1.941 5.703 ( 0.000 -3.507 0.000) 3.507 5.703 ( 0.000 3.507 0.000) 3.507 6.218 ( 0.000 -1.951 0.000) 1.951 6.218 ( 0.000 1.951 0.000) 1.951 6.460 ( 0.000 -1.698 0.000) 1.698 6.460 ( 0.000 1.698 0.000) 1.698 8.861 ( 0.000 -1.191 0.000) 1.191 8.861 ( 0.000 1.191 0.000) 1.191 9.298 ( 0.000 -0.071 0.000) 0.071 9.298 ( 0.000 0.071 0.000) 0.071 11.063 ( 0.000 -6.353 0.000) 6.353 11.063 ( 0.000 6.353 0.000) 6.353 11.408 ( 0.000 -4.567 0.000) 4.567 11.408 ( 0.000 4.567 0.000) 4.567 11.524 ( 0.000 -3.180 0.000) 3.180 11.524 ( 0.000 3.180 0.000) 3.180 22.407 ( 0.000 -0.384 0.000) 0.384 22.407 ( 0.000 0.384 0.000) 0.384 22.462 ( 0.000 -3.343 0.000) 3.343 22.462 ( 0.000 3.343 0.000) 3.343 22.914 ( 0.000 -0.194 0.000) 0.194 22.914 ( 0.000 0.194 0.000) 0.194 23.173 ( 0.000 -7.443 0.000) 7.443 23.173 ( 0.000 7.443 0.000) 7.443 ======================= Grid point 38 (22/130) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 14.688 -4.633 3.386) 15.769 0.946 ( 14.688 4.633 3.386) 15.769 1.366 ( 3.764 -4.991 -0.201) 6.255 1.366 ( 3.764 4.991 -0.201) 6.255 1.546 ( -2.115 -0.422 -2.015) 2.952 1.546 ( -2.115 0.422 -2.015) 2.952 1.850 ( 3.809 -2.799 0.113) 4.728 1.850 ( 3.809 2.799 0.113) 4.728 1.954 ( 0.482 -3.568 -2.935) 4.645 1.954 ( 0.482 3.568 -2.935) 4.645 2.190 ( -1.635 -4.433 2.612) 5.399 2.190 ( -1.635 4.433 2.612) 5.399 2.535 ( 4.123 -1.948 0.636) 4.605 2.535 ( 4.123 1.948 0.636) 4.605 3.051 ( 1.972 -2.021 -2.237) 3.602 3.051 ( 1.972 2.021 -2.237) 3.602 3.405 ( -7.073 -5.637 -0.684) 9.070 3.405 ( -7.073 5.637 -0.684) 9.070 3.838 ( -3.917 -3.154 2.775) 5.744 3.838 ( -3.917 3.154 2.775) 5.744 4.220 ( -0.501 -5.955 -2.207) 6.371 4.220 ( -0.501 5.955 -2.207) 6.371 4.401 ( 4.150 -2.298 2.039) 5.164 4.401 ( 4.150 2.298 2.039) 5.164 5.682 ( -1.733 -3.913 0.270) 4.288 5.682 ( -1.733 3.913 0.270) 4.288 6.182 ( -2.730 -4.055 -0.895) 4.970 6.182 ( -2.730 4.055 -0.895) 4.970 6.505 ( 3.161 -2.981 0.800) 4.418 6.505 ( 3.161 2.981 0.800) 4.418 8.872 ( 1.001 -1.480 -2.279) 2.895 8.872 ( 1.001 1.480 -2.279) 2.895 9.334 ( 3.415 -1.150 0.831) 3.698 9.334 ( 3.415 1.150 0.831) 3.698 11.032 ( -2.644 -5.944 2.996) 7.163 11.032 ( -2.644 5.944 2.996) 7.163 11.382 ( -1.691 -2.691 -5.339) 6.213 11.382 ( -1.691 2.691 -5.339) 6.213 11.592 ( 5.373 -5.838 3.612) 8.717 11.592 ( 5.373 5.838 3.612) 8.717 22.388 ( -1.676 -2.443 -0.981) 3.121 22.388 ( -1.676 2.443 -0.981) 3.121 22.455 ( -0.924 -0.968 -0.478) 1.421 22.455 ( -0.924 0.968 -0.478) 1.421 22.910 ( -0.418 -0.696 0.516) 0.962 22.910 ( -0.418 0.696 0.516) 0.962 23.172 ( 0.181 -8.274 0.222) 8.278 23.172 ( 0.181 8.274 0.222) 8.278 ======================= Grid point 40 (23/130) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 3.689 -1.112 1.859) 4.278 1.159 ( 3.689 1.112 1.859) 4.278 1.464 ( 5.938 -4.400 2.158) 7.699 1.464 ( 5.938 4.400 2.158) 7.699 1.562 ( 3.952 -1.920 -2.471) 5.040 1.562 ( 3.952 1.920 -2.471) 5.040 1.879 ( -1.550 -6.308 -1.644) 6.700 1.879 ( -1.550 6.308 -1.644) 6.700 2.037 ( 7.236 -0.902 -3.718) 8.185 2.037 ( 7.236 0.902 -3.718) 8.185 2.142 ( -2.497 -4.275 4.061) 6.404 2.142 ( -2.497 4.275 4.061) 6.404 2.659 ( 7.047 -2.581 1.350) 7.625 2.659 ( 7.047 2.581 1.350) 7.625 3.068 ( -1.428 -4.378 -4.414) 6.378 3.068 ( -1.428 4.378 -4.414) 6.378 3.256 ( -4.967 -3.573 1.484) 6.297 3.256 ( -4.967 3.573 1.484) 6.297 3.752 ( -4.069 -3.162 2.541) 5.746 3.752 ( -4.069 3.162 2.541) 5.746 4.185 ( -2.192 -6.963 -1.711) 7.498 4.185 ( -2.192 6.963 -1.711) 7.498 4.514 ( 5.599 -4.358 1.492) 7.250 4.514 ( 5.599 4.358 1.492) 7.250 5.645 ( -1.697 -4.400 0.273) 4.724 5.645 ( -1.697 4.400 0.273) 4.724 6.127 ( -2.216 -4.514 -1.066) 5.140 6.127 ( -2.216 4.514 -1.066) 5.140 6.552 ( 0.862 -3.631 1.089) 3.887 6.552 ( 0.862 3.631 1.089) 3.887 8.890 ( 0.813 -1.669 -2.659) 3.242 8.890 ( 0.813 1.669 -2.659) 3.242 9.431 ( 5.491 -1.796 0.775) 5.829 9.431 ( 5.491 1.796 0.775) 5.829 10.978 ( -2.544 -4.766 3.094) 6.226 10.978 ( -2.544 4.766 3.094) 6.226 11.339 ( -1.960 -2.721 -2.841) 4.395 11.339 ( -1.960 2.721 -2.841) 4.395 11.719 ( 6.118 -6.124 1.376) 8.765 11.719 ( 6.118 6.124 1.376) 8.765 22.344 ( -2.186 -3.703 -2.714) 5.085 22.344 ( -2.186 3.703 -2.714) 5.085 22.416 ( -2.813 -2.568 0.860) 3.905 22.416 ( -2.813 2.568 0.860) 3.905 22.901 ( -0.404 -1.278 0.526) 1.440 22.901 ( -0.404 1.278 0.526) 1.440 23.189 ( 1.417 -9.413 0.336) 9.525 23.189 ( 1.417 9.413 0.336) 9.525 ======================= Grid point 42 (24/130) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.442 -2.940 -0.019) 2.973 1.173 ( -0.442 2.940 -0.019) 2.973 1.576 ( 4.078 -2.299 0.328) 4.692 1.576 ( 4.078 2.299 0.328) 4.692 1.663 ( 4.589 -3.820 0.588) 5.999 1.663 ( 4.589 3.820 0.588) 5.999 1.831 ( -2.175 -4.741 -1.381) 5.396 1.831 ( -2.175 4.741 -1.381) 5.396 2.048 ( -3.220 -3.298 0.187) 4.613 2.048 ( -3.220 3.298 0.187) 4.613 2.216 ( 5.776 -2.264 0.111) 6.205 2.216 ( 5.776 2.264 0.111) 6.205 2.773 ( 2.667 -3.210 0.435) 4.196 2.773 ( 2.667 3.210 0.435) 4.196 2.981 ( -4.412 -3.597 -0.544) 5.718 2.981 ( -4.412 3.597 -0.544) 5.718 3.256 ( 3.296 -1.829 -0.251) 3.778 3.256 ( 3.296 1.829 -0.251) 3.778 3.689 ( -2.139 -2.585 1.322) 3.606 3.689 ( -2.139 2.585 1.322) 3.606 4.142 ( -1.613 -6.526 -1.171) 6.823 4.142 ( -1.613 6.526 -1.171) 6.823 4.610 ( 3.241 -5.842 0.805) 6.729 4.610 ( 3.241 5.842 0.805) 6.729 5.615 ( -1.153 -4.539 0.163) 4.686 5.615 ( -1.153 4.539 0.163) 4.686 6.094 ( -0.883 -4.185 -0.693) 4.333 6.094 ( -0.883 4.185 -0.693) 4.333 6.547 ( -0.960 -2.853 0.779) 3.109 6.547 ( -0.960 2.853 0.779) 3.109 8.900 ( 0.399 -1.698 -1.528) 2.319 8.900 ( 0.399 1.698 -1.528) 2.319 9.538 ( 4.155 -1.990 0.290) 4.616 9.538 ( 4.155 1.990 0.290) 4.616 10.938 ( -1.456 -3.242 1.866) 4.015 10.938 ( -1.456 3.242 1.866) 4.015 11.302 ( -1.321 -3.355 -1.015) 3.746 11.302 ( -1.321 3.355 -1.015) 3.746 11.828 ( 3.940 -4.822 0.217) 6.231 11.828 ( 3.940 4.822 0.217) 6.231 22.301 ( -1.496 -4.324 -3.429) 5.717 22.301 ( -1.496 4.324 -3.429) 5.717 22.356 ( -2.654 -3.914 2.261) 5.242 22.356 ( -2.654 3.914 2.261) 5.242 22.896 ( -0.119 -1.525 0.240) 1.548 22.896 ( -0.119 1.525 0.240) 1.548 23.223 ( 1.461 -9.834 0.243) 9.945 23.223 ( 1.461 9.834 0.243) 9.945 ======================= Grid point 44 (25/130) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.000 -3.200 0.000) 3.200 1.168 ( 0.000 3.200 -0.000) 3.200 1.625 ( 0.000 -0.249 -0.000) 0.249 1.625 ( -0.000 0.249 0.000) 0.249 1.708 ( 0.000 -4.676 0.000) 4.676 1.708 ( 0.000 4.676 -0.000) 4.676 1.811 ( 0.000 -3.973 0.000) 3.973 1.811 ( 0.000 3.973 -0.000) 3.973 2.006 ( 0.000 -3.615 0.000) 3.615 2.006 ( 0.000 3.615 -0.000) 3.615 2.280 ( 0.000 -1.515 0.000) 1.515 2.280 ( 0.000 1.515 -0.000) 1.515 2.786 ( 0.000 -2.264 -0.000) 2.264 2.786 ( 0.000 2.264 0.000) 2.264 2.936 ( 0.000 -1.909 0.000) 1.909 2.936 ( 0.000 1.909 -0.000) 1.909 3.307 ( -0.000 -1.063 -0.000) 1.063 3.307 ( 0.000 1.063 -0.000) 1.063 3.666 ( 0.000 -1.842 -0.000) 1.842 3.666 ( 0.000 1.842 0.000) 1.842 4.124 ( 0.000 -6.132 -0.000) 6.132 4.124 ( 0.000 6.132 0.000) 6.132 4.644 ( 0.000 -6.474 -0.000) 6.474 4.644 ( 0.000 6.474 0.000) 6.474 5.602 ( 0.000 -4.518 0.000) 4.518 5.602 ( 0.000 4.518 -0.000) 4.518 6.086 ( 0.000 -3.976 0.000) 3.976 6.086 ( 0.000 3.976 -0.000) 3.976 6.534 ( 0.000 -1.934 0.000) 1.934 6.534 ( 0.000 1.934 -0.000) 1.934 8.904 ( 0.000 -1.755 -0.000) 1.755 8.904 ( 0.000 1.755 0.000) 1.755 9.584 ( 0.000 -1.989 -0.000) 1.989 9.584 ( 0.000 1.989 0.000) 1.989 10.923 ( 0.000 -2.324 0.000) 2.324 10.923 ( 0.000 2.324 -0.000) 2.324 11.288 ( 0.000 -3.554 0.000) 3.554 11.288 ( 0.000 3.554 -0.000) 3.554 11.870 ( 0.000 -3.936 -0.000) 3.936 11.870 ( 0.000 3.936 0.000) 3.936 22.283 ( 0.000 -4.199 0.000) 4.199 22.283 ( 0.000 4.199 -0.000) 4.199 22.327 ( -0.000 -3.109 0.000) 3.109 22.327 ( 0.000 3.109 -0.000) 3.109 22.895 ( 0.000 -1.532 0.000) 1.532 22.895 ( 0.000 1.532 -0.000) 1.532 23.239 ( 0.000 -9.871 -0.000) 9.871 23.239 ( 0.000 9.871 0.000) 9.871 ======================= Grid point 81 (26/130) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -3.180 0.000 16.944) 17.240 0.411 ( -0.629 0.000 19.888) 19.898 0.749 ( 2.806 0.000 35.360) 35.471 1.111 ( 2.554 0.000 4.463) 5.142 1.207 ( 2.578 0.000 0.705) 2.673 1.468 ( 1.532 0.000 1.233) 1.967 1.652 ( 2.310 0.000 -4.666) 5.206 1.685 ( -2.237 0.000 -2.738) 3.536 1.816 ( -2.980 0.000 -3.010) 4.236 1.997 ( -4.436 0.000 -7.195) 8.453 2.181 ( 3.425 0.000 -0.683) 3.492 2.275 ( 1.164 0.000 -1.403) 1.823 2.518 ( -6.525 0.000 4.042) 7.675 2.527 ( 0.582 0.000 5.787) 5.816 2.726 ( 1.923 0.000 0.966) 2.152 2.731 ( -0.240 0.000 0.697) 0.737 3.123 ( 0.166 0.000 -3.332) 3.336 3.171 ( 0.651 0.000 1.190) 1.356 3.318 ( 2.426 0.000 4.415) 5.038 3.387 ( -0.230 0.000 -14.800) 14.802 4.068 ( -2.977 0.000 7.294) 7.878 4.114 ( -2.611 0.000 -3.753) 4.572 4.362 ( 6.487 0.000 2.963) 7.131 4.475 ( -9.069 0.000 0.221) 9.072 5.625 ( 0.193 0.000 0.340) 0.391 5.698 ( 0.141 0.000 0.525) 0.543 6.170 ( -0.328 0.000 -0.546) 0.637 6.345 ( 8.693 0.000 -0.160) 8.695 6.356 ( 2.639 0.000 -0.047) 2.639 7.121 ( 11.915 0.000 -1.569) 12.018 8.499 ( -0.081 0.000 0.613) 0.618 8.673 ( 0.147 0.000 -0.693) 0.709 9.300 ( -2.389 0.000 -3.087) 3.903 9.435 ( 2.427 0.000 2.859) 3.750 10.713 ( 0.585 0.000 1.109) 1.254 10.916 ( -0.526 0.000 -0.927) 1.065 11.357 ( -16.433 0.000 0.180) 16.434 11.384 ( 1.888 0.000 -1.535) 2.433 11.534 ( -0.089 0.000 -1.465) 1.468 12.064 ( 11.016 0.000 1.609) 11.133 21.865 ( -0.003 0.000 -0.112) 0.112 22.345 ( 0.016 0.000 0.140) 0.141 22.556 ( -0.632 0.000 1.259) 1.409 22.664 ( 1.305 0.000 -0.701) 1.481 22.738 ( -1.533 0.000 1.285) 2.000 22.908 ( 1.793 0.000 -0.010) 1.793 23.142 ( -1.857 0.000 -1.019) 2.119 23.699 ( -0.629 0.000 0.290) 0.692 ======================= Grid point 82 (27/130) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 0.744 0.000 12.557) 12.579 0.570 ( 13.875 0.000 11.334) 17.916 1.116 ( 22.131 0.000 24.651) 33.128 1.204 ( -3.152 0.000 3.692) 4.854 1.262 ( 8.823 0.000 2.928) 9.297 1.554 ( 6.608 0.000 5.031) 8.305 1.656 ( -2.540 0.000 -2.042) 3.259 1.768 ( -0.124 0.000 -6.525) 6.526 1.776 ( 4.595 0.000 -7.244) 8.578 1.966 ( -0.878 0.000 -6.660) 6.717 2.223 ( -0.418 0.000 -2.543) 2.577 2.346 ( 3.617 0.000 0.479) 3.649 2.460 ( 4.958 0.000 -1.771) 5.265 2.549 ( 0.942 0.000 5.942) 6.016 2.726 ( -0.198 0.000 0.435) 0.478 2.837 ( 7.571 0.000 1.270) 7.677 3.095 ( -2.415 0.000 -1.169) 2.683 3.177 ( -0.254 0.000 -1.466) 1.488 3.281 ( -3.699 0.000 -7.238) 8.128 3.400 ( 4.866 0.000 6.797) 8.359 4.000 ( -2.633 0.000 5.112) 5.750 4.038 ( -4.178 0.000 -5.406) 6.832 4.245 ( -8.681 0.000 6.004) 10.555 4.539 ( 7.838 0.000 1.887) 8.062 5.637 ( 0.875 0.000 0.384) 0.956 5.701 ( -0.060 0.000 0.543) 0.546 6.156 ( -0.848 0.000 -0.610) 1.044 6.340 ( -1.126 0.000 -0.134) 1.134 6.550 ( 3.979 0.000 -3.443) 5.262 7.214 ( -4.890 0.000 -8.050) 9.418 8.498 ( -0.037 0.000 0.556) 0.557 8.680 ( 0.554 0.000 -0.643) 0.849 9.296 ( 1.593 0.000 -2.274) 2.777 9.552 ( 7.117 0.000 2.817) 7.654 10.735 ( 1.415 0.000 1.519) 2.076 10.896 ( -1.271 0.000 -1.330) 1.840 10.957 ( -11.921 0.000 8.323) 14.539 11.440 ( -0.693 0.000 -1.738) 1.871 11.515 ( 4.564 0.000 -1.517) 4.809 12.246 ( 1.329 0.000 -2.109) 2.492 21.867 ( 0.179 0.000 -0.114) 0.212 22.347 ( 0.156 0.000 0.145) 0.213 22.465 ( -6.231 0.000 2.353) 6.660 22.699 ( 2.121 0.000 0.915) 2.309 22.704 ( -0.025 0.000 3.929) 3.929 22.939 ( 0.632 0.000 0.516) 0.816 23.074 ( -3.668 0.000 -2.118) 4.235 23.753 ( 3.319 0.000 -2.311) 4.044 ======================= Grid point 83 (28/130) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 1.811 0.000 6.240) 6.498 0.918 ( 17.365 0.000 3.806) 17.777 1.091 ( -7.834 0.000 5.449) 9.543 1.297 ( 0.985 0.000 -0.831) 1.289 1.563 ( -5.356 0.000 0.530) 5.382 1.582 ( 6.967 0.000 10.698) 12.766 1.681 ( 8.834 0.000 1.631) 8.983 1.786 ( 1.672 0.000 -8.781) 8.938 1.899 ( 7.491 0.000 3.141) 8.123 1.927 ( -0.013 0.000 -3.212) 3.212 2.228 ( 2.119 0.000 -0.686) 2.227 2.339 ( -1.667 0.000 2.826) 3.281 2.572 ( 0.717 0.000 5.618) 5.663 2.675 ( 11.153 0.000 -7.241) 13.297 2.729 ( 0.637 0.000 0.112) 0.646 2.950 ( 1.551 0.000 -4.835) 5.078 3.031 ( -3.392 0.000 -0.186) 3.397 3.163 ( -0.849 0.000 -2.039) 2.209 3.332 ( 9.428 0.000 3.626) 10.101 3.509 ( 4.357 0.000 5.156) 6.751 3.947 ( -3.594 0.000 -4.161) 5.498 3.971 ( -0.445 0.000 2.643) 2.680 4.129 ( -3.433 0.000 3.367) 4.809 4.691 ( 6.702 0.000 1.746) 6.926 5.658 ( 1.013 0.000 0.231) 1.039 5.694 ( -0.669 0.000 0.513) 0.843 6.137 ( -0.878 0.000 -0.352) 0.946 6.312 ( -1.334 0.000 0.109) 1.339 6.554 ( -2.152 0.000 -0.589) 2.231 7.015 ( -11.590 0.000 -4.911) 12.588 8.499 ( 0.068 0.000 0.532) 0.536 8.692 ( 0.602 0.000 -0.698) 0.922 9.339 ( 2.433 0.000 -1.744) 2.993 9.671 ( 3.477 0.000 7.288) 8.075 10.771 ( 1.825 0.000 1.722) 2.509 10.864 ( -1.706 0.000 -1.591) 2.332 10.874 ( 1.802 0.000 -1.736) 2.502 11.362 ( -4.706 0.000 -3.847) 6.079 11.700 ( 10.825 0.000 0.860) 10.859 12.199 ( -4.403 0.000 -0.188) 4.407 21.871 ( 0.259 0.000 -0.110) 0.281 22.351 ( 0.202 0.000 0.132) 0.242 22.370 ( -2.997 0.000 0.619) 3.060 22.633 ( -4.436 0.000 0.002) 4.436 22.809 ( 4.824 0.000 4.644) 6.696 22.940 ( -0.403 0.000 0.853) 0.944 23.018 ( -1.131 0.000 -0.382) 1.194 23.793 ( 0.858 0.000 -2.671) 2.806 ======================= Grid point 84 (29/130) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 2.903 0.000 2.980) 4.160 0.913 ( -9.009 0.000 5.909) 10.774 1.229 ( 10.771 0.000 0.636) 10.789 1.286 ( -0.898 0.000 -1.460) 1.714 1.460 ( -4.361 0.000 0.881) 4.449 1.608 ( -0.689 0.000 2.882) 2.964 1.804 ( 3.529 0.000 -7.106) 7.934 1.809 ( 1.317 0.000 -8.395) 8.498 1.862 ( -3.339 0.000 0.916) 3.462 2.105 ( 5.182 0.000 0.932) 5.265 2.317 ( 0.637 0.000 3.468) 3.526 2.323 ( 4.859 0.000 7.636) 9.051 2.585 ( 0.033 0.000 4.848) 4.848 2.753 ( 1.531 0.000 -0.071) 1.532 2.850 ( 6.098 0.000 -4.916) 7.833 2.948 ( 0.886 0.000 -3.193) 3.314 2.964 ( -2.934 0.000 0.135) 2.937 3.147 ( -0.337 0.000 -1.479) 1.517 3.549 ( -1.293 0.000 -2.577) 2.883 3.555 ( 8.084 0.000 6.094) 10.123 3.917 ( 1.320 0.000 2.618) 2.932 3.980 ( 0.851 0.000 1.859) 2.045 4.099 ( 0.275 0.000 1.181) 1.213 4.808 ( 4.119 0.000 2.251) 4.694 5.675 ( 0.518 0.000 -0.083) 0.524 5.676 ( -1.020 0.000 0.283) 1.059 6.123 ( -0.348 0.000 0.130) 0.372 6.291 ( -0.690 0.000 0.316) 0.759 6.497 ( -2.465 0.000 -1.019) 2.667 6.779 ( -9.902 0.000 -4.813) 11.010 8.501 ( 0.091 0.000 0.559) 0.567 8.701 ( 0.342 0.000 -0.826) 0.894 9.383 ( 1.728 0.000 -1.870) 2.546 9.710 ( -0.092 0.000 8.950) 8.950 10.809 ( 1.353 0.000 1.799) 2.251 10.827 ( -1.326 0.000 -1.754) 2.199 10.973 ( 6.938 0.000 -5.263) 8.709 11.257 ( -4.962 0.000 -4.284) 6.555 11.922 ( 9.424 0.000 4.016) 10.244 12.090 ( -5.364 0.000 -1.973) 5.715 21.876 ( 0.190 0.000 -0.103) 0.216 22.341 ( 0.122 0.000 -0.824) 0.833 22.355 ( 0.127 0.000 0.110) 0.168 22.531 ( -4.922 0.000 0.051) 4.922 22.886 ( 2.104 0.000 2.994) 3.660 22.943 ( 0.817 0.000 0.397) 0.909 23.017 ( 0.303 0.000 3.537) 3.550 23.792 ( -0.446 0.000 -3.031) 3.063 ======================= Grid point 85 (30/130) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 2.912 0.000 2.961) 4.153 0.782 ( -2.688 0.000 5.565) 6.180 1.256 ( -0.583 0.000 -0.795) 0.985 1.363 ( 1.418 0.000 -0.458) 1.490 1.394 ( -1.792 0.000 -0.195) 1.803 1.515 ( -8.919 0.000 -3.026) 9.418 1.830 ( 1.489 0.000 -7.417) 7.565 1.836 ( 0.811 0.000 1.886) 2.053 1.892 ( 6.248 0.000 -6.885) 9.297 2.130 ( -1.360 0.000 0.597) 1.486 2.337 ( 0.257 0.000 3.887) 3.895 2.380 ( -0.642 0.000 7.280) 7.308 2.580 ( -0.892 0.000 4.187) 4.281 2.781 ( 0.703 0.000 0.119) 0.713 2.908 ( 0.239 0.000 -5.485) 5.490 2.921 ( -0.816 0.000 -0.101) 0.823 3.019 ( 4.839 0.000 2.626) 5.506 3.153 ( 1.035 0.000 -0.558) 1.175 3.468 ( -5.227 0.000 -7.007) 8.742 3.602 ( -3.897 0.000 4.692) 6.100 3.987 ( 4.190 0.000 6.073) 7.378 3.994 ( -0.009 0.000 2.014) 2.014 4.123 ( 1.103 0.000 1.111) 1.565 4.851 ( -0.361 0.000 2.673) 2.697 5.659 ( -0.482 0.000 -0.037) 0.483 5.678 ( -0.259 0.000 -0.355) 0.439 6.124 ( 0.396 0.000 0.541) 0.670 6.279 ( -0.568 0.000 0.012) 0.568 6.486 ( 1.754 0.000 -0.924) 1.983 6.630 ( -3.324 0.000 -6.359) 7.176 8.502 ( 0.002 0.000 0.593) 0.593 8.704 ( -0.053 0.000 -0.931) 0.932 9.402 ( 0.202 0.000 -1.962) 1.973 9.688 ( -2.682 0.000 8.113) 8.545 10.786 ( -1.680 0.000 -1.032) 1.972 10.849 ( 1.621 0.000 1.015) 1.912 11.096 ( 1.803 0.000 -4.878) 5.201 11.176 ( 0.708 0.000 -4.435) 4.491 11.929 ( -6.740 0.000 1.986) 7.026 12.134 ( 7.267 0.000 0.844) 7.316 21.878 ( 0.011 0.000 -0.098) 0.098 22.356 ( -0.026 0.000 0.091) 0.094 22.371 ( 2.602 0.000 -1.549) 3.028 22.451 ( -2.290 0.000 0.604) 2.369 22.912 ( 0.425 0.000 2.088) 2.131 22.966 ( 1.355 0.000 0.308) 1.389 23.015 ( -1.344 0.000 5.348) 5.514 23.778 ( -0.550 0.000 -3.442) 3.486 ======================= Grid point 86 (31/130) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 1.488 0.000 6.963) 7.120 0.812 ( 4.154 0.000 1.958) 4.593 1.193 ( -14.847 0.000 -1.037) 14.883 1.267 ( 0.725 0.000 -1.365) 1.545 1.401 ( 2.738 0.000 -1.480) 3.113 1.403 ( -2.383 0.000 -4.054) 4.703 1.857 ( 1.586 0.000 -6.364) 6.559 1.863 ( 0.743 0.000 0.832) 1.115 2.024 ( 6.344 0.000 -4.051) 7.527 2.064 ( -5.581 0.000 5.205) 7.632 2.249 ( -7.917 0.000 5.017) 9.372 2.377 ( -1.123 0.000 6.164) 6.266 2.558 ( -1.523 0.000 4.107) 4.380 2.773 ( -1.242 0.000 0.685) 1.418 2.874 ( -2.383 0.000 -10.432) 10.701 2.940 ( 2.489 0.000 -0.729) 2.593 3.087 ( 0.437 0.000 1.926) 1.975 3.185 ( 1.895 0.000 0.033) 1.895 3.349 ( -5.168 0.000 -6.222) 8.088 3.432 ( -11.931 0.000 4.673) 12.814 3.995 ( 0.348 0.000 3.834) 3.850 4.075 ( 3.507 0.000 4.785) 5.933 4.135 ( 0.681 0.000 1.567) 1.709 4.797 ( -4.931 0.000 2.461) 5.511 5.658 ( 0.419 0.000 -0.194) 0.462 5.665 ( -0.833 0.000 -0.370) 0.912 6.139 ( 0.856 0.000 0.583) 1.036 6.281 ( 0.977 0.000 0.095) 0.982 6.508 ( -0.159 0.000 -2.468) 2.474 6.671 ( 7.056 0.000 -6.542) 9.622 8.502 ( -0.087 0.000 0.605) 0.612 8.698 ( -0.411 0.000 -0.945) 1.031 9.392 ( -0.832 0.000 -1.438) 1.662 9.617 ( -4.691 0.000 6.119) 7.710 10.753 ( -1.484 0.000 -0.692) 1.638 10.881 ( 1.366 0.000 0.670) 1.522 11.034 ( -3.568 0.000 -2.342) 4.268 11.276 ( 5.482 0.000 -4.988) 7.412 11.786 ( -6.755 0.000 0.765) 6.798 12.253 ( 3.729 0.000 2.207) 4.333 21.876 ( -0.171 0.000 -0.096) 0.196 22.354 ( -0.167 0.000 0.086) 0.188 22.405 ( 0.828 0.000 0.448) 0.941 22.474 ( 3.989 0.000 -0.769) 4.062 22.908 ( -1.190 0.000 2.757) 3.002 22.964 ( -3.302 0.000 4.514) 5.593 23.006 ( 2.278 0.000 0.190) 2.286 23.766 ( -0.297 0.000 -3.552) 3.564 ======================= Grid point 87 (32/130) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -3.829 0.000 12.560) 13.131 0.852 ( -16.816 0.000 2.793) 17.046 0.941 ( 8.035 0.000 -2.516) 8.420 1.279 ( -8.290 0.000 0.703) 8.320 1.303 ( -0.820 0.000 -2.593) 2.720 1.490 ( 5.283 0.000 -1.900) 5.614 1.731 ( -15.454 0.000 6.054) 16.597 1.877 ( 0.597 0.000 -5.167) 5.201 1.971 ( -2.304 0.000 3.811) 4.454 2.109 ( -3.308 0.000 5.128) 6.102 2.149 ( 4.879 0.000 -3.225) 5.848 2.325 ( -4.189 0.000 1.779) 4.551 2.531 ( -1.268 0.000 4.560) 4.733 2.748 ( -1.003 0.000 0.917) 1.359 2.784 ( -5.935 0.000 -14.018) 15.223 3.007 ( 3.761 0.000 -1.102) 3.919 3.015 ( -7.614 0.000 -2.670) 8.069 3.210 ( -0.576 0.000 -1.735) 1.828 3.213 ( -6.191 0.000 7.987) 10.106 3.269 ( -1.157 0.000 -1.414) 1.827 4.008 ( 0.400 0.000 4.275) 4.294 4.133 ( 1.740 0.000 2.053) 2.691 4.198 ( 5.350 0.000 4.200) 6.802 4.665 ( -7.486 0.000 1.257) 7.591 5.646 ( -0.951 0.000 -0.148) 0.962 5.672 ( 0.827 0.000 -0.008) 0.827 6.157 ( 0.816 0.000 0.255) 0.855 6.312 ( 1.710 0.000 0.275) 1.732 6.493 ( -1.418 0.000 -5.088) 5.282 6.826 ( 7.247 0.000 -5.985) 9.399 8.501 ( -0.089 0.000 0.616) 0.622 8.687 ( -0.561 0.000 -0.881) 1.045 9.375 ( -0.537 0.000 -0.351) 0.641 9.515 ( -5.218 0.000 3.967) 6.554 10.725 ( -1.087 0.000 -0.113) 1.093 10.906 ( 0.954 0.000 0.145) 0.965 10.999 ( 1.246 0.000 1.800) 2.189 11.359 ( 2.797 0.000 -4.981) 5.713 11.660 ( -5.338 0.000 0.856) 5.406 12.283 ( -1.230 0.000 0.555) 1.350 21.872 ( -0.250 0.000 -0.099) 0.269 22.350 ( -0.212 0.000 0.098) 0.233 22.444 ( 3.106 0.000 2.236) 3.827 22.552 ( 2.760 0.000 -0.925) 2.911 22.847 ( -4.522 0.000 4.985) 6.730 22.920 ( -1.028 0.000 0.431) 1.115 23.067 ( 3.405 0.000 0.598) 3.457 23.757 ( -0.320 0.000 -3.440) 3.455 ======================= Grid point 88 (33/130) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -6.053 0.000 15.595) 16.728 0.543 ( -12.603 0.000 12.634) 17.845 0.964 ( -19.071 0.000 17.699) 26.019 1.104 ( 7.088 0.000 -1.983) 7.360 1.227 ( -9.982 0.000 2.423) 10.272 1.475 ( -4.425 0.000 0.657) 4.473 1.588 ( 4.118 0.000 -3.037) 5.117 1.866 ( -1.372 0.000 -3.754) 3.997 1.866 ( -7.916 0.000 0.308) 7.922 2.117 ( 2.274 0.000 3.103) 3.847 2.187 ( -8.573 0.000 -10.433) 13.504 2.239 ( 2.574 0.000 -1.873) 3.183 2.518 ( -0.291 0.000 5.243) 5.251 2.644 ( -5.370 0.000 -7.120) 8.919 2.735 ( -0.334 0.000 0.875) 0.936 2.808 ( -9.670 0.000 -2.921) 10.101 3.083 ( 3.420 0.000 -1.949) 3.936 3.176 ( -1.262 0.000 -0.833) 1.512 3.248 ( 7.866 0.000 4.825) 9.227 3.282 ( 1.187 0.000 1.901) 2.241 4.036 ( 2.204 0.000 8.760) 9.033 4.148 ( -0.407 0.000 -1.011) 1.090 4.312 ( 3.158 0.000 0.720) 3.239 4.533 ( -3.360 0.000 1.126) 3.544 5.629 ( -0.562 0.000 0.139) 0.579 5.689 ( 0.728 0.000 0.381) 0.822 6.170 ( 0.343 0.000 -0.206) 0.401 6.342 ( 1.077 0.000 0.052) 1.078 6.397 ( -8.110 0.000 -7.117) 10.790 6.947 ( 5.502 0.000 -1.279) 5.649 8.500 ( -0.065 0.000 0.632) 0.636 8.676 ( -0.352 0.000 -0.788) 0.863 9.360 ( -1.712 0.000 -1.637) 2.369 9.432 ( -2.249 0.000 3.550) 4.203 10.710 ( -0.364 0.000 0.530) 0.643 10.919 ( 0.297 0.000 -0.414) 0.509 11.150 ( 14.620 0.000 9.041) 17.190 11.381 ( 0.026 0.000 -3.693) 3.693 11.571 ( -3.381 0.000 -0.633) 3.440 12.183 ( -9.015 0.000 -3.314) 9.604 21.867 ( -0.180 0.000 -0.106) 0.209 22.346 ( -0.135 0.000 0.121) 0.181 22.542 ( 6.282 0.000 3.410) 7.148 22.569 ( -0.774 0.000 0.552) 0.951 22.773 ( -2.511 0.000 3.000) 3.912 22.905 ( -0.569 0.000 0.002) 0.569 23.133 ( 2.381 0.000 0.188) 2.389 23.742 ( -1.213 0.000 -3.314) 3.529 ======================= Grid point 89 (34/130) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 1.743 3.312 17.364) 17.763 0.573 ( 0.532 13.722 12.799) 18.772 1.031 ( 1.387 18.066 20.779) 27.569 1.102 ( -0.133 4.414 6.302) 7.695 1.276 ( 3.535 5.522 -0.021) 6.556 1.461 ( 0.532 0.119 2.673) 2.728 1.645 ( -2.302 -0.825 -2.502) 3.499 1.684 ( 1.371 -0.479 -1.754) 2.277 1.889 ( -4.148 1.730 -4.290) 6.213 2.012 ( -1.354 2.918 -6.649) 7.386 2.180 ( 2.295 -0.243 -1.189) 2.596 2.278 ( 2.687 0.950 -0.475) 2.889 2.470 ( -3.004 -1.032 3.858) 4.997 2.670 ( 1.127 2.592 -0.795) 2.936 2.715 ( 0.013 2.944 -0.830) 3.059 2.830 ( -1.428 9.920 0.329) 10.028 3.104 ( -2.311 0.798 1.202) 2.724 3.224 ( 2.219 8.562 -1.481) 8.968 3.313 ( 2.967 0.059 3.612) 4.675 3.549 ( -1.320 8.433 -10.508) 13.538 4.048 ( -1.970 0.378 4.124) 4.586 4.176 ( -1.506 3.643 -1.240) 4.132 4.350 ( 4.943 -0.990 2.441) 5.601 4.413 ( -4.917 -2.825 3.190) 6.507 5.681 ( -0.821 -0.236 -0.573) 1.029 5.868 ( -3.044 12.306 -11.273) 16.964 6.102 ( -0.183 -5.492 -0.427) 5.511 6.357 ( 0.794 0.713 -0.158) 1.078 6.394 ( 9.211 2.990 0.102) 9.685 6.861 ( 4.719 -16.912 8.529) 19.520 8.562 ( -0.431 5.320 0.825) 5.401 8.738 ( -1.458 4.375 0.703) 4.665 9.294 ( -2.020 -0.582 -2.844) 3.536 9.413 ( 1.340 -1.610 2.484) 3.250 10.759 ( 1.443 1.486 -2.899) 3.563 10.946 ( -0.482 5.139 -3.106) 6.024 11.355 ( -4.689 -1.354 -1.891) 5.234 11.367 ( -6.279 -0.506 -0.118) 6.301 11.528 ( 0.205 -0.569 -1.180) 1.326 11.915 ( 10.365 -7.712 11.426) 17.247 22.084 ( -2.284 11.035 -13.376) 17.490 22.387 ( 2.027 3.052 -0.818) 3.754 22.555 ( 0.984 -0.329 1.683) 1.977 22.675 ( -0.909 0.783 -1.442) 1.876 22.733 ( -0.926 0.354 1.838) 2.088 22.907 ( 1.547 -0.048 -0.217) 1.563 23.089 ( -2.287 -4.763 0.091) 5.284 23.535 ( 0.455 -8.321 10.690) 13.554 ======================= Grid point 90 (35/130) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 10.961 12.960 2.354) 17.136 0.803 ( 9.511 16.069 9.067) 20.758 1.144 ( 9.654 6.909 18.472) 21.958 1.220 ( 4.225 -1.382 2.588) 5.143 1.326 ( 4.553 7.139 6.705) 10.800 1.533 ( 6.167 -1.124 5.152) 8.114 1.625 ( -0.686 -3.094 -2.466) 4.015 1.739 ( 3.572 -0.821 -1.970) 4.161 1.871 ( 1.625 5.973 -5.680) 8.402 1.974 ( -1.745 0.756 -5.135) 5.476 2.199 ( -0.065 -2.041 -1.944) 2.820 2.342 ( 1.285 -0.324 1.156) 1.758 2.467 ( 4.980 1.098 -0.558) 5.130 2.684 ( 0.959 9.658 -1.249) 9.786 2.747 ( 1.205 0.677 1.087) 1.759 2.860 ( 5.106 3.902 1.230) 6.543 3.064 ( -1.049 -0.090 -0.390) 1.123 3.255 ( 0.824 8.625 -0.886) 8.710 3.402 ( 5.049 0.612 5.324) 7.363 3.413 ( -8.216 8.155 -5.540) 12.833 4.005 ( -2.050 1.697 1.613) 3.112 4.101 ( -5.225 3.508 -1.835) 6.555 4.249 ( -6.148 1.340 4.016) 7.465 4.524 ( 7.740 -1.225 1.720) 8.022 5.639 ( -1.958 -0.083 -0.213) 1.972 5.800 ( -1.193 7.739 -1.813) 8.037 6.096 ( -0.882 -5.443 -0.822) 5.575 6.349 ( -0.895 0.869 -0.131) 1.255 6.548 ( 2.292 -0.397 -1.838) 2.965 6.986 ( 2.751 -17.000 -0.967) 17.248 8.556 ( -0.117 5.216 0.653) 5.258 8.719 ( -0.104 3.345 0.510) 3.385 9.289 ( 1.634 -0.498 -1.885) 2.544 9.484 ( 5.099 -4.142 2.782) 7.134 10.790 ( 1.584 0.076 -2.500) 2.961 10.913 ( -2.247 7.894 -2.274) 8.517 11.069 ( -10.049 6.338 4.782) 12.807 11.410 ( 0.282 -2.960 -1.144) 3.186 11.515 ( 3.412 -0.037 -1.635) 3.784 12.150 ( 5.485 -7.316 3.316) 9.727 21.993 ( -3.924 8.215 -6.421) 11.140 22.407 ( 0.024 3.183 -1.602) 3.563 22.497 ( -6.319 4.688 2.049) 8.130 22.674 ( 3.951 -2.554 4.557) 6.550 22.698 ( -2.651 -0.053 1.282) 2.945 22.938 ( 0.569 -0.138 0.507) 0.774 23.034 ( -2.458 -3.599 -1.803) 4.716 23.639 ( 5.564 -8.127 2.466) 10.153 ======================= Grid point 91 (36/130) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 3.352 23.506 -0.622) 23.752 0.990 ( 11.756 7.544 4.677) 14.730 1.164 ( -5.334 5.133 3.891) 8.363 1.273 ( 1.073 -1.113 -0.767) 1.726 1.514 ( 3.799 -2.992 7.897) 9.260 1.593 ( -1.240 -0.720 0.944) 1.717 1.693 ( 7.529 1.017 0.795) 7.639 1.824 ( 4.803 3.979 0.817) 6.291 1.927 ( -1.088 1.478 -0.323) 1.863 1.956 ( 6.055 2.803 -3.570) 7.567 2.213 ( 2.360 -1.444 0.308) 2.784 2.325 ( -1.727 -1.131 2.595) 3.316 2.617 ( 6.298 0.628 1.092) 6.423 2.729 ( 3.733 9.056 -3.173) 10.297 2.769 ( 1.779 2.440 -0.596) 3.078 2.953 ( 1.360 1.086 -3.186) 3.630 3.076 ( -0.273 2.295 0.934) 2.493 3.255 ( -1.083 8.883 -0.505) 8.963 3.313 ( 3.094 -0.380 2.868) 4.236 3.512 ( 4.564 0.368 3.681) 5.875 3.966 ( -1.959 2.563 -2.173) 3.890 3.998 ( -3.299 1.145 2.555) 4.327 4.170 ( -2.183 4.381 0.685) 4.942 4.677 ( 6.765 -1.245 1.464) 7.033 5.613 ( -0.901 -1.823 0.350) 2.064 5.792 ( 0.068 6.296 -0.230) 6.300 6.068 ( -1.521 -5.937 -0.475) 6.147 6.327 ( -1.085 0.858 0.101) 1.387 6.536 ( -2.209 -1.725 0.282) 2.817 6.924 ( -7.083 -7.717 -4.113) 11.254 8.558 ( 0.195 5.426 0.633) 5.466 8.729 ( 0.755 3.316 -0.208) 3.407 9.337 ( 2.734 -0.055 -1.431) 3.086 9.595 ( 4.436 -5.540 4.598) 8.457 10.809 ( 0.410 -1.262 -1.458) 1.972 10.883 ( -0.433 8.710 1.937) 8.933 10.971 ( -0.434 5.765 -2.308) 6.225 11.347 ( -4.367 -1.566 -3.364) 5.730 11.682 ( 10.374 -1.655 0.655) 10.526 12.166 ( -2.613 -3.193 1.210) 4.300 21.936 ( -1.435 5.338 -2.009) 5.881 22.372 ( -2.885 0.168 0.630) 2.958 22.426 ( -0.780 6.521 -0.255) 6.573 22.621 ( -4.819 -0.887 1.017) 5.004 22.776 ( 4.641 -3.096 4.491) 7.162 22.935 ( -0.464 -0.472 0.726) 0.982 23.002 ( -0.384 -1.368 -0.524) 1.514 23.716 ( 2.016 -6.692 -1.568) 7.162 ======================= Grid point 92 (37/130) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.057 23.733 0.603) 23.741 1.029 ( -5.770 9.053 3.986) 11.451 1.224 ( 3.052 -1.956 0.275) 3.635 1.281 ( 4.197 1.999 -1.570) 4.907 1.513 ( -1.942 3.368 1.197) 4.068 1.591 ( 0.511 -0.821 3.244) 3.385 1.778 ( 2.634 0.830 -7.826) 8.299 1.848 ( -2.257 0.570 -0.167) 2.334 1.915 ( 0.842 4.184 -2.674) 5.036 2.089 ( 3.163 -1.607 -0.845) 3.647 2.300 ( 1.075 -1.818 6.595) 6.925 2.310 ( 3.556 -0.389 5.078) 6.211 2.705 ( 2.718 8.433 4.244) 9.824 2.784 ( 1.914 4.341 -0.045) 4.744 2.852 ( 5.249 0.201 -5.367) 7.510 2.956 ( -0.260 2.097 -0.828) 2.270 2.995 ( -4.111 2.451 -0.628) 4.827 3.234 ( -0.929 7.378 0.316) 7.443 3.484 ( 7.481 -4.588 5.149) 10.175 3.560 ( -0.238 -0.403 -1.786) 1.846 3.945 ( 1.087 3.025 1.822) 3.695 3.980 ( 0.360 -0.374 3.091) 3.135 4.151 ( 0.273 5.068 -1.059) 5.185 4.794 ( 4.022 -1.348 1.628) 4.544 5.595 ( -0.880 -2.912 0.301) 3.057 5.794 ( 0.069 6.309 -0.078) 6.310 6.039 ( -1.114 -6.804 0.017) 6.894 6.310 ( -0.535 0.539 0.279) 0.809 6.489 ( -1.691 -0.704 -0.528) 1.907 6.749 ( -8.293 -2.697 -4.468) 9.799 8.564 ( 0.266 5.762 0.749) 5.816 8.744 ( 0.692 3.857 -0.413) 3.940 9.386 ( 1.903 0.431 -1.767) 2.632 9.658 ( 1.159 -4.233 5.893) 7.348 10.821 ( 0.768 -0.003 -1.105) 1.345 10.862 ( -1.402 4.327 1.988) 4.964 11.032 ( 5.516 5.389 -4.316) 8.838 11.248 ( -4.668 -0.888 -4.004) 6.214 11.894 ( 8.806 -2.629 3.601) 9.870 12.084 ( -4.397 -0.833 -1.423) 4.696 21.920 ( -0.183 4.000 -0.405) 4.025 22.336 ( -0.327 -0.200 -0.109) 0.398 22.420 ( 0.038 5.605 -0.341) 5.615 22.514 ( -5.093 -1.392 0.631) 5.317 22.853 ( 2.249 -3.208 3.658) 5.360 22.939 ( 0.822 -0.347 0.334) 0.952 23.004 ( 0.163 -0.967 2.274) 2.477 23.732 ( 0.086 -5.526 -2.880) 6.232 ======================= Grid point 93 (38/130) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.823 20.362 1.045) 20.405 0.952 ( -1.262 13.590 3.471) 14.083 1.213 ( -0.366 -2.958 -0.267) 2.993 1.365 ( 1.640 -0.016 -1.527) 2.241 1.467 ( -3.289 5.043 -0.335) 6.029 1.532 ( -6.770 3.066 -1.320) 7.548 1.816 ( 2.188 -0.037 -0.247) 2.203 1.861 ( 3.344 1.632 -5.047) 6.270 1.941 ( 2.768 2.795 -4.001) 5.611 2.096 ( -1.423 -3.139 -0.183) 3.451 2.312 ( -0.448 -1.526 4.105) 4.403 2.361 ( 0.249 -0.997 7.191) 7.265 2.731 ( -0.831 11.841 3.458) 12.363 2.821 ( 1.300 3.542 -0.835) 3.865 2.867 ( -3.151 -1.278 -1.073) 3.566 2.951 ( 1.020 1.083 -2.988) 3.338 3.023 ( 4.768 0.710 3.076) 5.718 3.221 ( -0.284 5.888 0.873) 5.959 3.471 ( -5.161 0.099 -5.105) 7.260 3.576 ( -1.490 -2.217 3.588) 4.473 3.968 ( 0.045 -0.236 2.680) 2.691 4.024 ( 3.210 1.530 4.842) 6.007 4.169 ( 1.095 4.562 -0.843) 4.766 4.833 ( -0.524 -1.706 1.700) 2.464 5.582 ( -0.249 -3.182 0.138) 3.195 5.792 ( -0.342 6.491 -0.232) 6.504 6.029 ( 0.288 -7.264 0.346) 7.278 6.304 ( -0.091 0.482 0.278) 0.563 6.485 ( 1.127 0.004 -0.865) 1.420 6.618 ( -2.852 -1.036 -5.642) 6.406 8.570 ( 0.215 6.139 0.930) 6.213 8.754 ( 0.296 4.544 -0.411) 4.572 9.407 ( 0.204 0.605 -2.064) 2.161 9.653 ( -2.014 -2.941 5.661) 6.690 10.809 ( -1.560 1.884 -1.094) 2.680 10.862 ( 0.866 1.445 1.356) 2.163 11.136 ( -0.132 3.227 -3.858) 5.031 11.174 ( 2.504 0.227 -3.862) 4.609 11.920 ( -5.874 -0.999 2.552) 6.482 12.107 ( 5.978 -2.452 -0.051) 6.461 21.923 ( 0.504 4.196 0.246) 4.233 22.358 ( 2.228 -0.678 -0.851) 2.479 22.408 ( -2.498 2.631 0.265) 3.638 22.448 ( 0.342 1.293 0.479) 1.421 22.881 ( 0.373 -3.202 3.269) 4.592 22.959 ( 0.895 -0.677 0.336) 1.171 23.000 ( -0.980 -0.870 3.331) 3.579 23.724 ( -0.511 -5.052 -3.467) 6.148 ======================= Grid point 94 (39/130) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 1.973 18.128 1.402) 18.289 0.968 ( 1.509 12.830 1.815) 13.045 1.233 ( 0.636 -1.448 -0.217) 1.596 1.248 ( -12.120 5.474 -0.666) 13.316 1.371 ( -2.053 -2.203 -2.341) 3.814 1.488 ( 1.338 6.373 -1.710) 6.733 1.852 ( 0.550 -0.000 0.073) 0.555 1.918 ( 2.191 3.512 -3.568) 5.465 2.031 ( 5.423 0.181 -3.037) 6.218 2.037 ( -4.585 -2.650 3.171) 6.172 2.239 ( -6.488 0.110 4.326) 7.799 2.362 ( -1.521 -0.908 7.276) 7.489 2.678 ( -4.064 7.324 2.684) 8.796 2.789 ( -2.591 2.243 0.028) 3.427 2.852 ( -0.519 0.480 -8.213) 8.243 2.966 ( 2.235 2.494 -0.861) 3.458 3.105 ( 1.437 1.447 2.227) 3.020 3.227 ( 0.839 3.613 2.499) 4.473 3.342 ( -6.691 -1.015 -1.206) 6.874 3.469 ( -7.726 3.914 -0.958) 8.713 3.973 ( 0.784 -1.596 3.743) 4.144 4.092 ( 2.817 1.960 4.492) 5.653 4.186 ( 0.839 4.354 -0.144) 4.436 4.776 ( -4.921 -1.933 1.443) 5.480 5.588 ( 0.802 -2.681 0.149) 2.802 5.781 ( -0.496 6.679 -0.408) 6.710 6.051 ( 1.596 -6.853 0.359) 7.045 6.311 ( 0.813 1.149 0.401) 1.463 6.489 ( -0.540 -1.443 -1.925) 2.466 6.655 ( 5.692 -1.454 -6.077) 8.453 8.574 ( 0.132 6.515 1.122) 6.613 8.757 ( 0.028 5.262 -0.275) 5.270 9.395 ( -1.053 0.353 -1.655) 1.993 9.590 ( -4.369 -2.324 4.287) 6.548 10.775 ( -1.492 1.853 -0.892) 2.541 10.876 ( 0.386 0.435 0.260) 0.637 11.083 ( -1.715 3.611 -1.733) 4.357 11.278 ( 4.871 0.576 -3.872) 6.249 11.785 ( -6.671 -0.165 0.888) 6.732 12.199 ( 2.213 -4.870 1.636) 5.594 21.942 ( 1.314 5.859 0.255) 6.010 22.361 ( -1.496 0.042 0.047) 1.498 22.414 ( 3.048 0.236 -0.645) 3.125 22.493 ( 3.212 3.073 0.835) 4.523 22.872 ( -1.841 -3.877 4.368) 6.124 22.952 ( -1.980 -0.757 2.212) 3.064 22.997 ( 1.426 -0.551 0.148) 1.536 23.707 ( -0.857 -5.438 -3.426) 6.484 ======================= Grid point 95 (40/130) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -7.209 13.337 0.112) 15.161 0.958 ( -8.905 12.184 5.533) 16.074 1.034 ( 2.988 7.900 -1.590) 8.595 1.266 ( -6.494 -0.345 1.196) 6.612 1.303 ( 1.143 1.729 -0.100) 2.076 1.543 ( 3.490 3.081 -1.321) 4.839 1.741 ( -13.444 1.477 5.164) 14.477 1.895 ( -4.150 -0.633 1.476) 4.450 1.998 ( 1.710 3.574 -0.634) 4.012 2.118 ( -2.942 0.786 2.149) 3.727 2.139 ( 4.366 -0.497 -1.026) 4.512 2.284 ( -6.727 -2.980 2.058) 7.640 2.596 ( -3.596 1.077 1.081) 3.906 2.732 ( -3.204 2.905 -1.934) 4.738 2.801 ( -2.755 1.658 -5.551) 6.415 3.018 ( -2.029 4.047 -1.008) 4.638 3.091 ( 0.985 4.871 -2.112) 5.400 3.211 ( -3.412 0.252 6.702) 7.524 3.267 ( 0.626 0.824 0.128) 1.043 3.342 ( -1.792 9.907 -2.768) 10.441 4.006 ( 1.641 -0.241 3.893) 4.231 4.153 ( 2.729 1.930 3.630) 4.935 4.215 ( 2.079 1.971 1.064) 3.056 4.647 ( -7.210 -1.713 0.673) 7.441 5.614 ( 1.685 -1.513 0.383) 2.297 5.777 ( 0.356 7.441 -0.758) 7.488 6.087 ( 1.678 -5.991 0.061) 6.222 6.334 ( 1.193 1.192 0.403) 1.734 6.472 ( -1.316 -1.776 -3.635) 4.254 6.768 ( 4.534 -4.773 -5.338) 8.476 8.576 ( -0.119 6.537 1.210) 6.650 8.758 ( 0.121 6.155 -0.128) 6.158 9.371 ( -0.857 -0.280 -0.597) 1.081 9.492 ( -5.021 -2.030 2.719) 6.061 10.749 ( -0.908 1.383 -1.241) 2.068 10.891 ( 1.514 1.137 -0.220) 1.906 11.084 ( 2.255 5.886 1.632) 6.511 11.350 ( 2.250 -0.608 -3.966) 4.600 11.659 ( -5.472 -0.242 0.724) 5.525 12.187 ( -3.866 -8.078 1.017) 9.013 21.983 ( 2.853 9.187 -1.191) 9.693 22.345 ( -0.211 -0.362 -0.171) 0.453 22.483 ( 3.727 2.195 0.721) 4.385 22.557 ( 2.203 1.919 0.984) 3.083 22.810 ( -3.896 -3.706 4.860) 7.248 22.921 ( -0.978 0.090 0.406) 1.063 23.042 ( 2.686 -1.958 0.384) 3.346 23.677 ( -1.973 -6.865 -2.432) 7.546 ======================= Grid point 96 (41/130) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -12.316 6.426 6.606) 15.382 0.767 ( -12.280 13.836 7.448) 19.942 1.070 ( -7.616 10.730 13.593) 18.918 1.152 ( 4.493 3.632 -1.223) 5.906 1.265 ( -7.959 5.982 4.741) 11.028 1.483 ( -4.987 1.589 3.128) 6.098 1.620 ( 2.868 1.430 -1.905) 3.728 1.781 ( -6.681 -2.987 2.082) 7.609 2.005 ( -1.856 6.945 -3.954) 8.204 2.093 ( -8.538 -6.021 -6.434) 12.270 2.126 ( 2.070 0.776 2.858) 3.613 2.225 ( 3.074 -0.500 -2.759) 4.160 2.533 ( -3.028 -0.845 3.209) 4.492 2.670 ( -1.727 0.949 -1.667) 2.581 2.749 ( -2.210 3.126 -2.548) 4.599 2.900 ( -5.477 9.031 -1.899) 10.732 3.128 ( 0.356 3.544 5.508) 6.559 3.191 ( 0.408 6.039 -4.736) 7.686 3.268 ( 1.176 0.039 1.140) 1.638 3.442 ( 8.940 10.856 -1.505) 14.144 4.043 ( 1.533 0.957 5.971) 6.239 4.184 ( 0.087 3.192 -0.359) 3.214 4.273 ( 2.726 -2.422 1.977) 4.149 4.510 ( -5.305 -1.693 1.034) 5.664 5.659 ( 2.397 -0.571 0.121) 2.467 5.813 ( 4.031 10.532 -3.490) 11.805 6.114 ( 0.700 -4.963 -0.687) 5.059 6.354 ( 0.589 0.832 -0.184) 1.036 6.395 ( -5.901 -0.188 -4.351) 7.333 6.816 ( 0.867 -9.632 1.008) 9.724 8.571 ( -0.444 5.930 1.084) 6.044 8.758 ( -0.325 6.158 -0.042) 6.167 9.350 ( -2.023 -0.865 -1.908) 2.912 9.413 ( -1.901 -1.694 3.076) 3.993 10.741 ( 0.389 1.333 -2.071) 2.494 10.934 ( 1.884 3.397 -1.679) 4.232 11.224 ( 12.192 5.415 6.118) 14.676 11.365 ( -0.008 -1.330 -2.751) 3.056 11.564 ( -3.849 -0.769 -1.018) 4.055 12.027 ( -11.657 -10.825 2.116) 16.048 22.059 ( 4.406 13.030 -7.549) 15.690 22.350 ( 0.880 0.324 0.447) 1.039 22.556 ( 0.222 -1.065 0.398) 1.158 22.590 ( 4.403 4.081 3.267) 6.834 22.753 ( -1.654 -1.797 3.088) 3.938 22.906 ( -0.564 0.138 -0.080) 0.586 23.094 ( 1.715 -3.391 0.338) 3.815 23.610 ( -4.779 -9.176 1.866) 10.513 ======================= Grid point 97 (42/130) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 5.597 6.616 13.924) 16.401 0.875 ( -2.733 14.226 7.076) 16.122 1.032 ( 3.585 -1.613 6.755) 7.816 1.348 ( 2.171 3.839 -2.660) 5.151 1.479 ( -0.313 4.175 4.384) 6.062 1.581 ( -3.480 16.985 8.609) 19.357 1.628 ( -3.936 -0.227 -1.770) 4.321 1.676 ( 2.442 0.777 0.104) 2.564 1.878 ( 1.841 -0.234 -2.923) 3.462 2.027 ( -3.627 -2.483 -1.968) 4.816 2.159 ( 0.222 -1.529 -1.618) 2.237 2.304 ( 2.605 0.451 0.464) 2.684 2.474 ( -1.266 1.257 3.350) 3.795 2.631 ( 1.699 -3.129 0.254) 3.570 2.873 ( 0.121 8.132 -5.781) 9.978 3.004 ( -0.410 5.178 -2.597) 5.807 3.173 ( -3.079 4.211 0.807) 5.278 3.369 ( 0.786 7.828 0.680) 7.897 3.476 ( 3.289 14.471 1.343) 14.901 3.700 ( -1.481 7.061 -0.428) 7.227 4.083 ( -0.874 2.590 1.963) 3.365 4.236 ( -2.580 1.660 -1.129) 3.270 4.336 ( 4.791 -0.116 1.594) 5.051 4.392 ( -1.964 0.787 2.963) 3.641 5.672 ( -0.208 -0.404 -0.020) 0.455 5.967 ( 0.426 -6.982 -0.565) 7.018 6.034 ( -4.028 4.482 -9.478) 11.231 6.379 ( 2.101 1.135 0.230) 2.399 6.433 ( 7.937 -0.269 1.222) 8.035 6.574 ( -2.723 -10.210 4.353) 11.428 8.692 ( -0.912 6.857 1.545) 7.088 8.822 ( -2.397 3.748 2.694) 5.201 9.281 ( -1.312 -0.490 -2.216) 2.622 9.377 ( 1.097 -1.926 1.778) 2.841 10.789 ( 1.371 2.588 -4.590) 5.444 11.082 ( 1.887 5.886 -5.422) 8.222 11.307 ( -0.484 -1.859 0.163) 1.927 11.376 ( -8.331 1.027 -1.499) 8.527 11.512 ( 0.262 -0.973 -0.680) 1.216 11.800 ( 7.893 -4.535 10.459) 13.865 22.227 ( -3.848 4.595 -10.311) 11.926 22.418 ( 2.178 -0.005 -1.347) 2.561 22.525 ( 1.786 -2.683 1.938) 3.761 22.637 ( -1.150 -4.336 -1.665) 4.785 22.823 ( 1.002 7.181 1.368) 7.378 22.907 ( 0.522 0.195 -0.431) 0.705 22.998 ( -2.839 -2.698 2.402) 4.594 23.432 ( 0.996 -3.249 8.148) 8.828 ======================= Grid point 98 (43/130) ======================= q-point: ( 0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 14.018 10.046 1.353) 17.299 1.007 ( 13.791 8.339 11.694) 19.912 1.170 ( 5.488 -2.067 3.128) 6.646 1.373 ( -0.797 7.626 -1.690) 7.852 1.501 ( -2.544 6.005 2.495) 6.983 1.520 ( 4.819 0.847 7.459) 8.920 1.580 ( -0.071 1.729 0.698) 1.866 1.770 ( 6.504 3.438 1.376) 7.484 1.946 ( 1.084 2.190 -0.140) 2.447 1.971 ( 0.564 -0.866 -4.538) 4.655 2.154 ( -0.375 -2.083 -0.574) 2.193 2.326 ( -0.541 -1.160 1.113) 1.696 2.497 ( 3.685 1.507 1.249) 4.173 2.704 ( 4.982 -3.053 1.994) 6.174 2.889 ( 1.801 7.051 -4.706) 8.666 2.994 ( -0.486 7.118 -2.400) 7.527 3.108 ( -2.162 3.517 -0.592) 4.171 3.393 ( 0.668 4.346 2.712) 5.166 3.528 ( 1.310 11.975 1.168) 12.103 3.595 ( -6.923 10.416 1.022) 12.548 4.063 ( -1.256 3.524 1.433) 4.006 4.140 ( -5.952 1.013 -0.792) 6.090 4.319 ( -2.106 4.750 0.967) 5.286 4.497 ( 7.237 -1.297 1.594) 7.523 5.637 ( -2.505 -0.039 0.007) 2.505 5.930 ( -2.674 0.466 -1.712) 3.209 5.973 ( -1.154 -2.169 -2.445) 3.467 6.368 ( -1.858 0.482 -0.029) 1.920 6.514 ( -1.109 -3.749 1.635) 4.238 6.681 ( 8.855 -10.691 -1.059) 13.922 8.683 ( -0.000 6.549 1.018) 6.628 8.796 ( -0.243 3.755 1.530) 4.062 9.285 ( 1.897 0.307 -1.330) 2.337 9.421 ( 3.128 -2.264 1.013) 3.993 10.806 ( 0.625 2.524 -3.431) 4.305 11.100 ( 0.661 8.358 -5.053) 9.789 11.183 ( -8.594 5.065 2.520) 10.289 11.326 ( 0.823 -4.793 -0.197) 4.867 11.513 ( 2.478 -0.087 -1.311) 2.805 11.999 ( 6.970 -7.336 6.523) 12.039 22.128 ( -4.317 5.336 -7.261) 9.992 22.427 ( -1.252 -0.064 -0.407) 1.318 22.560 ( -1.882 -2.103 -3.225) 4.285 22.605 ( 1.972 -4.045 3.549) 5.731 22.780 ( -4.084 9.375 4.051) 10.999 22.934 ( 0.199 -0.152 0.799) 0.837 22.957 ( 0.002 -3.145 -1.211) 3.371 23.495 ( 3.522 -5.972 4.329) 8.174 ======================= Grid point 99 (44/130) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 11.545 9.255 -2.029) 14.935 1.181 ( -2.073 -0.208 0.481) 2.138 1.237 ( 2.450 9.885 2.135) 10.406 1.344 ( 0.026 7.836 -0.573) 7.857 1.497 ( 1.511 1.592 5.443) 5.869 1.561 ( 1.296 -0.634 1.328) 1.962 1.705 ( 6.799 -0.266 1.950) 7.078 1.931 ( 4.678 5.511 6.158) 9.496 1.960 ( 0.093 1.257 -1.548) 1.997 1.985 ( 3.038 0.287 -4.159) 5.158 2.171 ( 3.168 -2.279 2.639) 4.711 2.301 ( -1.400 -1.113 2.691) 3.231 2.615 ( 6.857 0.125 -0.190) 6.861 2.800 ( 2.798 0.320 1.437) 3.162 2.947 ( 4.190 6.189 -2.242) 7.803 2.982 ( -0.671 3.862 -2.613) 4.711 3.120 ( 3.955 1.443 0.769) 4.279 3.348 ( -6.056 3.016 3.026) 7.411 3.460 ( -2.503 10.680 3.013) 11.376 3.573 ( 0.938 7.068 0.288) 7.136 4.008 ( -3.794 0.618 3.983) 5.535 4.058 ( -1.272 6.052 -2.290) 6.595 4.289 ( -0.831 6.441 -1.535) 6.673 4.645 ( 6.629 -1.879 0.736) 6.929 5.590 ( -1.954 -0.444 0.299) 2.026 5.896 ( -0.853 -1.110 -0.322) 1.436 5.943 ( -1.417 -1.139 -0.954) 2.054 6.320 ( -2.416 -2.375 0.397) 3.411 6.494 ( -0.937 -1.571 0.788) 1.992 6.760 ( -0.839 -7.361 -3.233) 8.083 8.692 ( 0.620 6.883 0.906) 6.970 8.808 ( 1.093 3.923 0.626) 4.121 9.345 ( 3.415 0.966 -1.042) 3.699 9.502 ( 4.296 -3.168 0.553) 5.366 10.816 ( 0.761 2.066 -1.849) 2.875 11.044 ( -5.218 5.951 3.403) 8.616 11.118 ( 1.738 8.483 -3.838) 9.472 11.296 ( -3.116 -3.268 -1.958) 4.922 11.643 ( 8.911 -1.799 -0.178) 9.093 12.073 ( 0.314 -5.843 3.166) 6.653 22.053 ( -2.374 5.744 -3.571) 7.169 22.378 ( -2.844 0.539 1.233) 3.146 22.499 ( -2.677 -2.047 -2.853) 4.415 22.642 ( -2.397 -0.292 6.031) 6.497 22.729 ( 1.409 3.878 1.732) 4.474 22.924 ( -0.193 -0.524 0.277) 0.624 22.976 ( 0.945 -0.808 -0.477) 1.331 23.558 ( 2.218 -8.209 -0.274) 8.508 ======================= Grid point 100 (45/130) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -1.815 -0.198 0.433) 1.876 1.204 ( -2.807 12.296 0.719) 12.633 1.251 ( 3.961 9.265 -2.520) 10.387 1.360 ( 0.573 5.514 -2.094) 5.925 1.557 ( 3.455 2.365 4.009) 5.797 1.605 ( 2.310 1.611 1.014) 2.994 1.814 ( 4.572 1.280 -3.359) 5.816 1.878 ( -4.233 2.810 0.006) 5.081 1.960 ( -1.137 -0.203 0.269) 1.186 2.051 ( 0.308 -1.454 -2.911) 3.268 2.261 ( 2.080 -1.445 7.104) 7.542 2.318 ( 3.175 1.128 5.578) 6.517 2.755 ( 5.722 -0.102 2.246) 6.148 2.843 ( 2.922 0.226 -0.757) 3.027 2.950 ( -2.093 2.783 -2.241) 4.141 3.009 ( 0.410 2.966 0.661) 3.066 3.152 ( -2.664 13.492 0.766) 13.774 3.321 ( 3.476 -2.871 6.431) 7.854 3.457 ( 2.619 5.306 0.825) 5.975 3.559 ( -2.626 1.532 -2.530) 3.955 3.974 ( 0.013 0.358 3.620) 3.638 4.049 ( 0.589 6.859 0.480) 6.901 4.281 ( 0.266 7.141 -3.077) 7.780 4.756 ( 3.660 -2.426 0.007) 4.391 5.555 ( -1.426 -0.958 0.293) 1.743 5.879 ( -0.892 -6.609 0.010) 6.669 5.923 ( -0.409 4.202 -0.033) 4.222 6.281 ( -1.228 -3.445 0.374) 3.676 6.480 ( -0.224 0.175 -0.224) 0.362 6.683 ( -5.109 -3.532 -3.244) 7.007 8.707 ( 0.703 7.417 1.225) 7.550 8.835 ( 1.355 4.410 0.649) 4.659 9.406 ( 2.353 1.643 -1.859) 3.419 9.578 ( 2.514 -3.016 0.657) 3.981 10.836 ( 1.087 1.540 -0.855) 2.070 10.961 ( -3.220 4.915 2.377) 6.338 11.168 ( 3.191 7.216 -1.809) 8.094 11.220 ( -3.504 -1.680 -3.490) 5.223 11.826 ( 7.519 -3.569 1.998) 8.559 12.046 ( -2.229 -3.078 0.005) 3.800 22.023 ( -0.367 5.755 -0.744) 5.815 22.335 ( -1.114 0.196 0.825) 1.400 22.445 ( -2.482 -3.181 -0.315) 4.047 22.569 ( -3.233 4.492 3.338) 6.463 22.782 ( 2.002 -1.643 2.034) 3.293 22.931 ( 0.677 -0.392 0.120) 0.792 22.991 ( 0.526 0.071 0.763) 0.929 23.586 ( 0.691 -8.391 -2.621) 8.817 ======================= Grid point 101 (46/130) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -1.117 1.747 0.146) 2.079 1.163 ( 0.153 11.721 0.710) 11.744 1.284 ( 1.037 11.828 -0.933) 11.910 1.360 ( -0.604 1.071 -3.236) 3.462 1.574 ( -3.671 6.200 1.561) 7.373 1.625 ( -0.938 4.232 0.303) 4.345 1.830 ( 0.645 1.458 0.219) 1.610 1.902 ( 4.097 1.648 -3.803) 5.828 1.951 ( 1.132 -2.001 0.159) 2.305 2.022 ( -2.029 -3.059 -2.135) 4.246 2.295 ( 0.244 0.131 5.196) 5.203 2.357 ( 0.469 0.551 6.563) 6.603 2.806 ( -1.109 -0.690 1.955) 2.351 2.894 ( -2.537 1.904 -0.658) 3.239 2.938 ( 2.876 0.591 0.031) 2.936 2.965 ( -1.162 0.825 2.759) 3.105 3.156 ( 2.055 14.027 0.872) 14.204 3.340 ( -0.884 3.995 3.733) 5.539 3.461 ( -6.159 -0.308 -2.528) 6.665 3.547 ( 3.443 0.622 0.144) 3.501 3.973 ( -1.002 0.769 2.028) 2.389 4.092 ( 3.108 5.434 3.509) 7.176 4.290 ( 0.560 6.782 -3.215) 7.526 4.785 ( -0.818 -2.946 -0.630) 3.122 5.537 ( -0.227 -1.179 0.143) 1.210 5.870 ( 0.355 -7.880 0.135) 7.889 5.919 ( -0.150 5.691 0.380) 5.705 6.272 ( 0.291 -3.319 0.489) 3.367 6.487 ( 0.425 0.227 -0.700) 0.850 6.592 ( -2.053 -1.494 -3.847) 4.609 8.722 ( 0.605 7.892 1.720) 8.100 8.861 ( 0.980 5.089 1.065) 5.291 9.431 ( 0.163 1.879 -2.630) 3.236 9.595 ( -1.010 -2.278 0.719) 2.593 10.844 ( -0.653 1.518 -0.602) 1.759 10.917 ( -0.999 3.555 1.340) 3.929 11.155 ( -1.984 -0.009 -3.172) 3.741 11.245 ( 3.839 5.009 -1.224) 6.429 11.882 ( -3.123 -2.650 2.558) 4.829 12.044 ( 2.668 -3.599 -0.973) 4.584 22.035 ( 1.456 6.332 0.967) 6.569 22.339 ( 1.489 -0.921 -0.146) 1.757 22.393 ( -2.490 -2.018 1.467) 3.525 22.545 ( 0.771 4.084 2.094) 4.654 22.802 ( -0.273 -2.693 2.055) 3.398 22.942 ( 0.277 -0.903 0.222) 0.970 22.997 ( -0.116 0.810 1.080) 1.355 23.586 ( -0.431 -8.147 -3.490) 8.873 ======================= Grid point 102 (47/130) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -1.734 5.209 -1.866) 5.799 1.194 ( 0.256 8.794 -0.373) 8.805 1.298 ( -5.725 -1.699 -3.318) 6.832 1.324 ( 2.781 10.310 -1.254) 10.752 1.458 ( -4.438 11.907 4.460) 13.467 1.597 ( -1.649 3.646 -0.078) 4.002 1.857 ( 0.488 0.328 -0.333) 0.675 1.945 ( -2.580 -2.787 1.221) 3.989 1.983 ( 2.579 -0.851 0.794) 2.829 2.028 ( 4.269 0.206 -3.578) 5.574 2.252 ( -4.369 0.658 3.462) 5.612 2.360 ( -2.311 0.510 9.069) 9.373 2.707 ( -6.854 -0.246 -0.313) 6.865 2.857 ( -1.665 1.845 -0.458) 2.527 2.909 ( -3.074 1.727 -1.195) 3.723 3.041 ( 6.121 2.073 -0.845) 6.517 3.186 ( -0.511 6.969 1.766) 7.207 3.309 ( -5.556 -0.517 4.536) 7.191 3.344 ( -0.388 8.067 -0.318) 8.083 3.572 ( -0.708 5.263 -1.627) 5.554 3.955 ( 0.111 0.544 2.834) 2.887 4.163 ( 3.139 4.817 3.872) 6.932 4.290 ( -0.290 5.654 -2.851) 6.339 4.725 ( -4.738 -2.985 -0.848) 5.664 5.549 ( 1.298 -1.124 0.090) 1.720 5.894 ( 1.522 -7.359 0.389) 7.525 5.918 ( 0.315 5.512 0.008) 5.521 6.291 ( 1.374 -3.048 0.554) 3.389 6.472 ( -1.167 0.079 -0.952) 1.508 6.616 ( 3.361 -2.321 -4.724) 6.245 8.733 ( 0.258 8.195 2.163) 8.479 8.878 ( 0.681 5.735 1.702) 6.021 9.410 ( -1.798 1.286 -2.401) 3.264 9.542 ( -3.931 -1.962 0.300) 4.403 10.810 ( -2.071 1.584 -1.113) 2.835 10.918 ( 0.787 2.992 -0.109) 3.096 11.141 ( 0.958 2.070 -2.124) 3.116 11.317 ( 3.007 3.152 -0.482) 4.383 11.775 ( -6.268 -0.856 0.763) 6.372 12.077 ( -0.496 -6.563 0.675) 6.616 22.085 ( 3.310 7.530 1.200) 8.312 22.352 ( -1.303 -0.699 0.882) 1.721 22.394 ( 3.483 -1.793 -0.801) 3.998 22.597 ( 3.707 4.472 3.073) 6.571 22.772 ( -2.879 -3.728 2.338) 5.258 22.939 ( -0.667 -0.682 0.537) 1.095 22.995 ( 0.181 0.669 0.408) 0.805 23.563 ( -1.463 -8.251 -3.233) 8.981 ======================= Grid point 103 (48/130) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -11.102 6.223 -4.298) 13.433 1.135 ( -0.905 4.445 -1.687) 4.840 1.193 ( -5.778 4.031 1.720) 7.252 1.378 ( -0.685 7.466 -0.335) 7.505 1.414 ( 0.651 11.171 3.264) 11.657 1.574 ( -0.187 0.519 1.963) 2.039 1.789 ( -7.349 2.564 4.283) 8.884 1.868 ( -4.429 -0.031 2.719) 5.197 2.060 ( 3.643 0.000 -1.093) 3.804 2.106 ( 1.934 -0.280 -1.628) 2.544 2.153 ( -4.114 0.416 3.449) 5.384 2.239 ( -8.000 -1.003 4.596) 9.280 2.590 ( -3.897 0.401 -0.948) 4.031 2.765 ( -7.511 -1.409 -0.005) 7.642 2.865 ( 0.541 4.965 -3.156) 5.909 3.129 ( -4.316 2.860 0.189) 5.181 3.212 ( 6.557 5.303 -1.517) 8.568 3.220 ( 0.719 1.176 0.216) 1.395 3.375 ( 1.671 11.930 3.272) 12.483 3.551 ( 0.266 9.748 -0.043) 9.752 4.001 ( 3.552 0.232 4.050) 5.392 4.220 ( 1.876 4.658 3.158) 5.932 4.275 ( -0.825 3.464 -2.078) 4.122 4.602 ( -6.607 -2.496 -0.618) 7.090 5.587 ( 2.362 -0.921 0.219) 2.545 5.913 ( 0.811 0.311 0.067) 0.871 5.954 ( 2.804 -1.708 -0.712) 3.359 6.324 ( 1.543 -2.797 0.130) 3.197 6.447 ( -1.490 0.079 -1.151) 1.884 6.667 ( 1.127 -4.673 -4.507) 6.589 8.732 ( -0.602 8.106 2.320) 8.453 8.890 ( 0.079 5.863 2.256) 6.282 9.366 ( -1.866 -0.091 -1.206) 2.223 9.447 ( -4.789 -2.018 -0.049) 5.197 10.773 ( -1.107 1.613 -2.418) 3.111 10.954 ( 2.948 3.386 -1.801) 4.837 11.192 ( 4.230 4.224 0.464) 5.996 11.358 ( 0.784 2.051 -0.533) 2.259 11.645 ( -5.937 -1.035 0.079) 6.027 12.010 ( -6.147 -8.458 1.399) 10.549 22.172 ( 4.942 8.227 -1.346) 9.691 22.339 ( 0.006 -0.063 0.016) 0.065 22.474 ( 3.953 -1.980 -0.654) 4.469 22.676 ( 0.389 7.571 1.449) 7.718 22.701 ( -0.898 -5.970 4.778) 7.699 22.923 ( -0.719 0.032 0.258) 0.765 23.010 ( 1.089 -0.697 0.486) 1.381 23.519 ( -2.669 -8.121 -1.328) 8.651 ======================= Grid point 104 (49/130) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -14.690 6.444 3.278) 16.373 1.020 ( -9.222 12.796 6.475) 17.050 1.090 ( -6.785 -2.557 1.208) 7.350 1.319 ( -0.346 5.203 -2.394) 5.738 1.465 ( 1.865 6.243 2.098) 6.845 1.594 ( 1.473 4.705 4.919) 6.964 1.655 ( -4.127 10.190 6.798) 12.926 1.754 ( -6.007 0.351 2.037) 6.353 1.965 ( -9.027 -4.940 -2.208) 10.525 2.089 ( -2.031 -0.807 -1.324) 2.555 2.140 ( 1.800 -0.187 -0.109) 1.813 2.233 ( 3.731 1.100 -1.077) 4.037 2.523 ( -3.166 0.403 2.851) 4.279 2.642 ( -3.187 -2.762 -0.451) 4.241 2.879 ( 0.431 8.707 -5.506) 10.310 3.039 ( -3.352 2.580 -0.971) 4.340 3.204 ( -0.285 1.777 2.393) 2.994 3.360 ( 2.613 7.689 -4.845) 9.456 3.400 ( 2.406 15.892 2.318) 16.239 3.634 ( 6.346 8.007 2.506) 10.520 4.074 ( 2.243 1.907 3.599) 4.650 4.250 ( 1.747 1.311 2.437) 3.273 4.262 ( -0.351 3.173 -1.601) 3.571 4.474 ( -5.316 -1.670 0.862) 5.638 5.642 ( 2.614 -0.758 0.210) 2.730 5.941 ( 1.779 -2.967 -1.063) 3.619 6.025 ( 4.110 1.369 -3.577) 5.617 6.341 ( -0.323 -2.704 -0.983) 2.896 6.406 ( -1.588 1.454 0.233) 2.166 6.641 ( -3.031 -6.785 -0.688) 7.463 8.714 ( -1.220 7.588 2.100) 7.968 8.873 ( -2.099 4.684 2.565) 5.738 9.330 ( -2.370 -1.010 -2.278) 3.439 9.372 ( -1.450 -2.060 1.990) 3.210 10.767 ( 0.772 2.116 -3.889) 4.494 11.027 ( 3.743 3.510 -4.329) 6.713 11.328 ( 5.920 4.624 2.142) 7.811 11.349 ( 1.348 0.630 0.736) 1.660 11.539 ( -4.311 -1.645 -1.961) 5.014 11.842 ( -9.052 -7.227 4.708) 12.503 22.260 ( 2.507 6.404 -9.000) 11.326 22.358 ( 2.288 0.456 0.975) 2.528 22.521 ( -0.320 -2.182 0.950) 2.401 22.630 ( 0.147 -3.130 0.413) 3.161 22.766 ( 3.145 5.392 3.791) 7.304 22.912 ( -0.388 0.415 -0.201) 0.603 23.028 ( 0.099 -1.998 1.275) 2.373 23.456 ( -3.073 -5.941 3.637) 7.614 ======================= Grid point 105 (50/130) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 4.438 7.430 9.902) 13.151 0.928 ( 2.269 -4.071 5.548) 7.246 1.198 ( -1.082 11.898 6.466) 13.585 1.403 ( 1.363 1.360 1.312) 2.330 1.548 ( -1.227 2.981 0.569) 3.273 1.599 ( -3.515 -1.198 -1.347) 3.951 1.708 ( 0.675 2.826 -1.398) 3.224 1.750 ( -1.337 1.182 -4.984) 5.293 1.925 ( -2.768 -4.030 -2.300) 5.403 1.991 ( 0.713 2.216 3.677) 4.352 2.153 ( 1.295 3.384 2.303) 4.293 2.295 ( 1.584 -1.076 1.165) 2.242 2.500 ( -0.638 0.948 2.947) 3.161 2.562 ( 1.207 -3.150 1.128) 3.557 2.970 ( -1.602 2.055 -2.894) 3.894 3.020 ( -0.192 -1.628 -4.225) 4.532 3.331 ( -0.859 9.332 1.410) 9.477 3.498 ( -0.756 2.769 -2.359) 3.716 3.778 ( 1.943 12.996 2.384) 13.355 3.854 ( 1.058 7.621 4.202) 8.766 4.137 ( -0.500 2.480 1.052) 2.740 4.236 ( -3.588 -1.272 -1.975) 4.288 4.349 ( 4.048 1.544 1.797) 4.690 4.423 ( -0.035 0.998 2.959) 3.123 5.670 ( 0.137 0.367 0.088) 0.401 5.817 ( 0.141 -7.120 0.045) 7.121 6.106 ( -2.283 3.202 -6.142) 7.293 6.309 ( 3.426 -7.292 0.988) 8.117 6.424 ( -0.569 1.633 -0.157) 1.736 6.489 ( 0.312 -1.115 0.119) 1.163 8.818 ( -1.706 5.047 1.897) 5.655 8.881 ( -2.454 1.792 2.715) 4.075 9.280 ( -0.222 0.473 -1.085) 1.204 9.337 ( 1.218 -1.910 1.265) 2.594 10.873 ( 1.922 5.367 -5.449) 7.886 11.101 ( 3.880 -3.736 -6.452) 8.405 11.336 ( -5.044 3.700 2.175) 6.622 11.408 ( -5.085 1.540 -1.951) 5.660 11.500 ( 1.262 0.888 0.675) 1.685 11.703 ( 5.748 -5.338 7.682) 10.979 22.311 ( -3.435 4.095 -6.488) 8.405 22.410 ( 1.455 -0.292 -0.508) 1.568 22.463 ( 1.326 -2.919 1.194) 3.421 22.527 ( -1.156 -5.888 -2.397) 6.461 22.898 ( 1.331 0.550 -0.524) 1.533 22.919 ( 0.056 -0.271 -0.395) 0.482 23.059 ( -1.646 8.335 4.732) 9.725 23.357 ( 0.695 -4.706 5.639) 7.378 ======================= Grid point 106 (51/130) ======================= q-point: ( 0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 15.580 4.650 5.090) 17.038 1.096 ( 9.261 -2.051 4.078) 10.325 1.248 ( 5.187 10.268 6.427) 13.178 1.469 ( 2.506 2.157 0.063) 3.307 1.489 ( -1.567 -0.896 0.364) 1.842 1.525 ( 0.114 -0.927 0.478) 1.050 1.719 ( -1.861 7.560 -1.392) 7.909 1.803 ( 6.701 -0.041 -2.917) 7.309 1.903 ( 1.873 -3.738 -2.289) 4.766 2.008 ( 0.135 -2.062 0.151) 2.072 2.169 ( -0.315 5.409 5.294) 7.575 2.301 ( -0.848 -1.207 1.563) 2.149 2.529 ( 3.514 1.678 1.786) 4.284 2.633 ( 5.413 -3.622 2.323) 6.915 2.962 ( 0.555 1.535 -1.944) 2.538 3.024 ( 0.794 -1.957 -5.472) 5.865 3.261 ( -4.890 8.927 1.397) 10.274 3.449 ( -3.775 0.334 0.255) 3.799 3.785 ( -1.484 10.143 2.215) 10.488 3.818 ( -4.216 10.521 3.225) 11.784 4.119 ( -2.831 2.226 2.612) 4.449 4.181 ( -0.470 2.789 -2.586) 3.833 4.402 ( 0.253 2.784 0.870) 2.928 4.474 ( 5.430 -1.037 1.873) 5.836 5.643 ( -2.222 0.861 0.194) 2.391 5.801 ( -1.548 -6.927 0.012) 7.098 6.049 ( -2.085 4.324 -3.366) 5.863 6.293 ( -3.535 -7.726 0.153) 8.497 6.464 ( 2.689 1.054 0.200) 2.895 6.565 ( 5.431 -3.093 -1.443) 6.415 8.800 ( -0.079 4.535 1.116) 4.671 8.856 ( -0.225 1.774 1.474) 2.317 9.305 ( 2.673 1.606 -0.537) 3.164 9.382 ( 3.008 -1.751 0.388) 3.502 10.893 ( 0.379 5.769 -3.777) 6.905 11.164 ( 1.861 -5.069 -5.428) 7.656 11.240 ( -4.437 3.216 1.160) 5.602 11.313 ( -2.419 2.699 -0.402) 3.647 11.538 ( 3.025 3.867 0.849) 4.983 11.845 ( 5.755 -7.982 5.979) 11.514 22.230 ( -3.490 5.004 -5.317) 8.093 22.423 ( -0.607 -0.680 0.354) 0.978 22.473 ( -1.973 -4.788 -3.121) 6.047 22.519 ( 2.017 -3.921 2.272) 4.960 22.916 ( -0.197 -0.416 -0.012) 0.461 22.918 ( -0.053 -0.134 -0.291) 0.324 23.012 ( -2.170 10.361 3.446) 11.133 23.373 ( 0.443 -6.536 3.842) 7.595 ======================= Grid point 107 (52/130) ======================= q-point: ( 0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.517 0.056 -0.115) 0.533 1.181 ( 4.459 0.734 -0.919) 4.611 1.382 ( 4.986 6.175 1.878) 8.156 1.486 ( 1.972 2.263 -2.127) 3.679 1.514 ( 5.265 2.373 2.401) 6.254 1.656 ( 3.115 3.263 4.620) 6.457 1.680 ( 2.092 2.571 -0.550) 3.360 1.964 ( 1.441 -1.977 -0.561) 2.510 1.968 ( 6.560 -0.130 -2.112) 6.893 1.996 ( -0.013 -1.207 -1.212) 1.710 2.176 ( 2.359 3.603 7.739) 8.857 2.282 ( -0.315 -0.858 3.636) 3.750 2.637 ( 6.181 2.138 0.901) 6.602 2.773 ( 6.665 -2.921 2.350) 7.647 2.972 ( 0.126 0.553 0.484) 0.745 3.037 ( 1.187 -1.527 -4.689) 5.072 3.181 ( -1.714 5.537 1.032) 5.887 3.357 ( -4.578 -1.757 2.778) 5.636 3.704 ( -5.397 8.605 3.040) 10.603 3.739 ( -3.855 8.093 -0.469) 8.977 4.048 ( -2.915 4.559 3.388) 6.384 4.182 ( -0.205 4.482 -0.907) 4.577 4.411 ( 0.957 5.505 -1.713) 5.845 4.598 ( 5.755 -2.951 -0.169) 6.470 5.596 ( -2.122 1.201 0.243) 2.451 5.764 ( -1.837 -6.872 -0.155) 7.115 6.019 ( -0.673 4.144 -0.984) 4.312 6.224 ( -2.737 -6.061 0.210) 6.654 6.499 ( 0.704 1.761 -0.160) 1.904 6.637 ( 0.987 -4.887 -1.973) 5.362 8.813 ( 1.027 4.621 1.114) 4.863 8.869 ( 1.223 1.746 1.052) 2.378 9.379 ( 4.083 2.241 -1.069) 4.778 9.458 ( 4.214 -1.535 -1.228) 4.650 10.890 ( -0.222 5.003 -1.494) 5.226 11.111 ( -4.684 -1.513 2.448) 5.498 11.218 ( 0.744 1.694 -5.850) 6.136 11.287 ( -0.815 2.964 0.929) 3.212 11.641 ( 6.600 2.730 0.110) 7.143 11.931 ( 2.333 -7.915 3.629) 9.014 22.167 ( -2.067 5.572 -3.283) 6.790 22.385 ( -2.532 -1.997 0.124) 3.227 22.425 ( -2.349 -1.826 -0.326) 2.993 22.555 ( 0.422 -5.157 4.376) 6.777 22.878 ( -2.464 4.390 1.359) 5.214 22.918 ( 0.099 -0.105 -0.072) 0.161 23.008 ( 1.124 6.300 -0.124) 6.401 23.387 ( 0.775 -8.751 0.228) 8.788 ======================= Grid point 108 (53/130) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -1.128 1.032 0.237) 1.547 1.224 ( 0.493 -2.269 -0.850) 2.473 1.460 ( 2.851 5.590 -2.250) 6.666 1.522 ( 0.123 6.656 -2.266) 7.033 1.624 ( 4.369 3.187 2.322) 5.885 1.666 ( 2.214 6.036 -0.188) 6.432 1.788 ( 4.401 -3.608 0.551) 5.718 1.913 ( -3.397 -3.157 0.456) 4.660 1.958 ( -3.104 3.499 -0.234) 4.683 2.041 ( -0.352 0.020 -2.761) 2.783 2.260 ( 3.571 1.545 7.568) 8.510 2.339 ( 3.663 0.247 6.723) 7.660 2.761 ( 4.975 1.256 2.379) 5.656 2.848 ( 1.198 -0.249 0.731) 1.426 2.952 ( -2.071 -0.353 1.108) 2.375 3.043 ( -2.228 -0.998 1.577) 2.906 3.244 ( 6.733 -1.265 1.422) 6.997 3.307 ( 0.371 0.000 2.153) 2.185 3.616 ( -2.786 7.090 0.319) 7.624 3.646 ( -4.733 5.842 -2.165) 7.824 4.020 ( -0.299 5.089 3.617) 6.251 4.175 ( -0.057 3.671 1.034) 3.815 4.432 ( 1.007 7.629 -3.880) 8.618 4.691 ( 3.008 -4.098 -1.875) 5.418 5.558 ( -1.554 1.317 0.053) 2.037 5.730 ( -1.287 -6.842 -0.237) 6.966 6.015 ( 0.136 4.013 0.437) 4.039 6.188 ( -0.755 -5.010 0.598) 5.102 6.499 ( -0.281 1.644 -0.460) 1.730 6.610 ( -2.719 -3.511 -1.834) 4.805 8.838 ( 1.155 4.997 1.717) 5.408 8.901 ( 1.660 1.781 1.605) 2.916 9.453 ( 2.900 2.790 -2.530) 4.753 9.538 ( 3.123 -1.302 -2.523) 4.221 10.886 ( -0.081 3.407 -0.166) 3.412 11.024 ( -3.807 -0.087 2.184) 4.390 11.210 ( -1.093 1.917 -2.956) 3.689 11.287 ( 0.983 3.263 -0.084) 3.409 11.779 ( 5.751 -0.086 0.451) 5.769 11.957 ( 0.247 -5.514 1.019) 5.613 22.143 ( 0.024 5.866 -0.827) 5.924 22.339 ( -1.635 -1.419 0.382) 2.198 22.379 ( -1.914 -1.191 1.922) 2.962 22.537 ( -2.037 -5.425 5.541) 8.018 22.847 ( -0.688 4.605 -0.271) 4.664 22.921 ( 0.122 -0.666 0.114) 0.687 23.036 ( 1.337 5.433 -0.729) 5.642 23.402 ( 0.669 -9.497 -2.332) 9.802 ======================= Grid point 109 (54/130) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.222 1.404 0.815) 1.639 1.227 ( 0.180 -2.235 -0.267) 2.258 1.481 ( -2.073 7.900 -3.500) 8.886 1.511 ( 0.827 8.403 -1.931) 8.662 1.679 ( 0.174 1.945 1.698) 2.588 1.703 ( -0.077 4.656 -0.747) 4.717 1.831 ( -0.165 -3.624 -0.247) 3.636 1.884 ( 1.130 -3.080 -0.543) 3.326 1.921 ( 0.420 2.244 1.082) 2.526 2.009 ( -0.852 0.511 -2.279) 2.486 2.326 ( 0.695 2.545 6.544) 7.056 2.371 ( -0.173 0.563 6.811) 6.836 2.800 ( -1.324 0.431 3.126) 3.422 2.896 ( 1.333 -2.985 2.405) 4.058 2.916 ( 0.537 0.626 1.152) 1.417 2.978 ( -2.463 -0.165 2.354) 3.412 3.317 ( -0.336 0.733 1.820) 1.990 3.351 ( 0.498 -1.094 2.113) 2.431 3.554 ( -2.762 6.802 -2.626) 7.797 3.609 ( 1.806 4.253 -1.887) 4.991 4.025 ( 0.075 5.272 3.313) 6.227 4.193 ( 1.683 2.595 2.716) 4.116 4.439 ( -0.031 7.912 -4.591) 9.147 4.711 ( -0.850 -4.487 -2.967) 5.445 5.538 ( -0.280 1.366 -0.190) 1.407 5.717 ( 0.172 -6.971 -0.221) 6.977 6.020 ( 0.247 4.293 1.117) 4.443 6.189 ( 0.552 -4.422 1.073) 4.584 6.496 ( -0.063 0.736 -0.780) 1.075 6.557 ( -1.367 -1.933 -2.233) 3.255 8.861 ( 0.952 5.389 2.535) 6.031 8.935 ( 1.342 1.875 2.525) 3.419 9.483 ( 0.056 3.006 -3.651) 4.730 9.566 ( -0.430 -0.928 -3.026) 3.194 10.879 ( -0.848 2.080 0.045) 2.247 10.962 ( -2.046 -0.013 0.938) 2.251 11.189 ( -0.296 3.919 -1.720) 4.290 11.320 ( 2.056 1.445 0.293) 2.529 11.838 ( -0.751 -0.727 0.929) 1.399 11.961 ( 0.378 -4.477 -0.342) 4.506 22.168 ( 2.322 6.490 1.306) 7.015 22.324 ( 0.198 -0.926 0.429) 1.040 22.354 ( -0.829 -1.074 2.666) 2.991 22.512 ( -0.170 -5.865 5.332) 7.928 22.837 ( -0.456 4.047 -0.881) 4.167 22.922 ( 0.013 -1.083 0.164) 1.095 23.053 ( 0.174 5.325 -0.792) 5.386 23.404 ( -0.327 -9.420 -3.308) 9.990 ======================= Grid point 110 (55/130) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.558 1.924 -0.053) 2.004 1.228 ( -0.970 -2.908 -0.744) 3.154 1.393 ( -5.221 8.457 -3.390) 10.502 1.519 ( -0.647 6.401 -2.054) 6.753 1.642 ( -3.336 1.791 1.961) 4.264 1.663 ( -2.581 5.516 0.845) 6.148 1.834 ( 0.108 -1.708 0.635) 1.825 1.911 ( 1.285 -0.993 1.000) 1.907 1.959 ( 2.917 0.340 -0.226) 2.946 2.041 ( 3.433 0.164 -2.397) 4.190 2.269 ( -5.376 1.256 5.172) 7.564 2.356 ( -3.866 -1.321 9.033) 9.914 2.730 ( -5.468 2.396 1.032) 6.059 2.863 ( -4.560 -2.529 1.915) 5.555 2.927 ( 1.268 2.674 0.976) 3.116 3.050 ( 8.349 -0.792 0.260) 8.391 3.256 ( -4.692 0.955 1.984) 5.183 3.297 ( -4.259 -0.495 0.872) 4.376 3.556 ( 2.288 8.255 -0.009) 8.566 3.658 ( 2.642 2.657 -1.291) 3.964 4.028 ( 0.286 7.050 3.109) 7.711 4.243 ( 2.633 1.426 3.257) 4.424 4.418 ( -1.757 6.949 -4.379) 8.399 4.655 ( -4.118 -3.970 -2.975) 6.447 5.548 ( 1.273 1.301 -0.216) 1.833 5.735 ( 1.451 -7.365 -0.146) 7.508 6.027 ( 0.478 4.747 0.991) 4.873 6.209 ( 1.232 -4.531 1.081) 4.819 6.486 ( -0.596 1.131 -0.975) 1.608 6.565 ( 1.607 -2.548 -3.131) 4.345 8.880 ( 0.464 5.729 3.266) 6.610 8.961 ( 0.878 1.996 3.542) 4.159 9.448 ( -2.956 2.322 -3.444) 5.098 9.516 ( -3.908 -0.836 -2.983) 4.987 10.849 ( -1.634 2.371 -1.021) 3.055 10.947 ( 0.457 -0.723 -1.035) 1.343 11.206 ( 2.138 4.894 -1.038) 5.441 11.367 ( 2.256 0.451 1.097) 2.549 11.768 ( -5.343 0.969 0.230) 5.435 11.946 ( -2.526 -6.193 0.489) 6.706 22.233 ( 3.520 6.870 1.647) 7.893 22.342 ( 0.036 -0.044 2.211) 2.212 22.356 ( 2.428 -1.677 -0.009) 2.951 22.543 ( 1.984 -7.004 5.300) 9.004 22.824 ( -0.513 5.163 -0.836) 5.255 22.921 ( -0.131 -1.036 0.213) 1.066 23.045 ( -0.572 4.936 -0.500) 4.994 23.384 ( -1.303 -9.188 -2.946) 9.736 ======================= Grid point 111 (56/130) ======================= q-point: (-0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -8.302 3.394 -2.951) 9.442 1.148 ( -4.327 -1.011 -1.243) 4.614 1.330 ( -1.062 6.932 1.174) 7.111 1.468 ( -4.026 1.232 -2.023) 4.671 1.553 ( -4.279 3.168 1.629) 5.568 1.624 ( -1.534 3.153 2.877) 4.535 1.838 ( -0.135 2.970 4.661) 5.529 1.925 ( -0.680 4.146 -0.525) 4.234 2.005 ( -0.352 -3.500 -1.816) 3.959 2.103 ( 0.509 -1.577 -1.265) 2.085 2.149 ( -4.762 0.226 4.777) 6.749 2.223 ( -6.309 -1.301 7.136) 9.614 2.613 ( -4.898 1.587 -0.215) 5.153 2.711 ( -8.351 -3.093 0.973) 8.958 3.003 ( 3.968 7.741 -0.192) 8.701 3.158 ( -4.817 0.778 -0.213) 4.884 3.226 ( -0.671 0.004 1.629) 1.761 3.271 ( 11.076 0.067 -1.441) 11.169 3.621 ( 3.833 8.726 2.231) 9.789 3.713 ( 2.777 4.983 0.073) 5.705 4.061 ( 2.739 6.805 3.636) 8.187 4.295 ( 1.782 0.521 1.825) 2.603 4.361 ( -3.217 5.640 -2.802) 7.072 4.547 ( -5.742 -3.001 -1.687) 6.695 5.586 ( 2.255 1.016 -0.031) 2.473 5.768 ( 1.576 -7.659 -0.057) 7.820 6.050 ( 1.856 4.908 -0.129) 5.249 6.239 ( 1.510 -4.761 0.411) 5.011 6.470 ( -1.121 1.778 -0.994) 2.325 6.582 ( -0.267 -3.712 -3.356) 5.011 8.882 ( -0.662 6.082 3.608) 7.102 8.972 ( -0.401 1.928 4.150) 4.594 9.372 ( -3.526 0.734 -2.085) 4.161 9.416 ( -4.984 -1.157 -2.303) 5.611 10.826 ( -0.261 3.513 -2.941) 4.589 10.973 ( 2.174 -1.736 -3.350) 4.355 11.277 ( 4.827 4.775 0.238) 6.794 11.411 ( 1.759 1.280 1.372) 2.572 11.637 ( -6.964 1.301 -0.208) 7.087 11.853 ( -6.372 -7.089 1.712) 9.684 22.303 ( 3.074 4.675 -1.150) 5.712 22.348 ( 0.590 1.009 1.126) 1.623 22.431 ( 3.989 -1.783 0.405) 4.388 22.561 ( -1.237 -6.540 2.912) 7.265 22.831 ( 1.473 5.585 0.836) 5.837 22.918 ( -0.202 -0.622 0.094) 0.660 23.041 ( 0.402 4.564 0.737) 4.641 23.354 ( -1.188 -8.149 -0.785) 8.272 ======================= Grid point 112 (57/130) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -13.125 6.179 2.317) 14.691 1.020 ( -8.399 -3.883 1.708) 9.410 1.275 ( -5.469 10.344 5.224) 12.814 1.394 ( -0.771 2.424 -1.130) 2.783 1.532 ( 1.500 2.473 0.461) 2.929 1.606 ( -0.113 0.284 2.774) 2.790 1.786 ( -5.067 2.518 1.251) 5.795 1.859 ( -7.811 -1.415 -2.882) 8.445 1.938 ( 0.210 5.541 2.154) 5.949 2.031 ( -3.974 -3.549 2.158) 5.749 2.128 ( 0.789 0.576 0.462) 1.080 2.238 ( 3.371 -0.830 0.930) 3.594 2.537 ( -2.848 0.503 2.359) 3.732 2.582 ( -3.472 -2.550 0.761) 4.375 3.026 ( -1.433 3.933 -3.883) 5.710 3.051 ( -4.063 0.035 -1.403) 4.298 3.284 ( 4.349 6.494 2.223) 8.126 3.460 ( 5.709 1.329 -3.189) 6.673 3.710 ( 4.074 11.221 2.729) 12.245 3.783 ( 4.133 6.561 3.078) 8.343 4.128 ( 2.311 4.140 2.764) 5.488 4.296 ( -1.099 0.851 -2.950) 3.261 4.311 ( -1.459 2.809 1.551) 3.525 4.445 ( -3.117 -1.402 1.615) 3.781 5.637 ( 2.503 0.535 0.093) 2.561 5.799 ( 1.367 -7.500 -0.052) 7.624 6.101 ( 2.739 3.775 -3.043) 5.569 6.262 ( 0.745 -4.407 -0.183) 4.473 6.440 ( -1.284 1.813 -0.101) 2.224 6.540 ( -3.220 -3.543 -1.925) 5.160 8.857 ( -1.924 5.912 3.087) 6.941 8.940 ( -2.897 1.796 3.689) 5.023 9.314 ( -2.457 -0.469 -2.012) 3.210 9.335 ( -1.684 -1.483 0.567) 2.314 10.837 ( 1.582 4.557 -4.795) 6.801 11.029 ( 3.446 -2.960 -5.443) 7.090 11.398 ( 5.510 3.000 2.132) 6.626 11.428 ( -1.005 5.543 1.393) 5.804 11.504 ( -4.390 -1.387 -2.184) 5.096 11.710 ( -6.395 -6.248 4.763) 10.130 22.348 ( 0.784 2.988 -5.153) 6.008 22.372 ( 1.930 0.994 0.441) 2.216 22.472 ( -1.292 -2.393 0.658) 2.797 22.531 ( 0.124 -5.177 -0.407) 5.194 22.869 ( 1.585 2.924 0.929) 3.453 22.916 ( 0.113 -0.297 -0.204) 0.378 23.060 ( 0.845 5.711 3.100) 6.553 23.342 ( 0.086 -5.783 3.217) 6.618 ======================= Grid point 113 (58/130) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 3.313 -6.064 7.303) 10.054 0.823 ( 3.313 6.064 7.303) 10.054 1.372 ( -0.298 -4.908 4.178) 6.452 1.372 ( -0.298 4.908 4.178) 6.452 1.583 ( -3.027 -0.562 -0.533) 3.124 1.583 ( -3.027 0.562 -0.533) 3.124 1.760 ( 1.467 -3.106 -3.296) 4.761 1.760 ( 1.467 3.106 -3.296) 4.761 1.917 ( -2.408 -5.587 -2.630) 6.627 1.917 ( -2.408 5.587 -2.630) 6.627 2.253 ( 1.940 -3.569 3.284) 5.224 2.253 ( 1.940 3.569 3.284) 5.224 2.518 ( 0.275 -1.287 2.480) 2.808 2.518 ( 0.275 1.287 2.480) 2.808 2.993 ( -1.399 -0.865 -2.367) 2.882 2.993 ( -1.399 0.865 -2.367) 2.882 3.477 ( -0.872 -4.436 -0.609) 4.561 3.477 ( -0.872 4.436 -0.609) 4.561 3.934 ( 2.398 -1.742 3.537) 4.615 3.934 ( 2.398 1.742 3.537) 4.615 4.192 ( -1.853 -2.898 -1.210) 3.647 4.192 ( -1.853 2.898 -1.210) 3.647 4.401 ( 1.476 -2.888 2.816) 4.295 4.401 ( 1.476 2.888 2.816) 4.295 5.704 ( 0.293 -3.505 0.063) 3.518 5.704 ( 0.293 3.505 0.063) 3.518 6.184 ( -0.720 -4.774 -2.953) 5.659 6.184 ( -0.720 4.774 -2.953) 5.659 6.461 ( 0.694 -1.756 0.103) 1.891 6.461 ( 0.694 1.756 0.103) 1.891 8.886 ( -2.314 -1.516 2.190) 3.528 8.886 ( -2.314 1.516 2.190) 3.528 9.301 ( 0.847 -1.523 0.324) 1.772 9.301 ( 0.847 1.523 0.324) 1.772 10.993 ( 2.815 -6.053 -5.772) 8.825 10.993 ( 2.815 6.053 -5.772) 8.825 11.397 ( -5.614 -2.173 -0.521) 6.043 11.397 ( -5.614 2.173 -0.521) 6.043 11.584 ( 4.088 -6.008 4.439) 8.516 11.584 ( 4.088 6.008 4.439) 8.516 22.399 ( -2.417 -3.683 -2.289) 4.964 22.399 ( -2.417 3.683 -2.289) 4.964 22.428 ( 1.409 -1.715 -1.338) 2.591 22.428 ( 1.409 1.715 -1.338) 2.591 22.908 ( 0.304 -0.551 -0.337) 0.713 22.908 ( 0.304 0.551 -0.337) 0.713 23.231 ( 0.010 -7.658 4.767) 9.021 23.231 ( 0.010 7.658 4.767) 9.021 ======================= Grid point 115 (59/130) ======================= q-point: ( 0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 12.085 -3.463 4.856) 13.477 1.037 ( 12.085 3.463 4.856) 13.477 1.418 ( 4.055 -5.621 4.898) 8.487 1.418 ( 4.055 5.621 4.898) 8.487 1.506 ( -2.135 -0.972 -1.894) 3.015 1.506 ( -2.135 0.972 -1.894) 3.015 1.827 ( 4.070 -2.606 -2.059) 5.253 1.827 ( 4.070 2.606 -2.059) 5.253 1.888 ( 0.147 -7.885 -2.641) 8.316 1.888 ( 0.147 7.885 -2.641) 8.316 2.266 ( -0.813 -2.834 3.675) 4.711 2.266 ( -0.813 2.834 3.675) 4.711 2.570 ( 4.505 -2.468 2.692) 5.800 2.570 ( 4.505 2.468 2.692) 5.800 2.987 ( 0.614 -1.379 -2.838) 3.214 2.987 ( 0.614 1.379 -2.838) 3.214 3.403 ( -5.433 -4.702 0.460) 7.200 3.403 ( -5.433 4.702 0.460) 7.200 3.909 ( -4.359 -1.970 2.915) 5.602 3.909 ( -4.359 1.970 2.915) 5.602 4.189 ( 0.507 -2.961 -0.308) 3.020 4.189 ( 0.507 2.961 -0.308) 3.020 4.444 ( 2.780 -1.911 1.686) 3.772 4.444 ( 2.780 1.911 1.686) 3.772 5.687 ( -1.675 -3.834 0.171) 4.187 5.687 ( -1.675 3.834 0.171) 4.187 6.148 ( -2.102 -5.884 -2.076) 6.585 6.148 ( -2.102 5.884 -2.076) 6.585 6.508 ( 3.055 -2.652 -0.497) 4.076 6.508 ( 3.055 2.652 -0.497) 4.076 8.861 ( -0.227 -1.359 1.172) 1.808 8.861 ( -0.227 1.359 1.172) 1.808 9.344 ( 3.167 -1.985 0.122) 3.740 9.344 ( 3.167 1.985 0.122) 3.740 11.028 ( 0.543 -7.104 -3.629) 7.996 11.028 ( 0.543 7.104 -3.629) 7.996 11.307 ( -2.566 -2.549 -1.247) 3.826 11.307 ( -2.566 2.549 -1.247) 3.826 11.675 ( 4.178 -8.331 3.961) 10.127 11.675 ( 4.178 8.331 3.961) 10.127 22.338 ( -2.873 -5.654 -3.322) 7.159 22.338 ( -2.873 5.654 -3.322) 7.159 22.458 ( 1.125 -1.874 0.698) 2.295 22.458 ( 1.125 1.874 0.698) 2.295 22.913 ( 0.145 -0.227 -0.163) 0.315 22.913 ( 0.145 0.227 -0.163) 0.315 23.216 ( -1.465 -8.993 3.498) 9.760 23.216 ( -1.465 8.993 3.498) 9.760 ======================= Grid point 117 (60/130) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.128 -0.764 -0.299) 1.395 1.173 ( 1.128 0.764 -0.299) 1.395 1.474 ( 2.920 -2.536 -1.436) 4.125 1.474 ( 2.920 2.536 -1.436) 4.125 1.589 ( 6.558 -4.118 4.709) 9.063 1.589 ( 6.558 4.118 4.709) 9.063 1.851 ( -1.230 -8.067 -0.897) 8.209 1.851 ( -1.230 8.067 -0.897) 8.209 1.974 ( 6.298 -0.712 -2.069) 6.667 1.974 ( 6.298 0.712 -2.069) 6.667 2.250 ( -0.012 -2.688 5.838) 6.427 2.250 ( -0.012 2.688 5.838) 6.427 2.699 ( 7.036 -3.721 2.220) 8.263 2.699 ( 7.036 3.721 2.220) 8.263 2.996 ( 0.229 -1.849 -2.015) 2.744 2.996 ( 0.229 1.849 -2.015) 2.744 3.291 ( -4.548 -4.592 1.686) 6.679 3.291 ( -4.548 4.592 1.686) 6.679 3.801 ( -5.678 -1.767 1.575) 6.151 3.801 ( -5.678 1.767 1.575) 6.151 4.178 ( -1.358 -5.120 1.194) 5.429 4.178 ( -1.358 5.120 1.194) 5.429 4.518 ( 3.889 -4.834 -1.118) 6.305 4.518 ( 3.889 4.834 -1.118) 6.305 5.649 ( -1.873 -4.122 0.032) 4.528 5.649 ( -1.873 4.122 0.032) 4.528 6.109 ( -1.390 -4.945 -0.593) 5.171 6.109 ( -1.390 4.945 -0.593) 5.171 6.553 ( 0.925 -3.426 -0.908) 3.663 6.553 ( 0.925 3.426 -0.908) 3.663 8.873 ( 1.182 -1.342 1.141) 2.122 8.873 ( 1.182 1.342 1.141) 2.122 9.425 ( 4.378 -1.986 -1.333) 4.989 9.425 ( 4.378 1.986 -1.333) 4.989 11.009 ( -1.784 -6.296 -0.498) 6.563 11.009 ( -1.784 6.296 -0.498) 6.563 11.283 ( -0.169 -2.945 -1.946) 3.534 11.283 ( -0.169 2.945 -1.946) 3.534 11.762 ( 3.991 -8.117 2.458) 9.374 11.762 ( 3.991 8.117 2.458) 9.374 22.283 ( -2.091 -5.760 -2.437) 6.594 22.283 ( -2.091 5.760 -2.437) 6.594 22.463 ( -0.943 -3.580 2.949) 4.733 22.463 ( -0.943 3.580 2.949) 4.733 22.910 ( -0.397 -0.626 0.322) 0.809 22.910 ( -0.397 0.626 0.322) 0.809 23.196 ( -0.246 -9.918 0.382) 9.929 23.196 ( -0.246 9.918 0.382) 9.929 ======================= Grid point 119 (61/130) ======================= q-point: ( 0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.325 -2.638 -0.278) 2.672 1.169 ( -0.325 2.638 -0.278) 2.672 1.546 ( 3.541 -2.541 -2.337) 4.946 1.546 ( 3.541 2.541 -2.337) 4.946 1.698 ( 3.435 -4.437 1.730) 5.872 1.698 ( 3.435 4.437 1.730) 5.872 1.813 ( -1.753 -6.465 -0.268) 6.704 1.813 ( -1.753 6.465 -0.268) 6.704 2.022 ( -1.286 -2.209 -1.546) 2.987 2.022 ( -1.286 2.209 -1.546) 2.987 2.312 ( 4.208 -2.708 7.625) 9.120 2.312 ( 4.208 2.708 7.625) 9.120 2.809 ( 2.513 -3.006 2.810) 4.821 2.809 ( 2.513 3.006 2.810) 4.821 2.984 ( -1.639 -3.264 0.840) 3.748 2.984 ( -1.639 3.264 0.840) 3.748 3.267 ( 2.614 -2.546 1.191) 3.839 3.267 ( 2.614 2.546 1.191) 3.839 3.696 ( -4.202 -1.403 -0.621) 4.473 3.696 ( -4.202 1.403 -0.621) 4.473 4.155 ( -0.706 -5.490 2.271) 5.983 4.155 ( -0.706 5.490 2.271) 5.983 4.582 ( 2.156 -6.629 -3.284) 7.705 4.582 ( 2.156 6.629 -3.284) 7.705 5.614 ( -1.368 -4.277 -0.244) 4.497 5.614 ( -1.368 4.277 -0.244) 4.497 6.094 ( -0.031 -4.111 0.675) 4.166 6.094 ( -0.031 4.111 0.675) 4.166 6.545 ( -1.257 -2.784 -0.939) 3.195 6.545 ( -1.257 2.784 -0.939) 3.195 8.904 ( 1.500 -1.539 1.900) 2.868 8.904 ( 1.500 1.539 1.900) 2.868 9.506 ( 3.268 -2.094 -3.142) 4.994 9.506 ( 3.268 2.094 -3.142) 4.994 10.967 ( -2.077 -4.176 0.786) 4.730 10.967 ( -2.077 4.176 0.786) 4.730 11.280 ( -0.013 -3.240 -1.010) 3.394 11.280 ( -0.013 3.240 -1.010) 3.394 11.839 ( 2.961 -5.328 0.807) 6.149 11.839 ( 2.961 5.328 0.807) 6.149 22.256 ( -0.142 -5.123 -0.780) 5.184 22.256 ( -0.142 5.123 -0.780) 5.184 22.429 ( -2.380 -4.466 4.453) 6.740 22.429 ( -2.380 4.466 4.453) 6.740 22.901 ( -0.421 -1.387 0.214) 1.465 22.901 ( -0.421 1.387 0.214) 1.465 23.204 ( 0.734 -9.717 -1.887) 9.926 23.204 ( 0.734 9.717 -1.887) 9.926 ======================= Grid point 121 (62/130) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.259 -2.799 0.282) 2.825 1.170 ( 0.259 2.799 0.282) 2.825 1.593 ( 0.324 -1.351 -2.673) 3.012 1.593 ( 0.324 1.351 -2.673) 3.012 1.712 ( -1.390 -2.867 0.297) 3.200 1.712 ( -1.390 2.867 0.297) 3.200 1.814 ( 1.571 -3.237 0.032) 3.599 1.814 ( 1.571 3.237 0.032) 3.599 1.988 ( -0.532 -2.807 -0.970) 3.017 1.988 ( -0.532 2.807 -0.970) 3.017 2.369 ( -0.154 -1.093 7.468) 7.549 2.369 ( -0.154 1.093 7.468) 7.549 2.831 ( 0.111 -2.638 3.750) 4.587 2.831 ( 0.111 2.638 3.750) 4.587 2.949 ( -0.838 -2.191 1.429) 2.747 2.949 ( -0.838 2.191 1.429) 2.747 3.325 ( 0.492 -1.046 1.570) 1.950 3.325 ( 0.492 1.046 1.570) 1.950 3.639 ( -0.816 -1.748 -2.341) 3.034 3.639 ( -0.816 1.748 -2.341) 3.034 4.159 ( 0.865 -5.615 3.036) 6.441 4.159 ( 0.865 5.615 3.036) 6.441 4.596 ( -0.504 -6.907 -4.297) 8.150 4.596 ( -0.504 6.907 -4.297) 8.150 5.597 ( -0.123 -4.513 -0.437) 4.536 5.597 ( -0.123 4.513 -0.437) 4.536 6.102 ( 0.559 -4.000 1.444) 4.290 6.102 ( 0.559 4.000 1.444) 4.290 6.520 ( -0.690 -1.547 -1.263) 2.113 6.520 ( -0.690 1.547 -1.263) 2.113 8.935 ( 1.239 -1.822 2.920) 3.658 8.935 ( 1.239 1.822 2.920) 3.658 9.538 ( -0.113 -2.066 -4.174) 4.658 9.538 ( -0.113 2.066 -4.174) 4.658 10.929 ( -1.649 -2.528 0.507) 3.061 10.929 ( -1.649 2.528 0.507) 3.061 11.286 ( 0.782 -4.307 -0.227) 4.383 11.286 ( 0.782 4.307 -0.227) 4.383 11.872 ( -0.075 -3.735 0.197) 3.741 11.872 ( -0.075 3.735 0.197) 3.741 22.278 ( 2.137 -3.686 0.487) 4.289 22.278 ( 2.137 3.686 0.487) 4.289 22.390 ( -1.338 -4.726 4.763) 6.842 22.390 ( -1.338 4.726 4.763) 6.842 22.895 ( -0.179 -1.776 -0.036) 1.785 22.895 ( -0.179 1.776 -0.036) 1.785 23.210 ( -0.116 -9.285 -2.614) 9.647 23.210 ( -0.116 9.285 -2.614) 9.647 ======================= Grid point 123 (63/130) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.585 -2.650 -0.212) 2.722 1.170 ( -0.585 2.650 -0.212) 2.722 1.534 ( -5.007 -4.472 -2.744) 7.252 1.534 ( -5.007 4.472 -2.744) 7.252 1.681 ( -2.089 -1.810 1.348) 3.075 1.681 ( -2.089 1.810 1.348) 3.075 1.859 ( 2.851 -3.020 0.930) 4.256 1.859 ( 2.851 3.020 0.930) 4.256 2.012 ( 2.283 -2.961 -2.036) 4.257 2.012 ( 2.283 2.961 -2.036) 4.257 2.311 ( -5.879 -2.665 7.740) 10.078 2.311 ( -5.879 2.665 7.740) 10.078 2.793 ( -5.086 -3.566 2.205) 6.592 2.793 ( -5.086 3.566 2.205) 6.592 3.002 ( 6.495 -3.709 1.338) 7.598 3.002 ( 6.495 3.709 1.338) 7.598 3.276 ( -4.134 -1.252 1.455) 4.558 3.276 ( -4.134 1.252 1.455) 4.558 3.658 ( 2.430 -2.545 -1.211) 3.721 3.658 ( 2.430 2.545 -1.211) 3.721 4.189 ( 1.645 -6.539 2.901) 7.340 4.189 ( 1.645 6.539 2.901) 7.340 4.555 ( -2.998 -5.998 -4.030) 7.823 4.555 ( -2.998 5.998 -4.030) 7.823 5.609 ( 1.190 -4.720 -0.375) 4.882 5.609 ( 1.190 4.720 -0.375) 4.882 6.118 ( 0.866 -4.340 1.372) 4.633 6.118 ( 0.866 4.340 1.372) 4.633 6.518 ( 0.385 -1.970 -1.827) 2.715 6.518 ( 0.385 1.970 -1.827) 2.715 8.959 ( 0.760 -2.045 3.913) 4.481 8.959 ( 0.760 2.045 3.913) 4.481 9.492 ( -3.788 -1.703 -3.975) 5.749 9.492 ( -3.788 1.703 -3.975) 5.749 10.905 ( -0.547 -2.828 -1.093) 3.081 10.905 ( -0.547 2.828 -1.093) 3.081 11.316 ( 2.151 -4.883 0.198) 5.339 11.316 ( 2.151 4.883 0.198) 5.339 11.830 ( -3.935 -4.852 0.472) 6.265 11.830 ( -3.935 4.852 0.472) 6.265 22.326 ( 1.895 -1.510 -0.077) 2.424 22.326 ( 1.895 1.510 -0.077) 2.424 22.398 ( 1.886 -6.417 4.914) 8.300 22.398 ( 1.886 6.417 4.914) 8.300 22.893 ( 0.016 -1.945 0.021) 1.945 22.893 ( 0.016 1.945 0.021) 1.945 23.196 ( -0.890 -8.964 -2.171) 9.266 23.196 ( -0.890 8.964 -2.171) 9.266 ======================= Grid point 125 (64/130) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -5.663 -2.060 -1.570) 6.227 1.117 ( -5.663 2.060 -1.570) 6.227 1.434 ( -3.156 -3.513 -0.821) 4.793 1.434 ( -3.156 3.513 -0.821) 4.793 1.628 ( -2.873 -2.624 3.150) 5.006 1.628 ( -2.873 2.624 3.150) 5.006 1.910 ( 0.707 -3.817 1.231) 4.073 1.910 ( 0.707 3.817 1.231) 4.073 2.033 ( -1.936 -4.483 -2.911) 5.685 2.033 ( -1.936 4.483 -2.911) 5.685 2.182 ( -4.248 -2.376 6.539) 8.151 2.182 ( -4.248 2.376 6.539) 8.151 2.654 ( -6.985 -2.421 0.969) 7.456 2.654 ( -6.985 2.421 0.969) 7.456 3.135 ( -0.562 -4.113 1.170) 4.313 3.135 ( -0.562 4.113 1.170) 4.313 3.240 ( 6.301 -1.930 0.189) 6.593 3.240 ( 6.301 1.930 0.189) 6.593 3.730 ( 4.484 -2.585 0.791) 5.236 3.730 ( 4.484 2.585 0.791) 5.236 4.227 ( 1.619 -6.952 1.762) 7.352 4.227 ( 1.619 6.952 1.762) 7.352 4.471 ( -4.544 -4.647 -2.121) 6.837 4.471 ( -4.544 4.647 -2.121) 6.837 5.640 ( 1.744 -4.526 -0.186) 4.854 5.640 ( 1.744 4.526 -0.186) 4.854 6.144 ( 1.586 -4.516 0.409) 4.804 6.144 ( 1.586 4.516 0.409) 4.804 6.516 ( -0.745 -2.743 -2.048) 3.504 6.516 ( -0.745 2.743 -2.048) 3.504 8.968 ( -0.472 -2.281 4.469) 5.040 8.968 ( -0.472 2.281 4.469) 5.040 9.393 ( -4.859 -1.149 -2.798) 5.723 9.393 ( -4.859 1.149 -2.798) 5.723 10.907 ( 0.986 -4.102 -3.291) 5.351 10.907 ( 0.986 4.102 -3.291) 5.351 11.375 ( 3.447 -4.115 0.376) 5.381 11.375 ( 3.447 4.115 0.376) 5.381 11.718 ( -6.692 -5.929 1.306) 9.036 11.718 ( -6.692 5.929 1.306) 9.036 22.358 ( 1.471 -1.169 -0.506) 1.947 22.358 ( 1.471 1.169 -0.506) 1.947 22.448 ( 1.622 -4.134 2.521) 5.107 22.448 ( 1.622 4.134 2.521) 5.107 22.896 ( 0.246 -1.602 0.239) 1.638 22.896 ( 0.246 1.602 0.239) 1.638 23.184 ( 0.240 -8.317 -0.040) 8.321 23.184 ( 0.240 8.317 -0.040) 8.321 ======================= Grid point 127 (65/130) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -10.649 -5.145 1.937) 11.985 0.928 ( -10.649 5.145 1.937) 11.985 1.399 ( -1.579 -2.325 1.937) 3.414 1.399 ( -1.579 2.325 1.937) 3.414 1.594 ( -0.007 -2.299 2.765) 3.596 1.594 ( -0.007 2.299 2.765) 3.596 1.826 ( -6.594 -1.024 -1.780) 6.906 1.826 ( -6.594 1.024 -1.780) 6.906 1.973 ( -2.350 -2.015 -0.940) 3.235 1.973 ( -2.350 2.015 -0.940) 3.235 2.194 ( 2.842 -3.602 2.513) 5.231 2.194 ( 2.842 3.602 2.513) 5.231 2.547 ( -3.238 -0.959 1.896) 3.872 2.547 ( -3.238 0.959 1.896) 3.872 3.055 ( -4.190 -0.398 -1.373) 4.428 3.055 ( -4.190 0.398 -1.373) 4.428 3.416 ( 6.846 -5.109 0.030) 8.542 3.416 ( 6.846 5.109 0.030) 8.542 3.837 ( 5.488 -1.989 2.524) 6.360 3.837 ( 5.488 1.989 2.524) 6.360 4.240 ( -1.130 -5.266 -0.745) 5.437 4.240 ( -1.130 5.266 -0.745) 5.437 4.393 ( -1.903 -3.890 1.620) 4.624 4.393 ( -1.903 3.890 1.620) 4.624 5.678 ( 1.858 -3.888 -0.084) 4.309 5.678 ( 1.858 3.888 -0.084) 4.309 6.177 ( 1.360 -3.865 -1.371) 4.321 6.177 ( 1.360 3.865 -1.371) 4.321 6.482 ( -2.007 -2.379 -1.145) 3.316 6.482 ( -2.007 2.379 -1.145) 3.316 8.939 ( -2.572 -2.019 3.718) 4.951 8.939 ( -2.572 2.019 3.718) 4.951 9.314 ( -2.227 -0.559 -0.961) 2.490 9.314 ( -2.227 0.559 -0.961) 2.490 10.940 ( 2.480 -5.159 -5.193) 7.729 10.940 ( 2.480 5.159 -5.193) 7.729 11.450 ( 2.934 -2.075 -0.414) 3.618 11.450 ( 2.934 2.075 -0.414) 3.618 11.577 ( -5.984 -6.735 3.387) 9.625 11.577 ( -5.984 6.735 3.387) 9.625 22.389 ( 1.613 -0.226 -0.710) 1.776 22.389 ( 1.613 0.226 -0.710) 1.776 22.451 ( -1.321 -1.697 -1.085) 2.409 22.451 ( -1.321 1.697 -1.085) 2.409 22.902 ( 0.276 -0.991 0.005) 1.028 22.902 ( 0.276 0.991 0.005) 1.028 23.208 ( 1.515 -7.432 3.227) 8.243 23.208 ( 1.515 7.432 3.227) 8.243 ======================= Grid point 153 (66/130) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -4.494 0.000 15.152) 15.804 0.797 ( -2.184 0.000 17.655) 17.790 1.171 ( 5.781 0.000 -5.566) 8.026 1.211 ( 1.385 0.000 4.929) 5.120 1.404 ( 9.217 0.000 25.361) 26.984 1.455 ( 2.474 0.000 -1.350) 2.818 1.580 ( 0.118 0.000 -0.898) 0.906 1.589 ( -4.220 0.000 -6.839) 8.036 1.744 ( -1.878 0.000 -3.878) 4.309 1.889 ( -5.535 0.000 -1.324) 5.691 2.174 ( 0.320 0.000 -2.230) 2.253 2.212 ( 1.829 0.000 -3.268) 3.745 2.587 ( -3.307 0.000 2.173) 3.957 2.652 ( 0.626 0.000 5.711) 5.745 2.746 ( -0.439 0.000 0.530) 0.688 2.749 ( 3.001 0.000 1.238) 3.246 3.053 ( 0.672 0.000 -3.071) 3.144 3.088 ( -2.298 0.000 -13.134) 13.334 3.185 ( -0.432 0.000 0.093) 0.442 3.432 ( 4.121 0.000 6.117) 7.375 4.015 ( -3.686 0.000 -5.316) 6.469 4.160 ( -3.743 0.000 2.168) 4.326 4.425 ( 5.566 0.000 1.830) 5.859 4.498 ( -3.164 0.000 2.326) 3.927 5.633 ( 0.197 0.000 0.346) 0.398 5.710 ( 0.156 0.000 0.529) 0.551 6.157 ( -0.331 0.000 -0.554) 0.645 6.343 ( 2.743 0.000 0.023) 2.743 6.352 ( 1.482 0.000 -0.253) 1.504 7.086 ( 3.552 0.000 -1.585) 3.890 8.514 ( -0.106 0.000 0.741) 0.748 8.656 ( 0.170 0.000 -0.821) 0.839 9.250 ( -1.421 0.000 -1.802) 2.295 9.480 ( 1.273 0.000 1.569) 2.021 10.741 ( 0.770 0.000 1.420) 1.615 10.893 ( -0.710 0.000 -1.240) 1.429 11.331 ( -2.252 0.000 -1.998) 3.010 11.380 ( -3.088 0.000 0.638) 3.153 11.506 ( -0.004 0.000 -1.116) 1.116 12.096 ( 4.031 0.000 1.274) 4.227 21.862 ( -0.003 0.000 -0.111) 0.111 22.348 ( 0.016 0.000 0.139) 0.140 22.586 ( -2.296 0.000 1.496) 2.740 22.646 ( 3.766 0.000 -1.035) 3.906 22.771 ( -1.426 0.000 1.688) 2.210 22.907 ( 0.721 0.000 -0.037) 0.722 23.116 ( -2.038 0.000 -1.308) 2.421 23.705 ( 0.403 0.000 0.292) 0.498 ======================= Grid point 154 (67/130) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -3.788 0.000 12.725) 13.277 0.830 ( 4.684 0.000 13.204) 14.010 1.243 ( 0.992 0.000 -2.268) 2.476 1.275 ( 0.954 0.000 -0.386) 1.029 1.564 ( -1.139 0.000 -3.654) 3.828 1.598 ( 11.664 0.000 8.270) 14.298 1.620 ( 5.697 0.000 -0.707) 5.740 1.685 ( -3.303 0.000 -2.365) 4.062 1.715 ( 10.223 0.000 7.795) 12.856 1.818 ( 3.904 0.000 -2.301) 4.532 2.179 ( 0.679 0.000 -0.129) 0.691 2.316 ( 8.004 0.000 -3.928) 8.916 2.496 ( -3.556 0.000 2.458) 4.322 2.670 ( 0.582 0.000 5.284) 5.316 2.736 ( -0.451 0.000 0.333) 0.561 2.836 ( 2.993 0.000 -1.963) 3.579 3.049 ( -0.912 0.000 -2.816) 2.960 3.113 ( 7.339 0.000 -6.220) 9.621 3.163 ( -1.530 0.000 -0.112) 1.534 3.512 ( 2.534 0.000 2.615) 3.642 3.945 ( -2.110 0.000 -2.183) 3.036 4.090 ( -3.463 0.000 3.910) 5.223 4.340 ( -8.269 0.000 2.685) 8.694 4.573 ( 6.512 0.000 1.094) 6.603 5.643 ( 0.714 0.000 0.145) 0.728 5.709 ( -0.283 0.000 0.212) 0.353 6.147 ( -0.574 0.000 -0.215) 0.613 6.337 ( -0.930 0.000 -0.127) 0.938 6.479 ( 5.843 0.000 -3.462) 6.791 7.066 ( -5.456 0.000 -5.576) 7.801 8.512 ( -0.084 0.000 0.739) 0.744 8.663 ( 0.522 0.000 -0.894) 1.035 9.266 ( 2.501 0.000 -0.565) 2.564 9.571 ( 7.325 0.000 -0.294) 7.331 10.764 ( 1.309 0.000 0.932) 1.607 10.871 ( -1.222 0.000 -0.818) 1.471 11.090 ( -13.738 0.000 4.776) 14.544 11.396 ( -4.876 0.000 -2.118) 5.316 11.499 ( 7.485 0.000 -0.153) 7.487 12.220 ( 3.833 0.000 -0.916) 3.941 21.864 ( 0.183 0.000 -0.105) 0.211 22.350 ( 0.142 0.000 0.119) 0.185 22.499 ( -5.558 0.000 1.347) 5.719 22.688 ( -1.079 0.000 -1.086) 1.531 22.793 ( 4.230 0.000 3.453) 5.460 22.941 ( 2.243 0.000 -0.368) 2.273 23.045 ( -3.779 0.000 -0.251) 3.787 23.724 ( 1.113 0.000 -0.837) 1.393 ======================= Grid point 155 (68/130) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -2.884 0.000 8.869) 9.326 1.011 ( 11.043 0.000 5.106) 12.166 1.193 ( -5.714 0.000 3.131) 6.515 1.273 ( -0.475 0.000 -1.816) 1.877 1.533 ( -1.883 0.000 -4.783) 5.140 1.594 ( -1.711 0.000 -5.986) 6.226 1.623 ( -1.711 0.000 -4.229) 4.562 1.730 ( 0.499 0.000 -0.197) 0.537 1.902 ( 3.536 0.000 1.610) 3.885 2.025 ( 7.865 0.000 4.714) 9.170 2.274 ( 9.215 0.000 6.900) 11.511 2.407 ( 1.261 0.000 5.046) 5.202 2.585 ( 11.235 0.000 -3.651) 11.813 2.680 ( -0.134 0.000 4.143) 4.146 2.736 ( 0.617 0.000 0.628) 0.880 2.858 ( 1.004 0.000 -3.825) 3.955 3.012 ( -2.289 0.000 -1.646) 2.819 3.132 ( -1.145 0.000 -0.643) 1.314 3.365 ( 14.937 0.000 -0.006) 14.937 3.515 ( -2.244 0.000 -4.538) 5.062 3.948 ( 2.256 0.000 4.224) 4.789 4.028 ( -2.329 0.000 3.351) 4.081 4.198 ( -5.236 0.000 2.366) 5.746 4.719 ( 7.310 0.000 0.802) 7.354 5.659 ( 0.730 0.000 -0.152) 0.745 5.698 ( -0.831 0.000 -0.149) 0.844 6.136 ( -0.438 0.000 0.254) 0.506 6.314 ( -1.137 0.000 0.052) 1.138 6.529 ( -0.676 0.000 -2.120) 2.225 6.877 ( -11.082 0.000 -6.729) 12.965 8.512 ( 0.067 0.000 0.731) 0.734 8.673 ( 0.499 0.000 -0.994) 1.112 9.323 ( 2.620 0.000 0.164) 2.625 9.741 ( 7.691 0.000 -0.099) 7.692 10.791 ( 1.078 0.000 -0.469) 1.175 10.845 ( -1.039 0.000 0.499) 1.153 10.886 ( -5.225 0.000 2.575) 5.825 11.283 ( -5.373 0.000 -3.551) 6.441 11.703 ( 11.145 0.000 -0.283) 11.148 12.224 ( -2.789 0.000 1.897) 3.373 21.869 ( 0.265 0.000 -0.098) 0.282 22.353 ( 0.183 0.000 0.097) 0.207 22.395 ( -4.134 0.000 1.554) 4.417 22.622 ( -4.574 0.000 -1.033) 4.689 22.882 ( 2.735 0.000 1.901) 3.331 22.962 ( -0.780 0.000 1.601) 1.781 23.035 ( 3.903 0.000 1.526) 4.191 23.734 ( -0.176 0.000 -2.547) 2.553 ======================= Grid point 156 (69/130) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.455 0.000 5.111) 5.131 1.040 ( -8.346 0.000 5.672) 10.091 1.222 ( 6.279 0.000 -1.653) 6.493 1.268 ( 1.345 0.000 0.519) 1.441 1.469 ( -3.703 0.000 -0.139) 3.706 1.606 ( 4.262 0.000 -8.079) 9.134 1.618 ( 1.398 0.000 -9.019) 9.127 1.689 ( -5.219 0.000 1.688) 5.485 1.877 ( -2.479 0.000 0.972) 2.662 2.124 ( 2.268 0.000 0.485) 2.319 2.380 ( 1.818 0.000 2.417) 3.025 2.480 ( 1.809 0.000 5.596) 5.881 2.675 ( -0.578 0.000 3.178) 3.230 2.760 ( 1.398 0.000 0.847) 1.635 2.805 ( 7.637 0.000 -0.317) 7.644 2.935 ( 7.177 0.000 2.265) 7.526 2.960 ( -2.503 0.000 -0.595) 2.572 3.121 ( 0.199 0.000 -0.761) 0.786 3.434 ( -4.529 0.000 -6.864) 8.223 3.631 ( 8.619 0.000 1.075) 8.686 4.018 ( 0.931 0.000 2.344) 2.522 4.022 ( 3.799 0.000 5.880) 7.001 4.130 ( -1.299 0.000 1.186) 1.759 4.855 ( 5.138 0.000 2.037) 5.527 5.670 ( 0.280 0.000 -0.379) 0.471 5.676 ( -1.112 0.000 -0.221) 1.134 6.131 ( 0.003 0.000 0.591) 0.591 6.295 ( -0.732 0.000 0.042) 0.733 6.478 ( -2.894 0.000 -1.153) 3.115 6.644 ( -9.866 0.000 -6.808) 11.987 8.515 ( 0.119 0.000 0.751) 0.760 8.680 ( 0.244 0.000 -1.090) 1.117 9.367 ( 1.572 0.000 0.182) 1.583 9.848 ( 2.242 0.000 3.648) 4.282 10.791 ( -0.882 0.000 -1.664) 1.883 10.845 ( 0.854 0.000 1.641) 1.850 10.879 ( 3.661 0.000 -2.771) 4.591 11.171 ( -4.973 0.000 -3.680) 6.186 11.927 ( 9.766 0.000 -2.099) 9.989 12.137 ( -5.048 0.000 4.730) 6.918 21.874 ( 0.193 0.000 -0.095) 0.215 22.343 ( -0.834 0.000 1.013) 1.312 22.357 ( 0.114 0.000 0.085) 0.142 22.519 ( -4.697 0.000 -1.138) 4.833 22.915 ( 1.100 0.000 0.580) 1.244 22.960 ( 0.204 0.000 1.099) 1.118 23.126 ( 3.355 0.000 5.310) 6.281 23.717 ( -0.986 0.000 -3.623) 3.755 ======================= Grid point 157 (70/130) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 2.575 0.000 2.694) 3.727 0.920 ( -2.483 0.000 6.975) 7.404 1.236 ( -1.019 0.000 -1.060) 1.470 1.335 ( 2.076 0.000 -1.573) 2.604 1.396 ( -2.863 0.000 0.794) 2.971 1.501 ( -11.841 0.000 1.264) 11.909 1.652 ( 2.508 0.000 -9.180) 9.517 1.745 ( 7.837 0.000 -6.243) 10.020 1.871 ( 1.742 0.000 1.131) 2.076 2.144 ( 0.079 0.000 0.064) 0.102 2.411 ( 0.149 0.000 3.035) 3.038 2.480 ( -0.175 0.000 1.867) 1.875 2.663 ( -0.851 0.000 3.248) 3.357 2.786 ( 0.783 0.000 0.442) 0.899 2.850 ( -2.788 0.000 0.345) 2.809 2.920 ( -0.950 0.000 0.002) 0.950 3.086 ( 4.775 0.000 3.335) 5.825 3.139 ( 1.455 0.000 -0.664) 1.599 3.335 ( -4.087 0.000 -5.187) 6.604 3.682 ( -3.338 0.000 2.710) 4.300 4.046 ( 1.306 0.000 2.808) 3.096 4.096 ( 2.757 0.000 4.044) 4.894 4.134 ( 0.447 0.000 -0.255) 0.515 4.914 ( 0.015 0.000 2.881) 2.881 5.658 ( -0.462 0.000 -0.002) 0.462 5.670 ( -0.254 0.000 -0.354) 0.436 6.136 ( 0.394 0.000 0.547) 0.674 6.280 ( -0.570 0.000 0.078) 0.575 6.455 ( 0.039 0.000 -2.948) 2.948 6.498 ( -1.899 0.000 -4.345) 4.742 8.517 ( 0.005 0.000 0.762) 0.762 8.681 ( -0.057 0.000 -1.102) 1.103 9.386 ( 0.297 0.000 0.122) 0.321 9.843 ( -2.933 0.000 6.214) 6.871 10.768 ( -1.079 0.000 -0.660) 1.265 10.867 ( 1.020 0.000 0.643) 1.205 10.972 ( 3.337 0.000 -6.099) 6.953 11.093 ( -0.698 0.000 -3.202) 3.277 11.968 ( -5.988 0.000 1.538) 6.182 12.155 ( 6.596 0.000 1.011) 6.673 21.876 ( 0.011 0.000 -0.097) 0.097 22.358 ( -0.026 0.000 0.090) 0.093 22.359 ( 1.996 0.000 0.344) 2.025 22.447 ( -1.654 0.000 -0.883) 1.874 22.935 ( 0.445 0.000 0.706) 0.834 22.969 ( 0.894 0.000 0.003) 0.894 23.157 ( -1.125 0.000 6.698) 6.792 23.698 ( -0.318 0.000 -3.695) 3.709 ======================= Grid point 158 (71/130) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 5.800 0.000 1.178) 5.919 0.924 ( -0.059 0.000 8.586) 8.586 1.191 ( -6.082 0.000 0.360) 6.092 1.257 ( -7.763 0.000 1.135) 7.845 1.356 ( -0.007 0.000 -0.446) 0.446 1.382 ( 2.084 0.000 -0.137) 2.089 1.699 ( 2.693 0.000 -8.234) 8.664 1.844 ( 1.588 0.000 -3.072) 3.458 1.959 ( 6.232 0.000 -2.108) 6.579 2.130 ( -1.714 0.000 0.781) 1.884 2.355 ( -5.407 0.000 4.671) 7.145 2.508 ( 0.814 0.000 4.434) 4.508 2.647 ( -0.934 0.000 3.932) 4.041 2.706 ( -9.887 0.000 -2.624) 10.230 2.784 ( -0.836 0.000 0.365) 0.912 2.931 ( 1.884 0.000 -0.051) 1.884 3.098 ( -3.743 0.000 -1.235) 3.941 3.167 ( 0.829 0.000 -1.945) 2.114 3.274 ( -1.093 0.000 -0.680) 1.287 3.529 ( -10.879 0.000 4.452) 11.755 4.070 ( 0.536 0.000 2.748) 2.800 4.137 ( 0.867 0.000 1.098) 1.399 4.147 ( 2.123 0.000 -0.529) 2.187 4.856 ( -5.791 0.000 2.492) 6.304 5.660 ( 0.567 0.000 0.313) 0.648 5.660 ( -0.601 0.000 -0.087) 0.607 6.147 ( 0.512 0.000 0.141) 0.531 6.287 ( 1.280 0.000 0.468) 1.363 6.427 ( -0.361 0.000 -3.306) 3.326 6.591 ( 7.797 0.000 -1.964) 8.041 8.517 ( -0.110 0.000 0.731) 0.739 8.676 ( -0.318 0.000 -0.999) 1.048 9.383 ( -0.495 0.000 0.055) 0.498 9.748 ( -6.426 0.000 6.240) 8.957 10.748 ( -0.842 0.000 0.258) 0.880 10.886 ( 0.780 0.000 -0.212) 0.808 10.966 ( -0.676 0.000 -4.165) 4.220 11.165 ( 5.356 0.000 -4.526) 7.012 11.826 ( -7.239 0.000 2.592) 7.689 12.266 ( 3.348 0.000 -0.832) 3.449 21.874 ( -0.175 0.000 -0.103) 0.203 22.356 ( -0.153 0.000 0.109) 0.188 22.399 ( 1.860 0.000 -0.695) 1.985 22.472 ( 3.784 0.000 0.303) 3.796 22.930 ( -0.764 0.000 0.321) 0.829 22.999 ( 1.691 0.000 -0.685) 1.824 23.096 ( -4.765 0.000 6.262) 7.869 23.698 ( 0.432 0.000 -2.645) 2.680 ======================= Grid point 159 (72/130) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 5.439 0.000 6.779) 8.692 0.903 ( -0.194 0.000 2.896) 2.903 0.988 ( -9.208 0.000 9.803) 13.450 1.222 ( 0.765 0.000 -4.650) 4.713 1.328 ( -3.149 0.000 3.547) 4.743 1.467 ( 5.015 0.000 -0.296) 5.024 1.743 ( 2.022 0.000 -7.143) 7.423 1.806 ( -6.152 0.000 -0.777) 6.201 2.031 ( -3.691 0.000 -0.967) 3.816 2.106 ( 2.851 0.000 -1.273) 3.122 2.201 ( -10.155 0.000 6.647) 12.137 2.380 ( -11.198 0.000 4.339) 12.010 2.601 ( 0.028 0.000 -3.428) 3.429 2.635 ( -0.478 0.000 4.868) 4.891 2.766 ( -0.826 0.000 0.643) 1.047 2.948 ( -9.443 0.000 -4.719) 10.556 2.982 ( 2.694 0.000 -1.116) 2.916 3.168 ( 0.072 0.000 -1.642) 1.644 3.292 ( 2.121 0.000 3.041) 3.708 3.304 ( -9.342 0.000 2.060) 9.566 4.105 ( 3.537 0.000 4.386) 5.634 4.134 ( -1.118 0.000 -2.006) 2.297 4.221 ( 4.081 0.000 -1.645) 4.400 4.698 ( -8.732 0.000 1.549) 8.869 5.647 ( -0.675 0.000 0.219) 0.709 5.678 ( 1.043 0.000 0.501) 1.157 6.156 ( 0.378 0.000 -0.341) 0.509 6.318 ( 1.385 0.000 0.064) 1.387 6.420 ( -1.223 0.000 -0.535) 1.335 6.771 ( 9.264 0.000 -0.574) 9.281 8.515 ( -0.092 0.000 0.692) 0.698 8.667 ( -0.451 0.000 -0.856) 0.968 9.367 ( -1.275 0.000 -0.855) 1.535 9.608 ( -6.917 0.000 4.742) 8.386 10.735 ( -0.498 0.000 0.999) 1.116 10.898 ( 0.445 0.000 -0.869) 0.976 11.010 ( 6.207 0.000 -0.959) 6.280 11.258 ( 3.878 0.000 -3.801) 5.430 11.681 ( -6.892 0.000 0.943) 6.956 12.277 ( -2.352 0.000 -0.708) 2.456 21.869 ( -0.255 0.000 -0.109) 0.278 22.352 ( -0.192 0.000 0.132) 0.233 22.458 ( 3.955 0.000 -0.685) 4.014 22.558 ( 3.607 0.000 1.200) 3.801 22.908 ( -1.731 0.000 0.455) 1.790 22.961 ( -5.392 0.000 3.297) 6.321 23.065 ( 2.387 0.000 -0.579) 2.456 23.705 ( 0.324 0.000 -1.374) 1.411 ======================= Grid point 160 (73/130) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -4.868 0.000 15.803) 16.535 0.863 ( -4.873 0.000 16.777) 17.470 1.027 ( 8.346 0.000 -6.153) 10.369 1.247 ( -0.186 0.000 -1.825) 1.834 1.257 ( -0.537 0.000 8.684) 8.701 1.552 ( 2.782 0.000 -0.226) 2.792 1.584 ( -12.916 0.000 9.685) 16.144 1.764 ( 0.351 0.000 -5.648) 5.659 1.825 ( -14.172 0.000 -7.080) 15.842 2.010 ( -6.785 0.000 0.860) 6.840 2.161 ( 1.512 0.000 -2.684) 3.081 2.234 ( -3.610 0.000 2.835) 4.590 2.605 ( 0.233 0.000 -0.232) 0.329 2.638 ( 0.245 0.000 5.586) 5.592 2.754 ( -0.424 0.000 0.691) 0.811 2.774 ( -5.387 0.000 -1.439) 5.576 3.029 ( 1.895 0.000 -2.512) 3.147 3.170 ( -4.282 0.000 -7.558) 8.686 3.179 ( 0.817 0.000 0.040) 0.818 3.350 ( 3.167 0.000 5.095) 5.999 4.089 ( -2.816 0.000 -4.521) 5.326 4.205 ( 2.334 0.000 3.811) 4.468 4.288 ( 4.300 0.000 0.380) 4.317 4.554 ( -4.067 0.000 1.153) 4.227 5.635 ( -0.396 0.000 0.381) 0.550 5.699 ( 0.847 0.000 0.532) 1.000 6.160 ( 0.064 0.000 -0.611) 0.614 6.337 ( -0.097 0.000 -0.359) 0.372 6.362 ( -3.012 0.000 1.496) 3.363 6.956 ( 8.197 0.000 1.056) 8.264 8.514 ( -0.047 0.000 0.703) 0.705 8.658 ( -0.291 0.000 -0.789) 0.841 9.315 ( -3.600 0.000 -2.413) 4.334 9.501 ( -3.293 0.000 2.987) 4.446 10.731 ( 0.060 0.000 1.420) 1.421 10.902 ( -0.070 0.000 -1.232) 1.234 11.225 ( 11.892 0.000 -1.140) 11.946 11.334 ( 5.493 0.000 0.184) 5.496 11.542 ( -6.475 0.000 -1.816) 6.725 12.169 ( -7.386 0.000 1.028) 7.457 21.864 ( -0.184 0.000 -0.113) 0.216 22.349 ( -0.121 0.000 0.144) 0.188 22.554 ( 5.057 0.000 -0.930) 5.142 22.602 ( 0.421 0.000 2.234) 2.274 22.827 ( -4.329 0.000 1.957) 4.750 22.909 ( -0.731 0.000 0.356) 0.813 23.116 ( 1.889 0.000 -1.788) 2.601 23.706 ( -0.165 0.000 -0.438) 0.468 ======================= Grid point 161 (74/130) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -7.772 3.194 11.247) 14.040 0.869 ( 6.781 6.520 15.886) 18.462 1.200 ( 1.093 -1.203 4.977) 5.236 1.229 ( 4.547 3.657 -3.196) 6.653 1.473 ( 6.677 2.917 0.522) 7.305 1.535 ( -4.503 7.600 10.392) 13.639 1.579 ( -1.259 2.718 1.205) 3.229 1.634 ( 1.075 2.807 -0.756) 3.099 1.832 ( -2.555 8.104 -1.731) 8.672 1.881 ( -3.501 -0.002 -1.790) 3.932 2.154 ( 0.662 -1.661 -1.754) 2.505 2.244 ( 2.745 3.284 -2.756) 5.091 2.544 ( -3.613 -2.231 2.248) 4.805 2.684 ( 1.637 -0.555 1.261) 2.140 2.735 ( 1.194 0.757 1.952) 2.410 2.837 ( -0.241 6.982 -0.650) 7.017 3.022 ( -2.430 2.271 -6.084) 6.933 3.218 ( 1.952 10.926 0.385) 11.105 3.366 ( -0.925 11.973 -3.950) 12.642 3.434 ( 3.076 1.479 4.298) 5.489 4.045 ( -3.122 2.489 -3.541) 5.337 4.169 ( -2.862 1.012 0.397) 3.061 4.416 ( 6.768 -1.311 3.059) 7.542 4.452 ( -4.468 -2.584 1.297) 5.322 5.664 ( -0.615 0.878 -0.768) 1.318 5.769 ( 0.281 5.990 -1.277) 6.131 6.092 ( -0.300 -5.317 -0.429) 5.343 6.353 ( 0.316 0.736 -0.164) 0.818 6.394 ( 3.625 3.154 -0.093) 4.806 6.934 ( 2.375 -13.149 0.846) 13.389 8.585 ( -0.504 6.233 1.270) 6.381 8.729 ( -0.380 6.096 -1.099) 6.206 9.247 ( -1.256 -0.205 -1.660) 2.092 9.453 ( 0.791 -2.342 1.335) 2.809 10.758 ( 1.099 -0.897 1.960) 2.419 10.885 ( -0.793 2.575 -3.185) 4.172 11.314 ( -1.026 -1.372 -1.828) 2.505 11.375 ( -3.867 -0.397 0.616) 3.935 11.504 ( 0.206 -0.214 -0.995) 1.038 12.055 ( 4.627 -3.515 3.684) 6.880 21.934 ( -0.885 5.828 -3.431) 6.821 22.377 ( 0.701 1.971 -0.308) 2.115 22.590 ( -1.357 -0.221 1.522) 2.051 22.644 ( 2.306 -0.357 -1.456) 2.750 22.776 ( -1.020 1.321 2.049) 2.643 22.905 ( 0.611 -0.189 -0.072) 0.644 23.081 ( -1.975 -2.892 -0.587) 3.551 23.653 ( 0.584 -4.212 2.656) 5.013 ======================= Grid point 162 (75/130) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 2.153 7.093 7.333) 10.427 1.017 ( 3.912 12.804 11.045) 17.356 1.245 ( 0.244 -1.786 -1.484) 2.335 1.285 ( 0.590 2.389 -0.197) 2.468 1.539 ( 2.210 -1.747 1.066) 3.012 1.585 ( 2.681 -0.740 -1.847) 3.339 1.630 ( 6.981 1.329 3.700) 8.012 1.764 ( 8.942 3.041 4.450) 10.440 1.797 ( -0.166 9.933 0.425) 9.943 1.852 ( 2.939 2.984 0.006) 4.188 2.169 ( 1.208 -0.871 0.427) 1.549 2.333 ( 5.294 1.377 -2.750) 6.123 2.479 ( -0.890 -0.271 1.214) 1.529 2.712 ( 1.033 3.284 1.934) 3.949 2.774 ( 1.142 1.728 1.283) 2.436 2.860 ( 1.852 2.901 -2.117) 4.041 3.021 ( 3.591 0.564 -1.993) 4.146 3.244 ( 0.570 12.142 -0.148) 12.156 3.304 ( -3.218 10.378 -3.640) 11.459 3.506 ( 2.553 -0.350 2.682) 3.719 3.985 ( -2.059 3.469 -1.259) 4.226 4.106 ( -3.311 1.392 1.921) 4.074 4.327 ( -6.940 -0.585 2.551) 7.417 4.553 ( 6.682 -1.583 0.799) 6.913 5.640 ( -1.172 -0.190 0.146) 1.196 5.774 ( 0.373 5.349 -0.849) 5.429 6.084 ( -0.665 -5.482 -0.248) 5.528 6.346 ( -0.669 0.864 -0.148) 1.103 6.500 ( 4.519 1.599 -2.748) 5.525 6.927 ( -3.281 -12.260 -3.284) 13.110 8.578 ( -0.211 5.943 1.357) 6.099 8.721 ( -0.166 5.036 -0.383) 5.053 9.264 ( 2.547 -0.119 -0.474) 2.593 9.515 ( 5.192 -4.453 0.384) 6.851 10.781 ( 0.589 -2.854 1.160) 3.136 10.863 ( -0.487 5.494 -2.698) 6.140 11.149 ( -9.690 3.920 3.076) 10.896 11.385 ( -3.693 -1.316 -0.983) 4.042 11.493 ( 6.048 -0.501 -0.563) 6.095 12.184 ( 4.213 -3.420 0.213) 5.430 21.916 ( -0.520 4.455 -1.718) 4.803 22.384 ( 0.020 2.238 -0.853) 2.395 22.520 ( -4.731 1.598 0.812) 5.059 22.696 ( 0.131 0.881 -0.653) 1.104 22.773 ( 2.418 -1.303 3.809) 4.696 22.937 ( 2.254 -0.354 -0.550) 2.347 23.015 ( -3.563 -2.476 0.294) 4.349 23.672 ( 0.781 -4.544 0.725) 4.668 ======================= Grid point 163 (76/130) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 3.168 15.352 1.988) 15.801 1.098 ( 5.357 7.721 5.344) 10.811 1.204 ( -3.497 -0.823 -1.912) 4.070 1.267 ( -1.757 1.599 0.747) 2.490 1.538 ( -0.941 0.773 -1.703) 2.094 1.589 ( -0.333 -0.062 -2.900) 2.920 1.704 ( -0.512 2.482 0.519) 2.587 1.799 ( 0.043 8.799 -3.550) 9.488 1.915 ( 2.758 1.525 0.976) 3.299 2.012 ( 6.249 -1.091 3.511) 7.250 2.278 ( 9.321 0.444 6.398) 11.315 2.386 ( 1.657 -1.756 4.935) 5.494 2.584 ( 9.377 0.188 -3.101) 9.878 2.740 ( 1.617 6.111 2.036) 6.641 2.789 ( 0.552 3.746 1.547) 4.090 2.884 ( 1.684 2.683 -3.215) 4.513 3.073 ( -2.047 4.226 -1.169) 4.839 3.242 ( -0.782 10.656 -0.032) 10.685 3.349 ( 9.971 -0.541 0.599) 10.003 3.517 ( -1.536 0.145 -3.791) 4.092 3.977 ( 1.230 2.778 4.190) 5.176 4.046 ( -1.995 1.542 2.049) 3.250 4.205 ( -4.714 1.212 1.756) 5.174 4.698 ( 7.008 -1.979 0.381) 7.292 5.619 ( -0.923 -1.769 0.228) 2.008 5.782 ( 0.414 5.682 -0.672) 5.737 6.064 ( -1.113 -6.093 0.122) 6.195 6.329 ( -0.875 0.939 0.080) 1.286 6.533 ( -1.100 -0.005 -0.998) 1.485 6.800 ( -7.984 -6.853 -6.386) 12.308 8.579 ( 0.156 6.075 1.314) 6.218 8.724 ( 0.401 4.592 -0.358) 4.623 9.323 ( 2.707 0.065 0.062) 2.709 9.645 ( 6.416 -7.623 0.360) 9.970 10.779 ( -0.132 -2.304 -0.942) 2.492 10.882 ( 2.320 7.166 -1.839) 7.754 10.989 ( -5.671 6.378 3.461) 9.210 11.279 ( -5.294 -0.416 -2.966) 6.082 11.686 ( 11.007 -1.700 -0.072) 11.138 12.198 ( -2.363 -2.510 1.480) 3.752 21.911 ( 0.149 3.874 -0.357) 3.893 22.373 ( -1.270 1.032 -0.460) 1.700 22.436 ( -2.618 3.621 1.107) 4.603 22.630 ( -5.097 1.580 -0.186) 5.340 22.859 ( 3.430 -2.527 2.887) 5.146 22.955 ( -1.023 -0.753 1.577) 2.024 23.004 ( 3.457 -2.380 0.359) 4.212 23.677 ( -0.277 -5.196 -1.853) 5.523 ======================= Grid point 164 (77/130) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.229 19.812 1.233) 19.852 1.104 ( -5.297 4.319 2.330) 7.221 1.231 ( -1.182 -1.147 -0.030) 1.647 1.245 ( 5.890 1.236 -0.961) 6.095 1.516 ( -1.432 3.483 -0.870) 3.865 1.610 ( 3.980 2.909 -4.308) 6.547 1.678 ( -2.880 2.380 2.025) 4.249 1.790 ( -0.188 7.894 -4.915) 9.301 1.879 ( -3.047 1.226 -0.163) 3.288 2.091 ( 1.615 -2.790 0.427) 3.252 2.367 ( 1.426 -0.831 2.217) 2.764 2.464 ( 1.412 -0.907 5.970) 6.201 2.761 ( 2.351 5.541 -0.572) 6.046 2.805 ( 1.038 3.285 1.675) 3.831 2.811 ( 7.721 2.670 1.848) 8.376 2.959 ( 5.312 2.986 1.772) 6.346 2.991 ( -3.746 3.121 0.041) 4.876 3.227 ( -0.486 9.476 -0.415) 9.497 3.449 ( -3.802 1.174 -5.985) 7.187 3.579 ( 8.583 -4.778 1.753) 9.979 4.011 ( 1.000 0.614 3.060) 3.277 4.054 ( 2.337 1.391 4.361) 5.140 4.143 ( -1.115 2.163 0.235) 2.445 4.824 ( 4.585 -2.936 1.098) 5.555 5.599 ( -0.971 -2.721 0.109) 2.891 5.788 ( 0.192 6.412 -0.446) 6.431 6.043 ( -0.816 -7.010 0.378) 7.067 6.315 ( -0.475 0.604 0.143) 0.781 6.483 ( -2.576 0.145 -0.204) 2.589 6.621 ( -7.916 -1.859 -6.782) 10.588 8.585 ( 0.287 6.417 1.222) 6.538 8.734 ( 0.480 4.895 -0.613) 4.957 9.368 ( 1.542 0.087 -0.120) 1.549 9.746 ( 2.760 -8.360 2.271) 9.092 10.789 ( 0.852 0.186 -1.475) 1.713 10.909 ( -1.825 3.858 1.230) 4.442 10.952 ( 3.981 7.846 -1.877) 8.997 11.170 ( -4.843 -0.129 -3.255) 5.836 11.912 ( 10.244 -1.830 -1.278) 10.484 12.114 ( -5.474 -2.011 3.462) 6.782 21.918 ( 0.473 4.130 0.281) 4.167 22.344 ( -0.727 0.334 0.654) 1.033 22.416 ( 0.141 4.570 0.035) 4.573 22.515 ( -5.374 0.412 -0.427) 5.406 22.903 ( 1.243 -1.424 1.294) 2.291 22.953 ( 0.272 -0.664 0.995) 1.227 23.082 ( 2.965 -3.788 4.154) 6.356 23.661 ( -0.859 -5.228 -3.458) 6.327 ======================= Grid point 165 (78/130) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.595 18.010 0.898) 18.043 1.027 ( -1.417 8.425 3.201) 9.123 1.210 ( -0.554 -1.531 0.040) 1.629 1.318 ( 1.523 -1.441 -2.415) 3.199 1.475 ( -2.466 6.002 0.909) 6.552 1.544 ( -9.152 5.436 2.861) 11.022 1.728 ( 5.422 4.240 -4.492) 8.219 1.802 ( 2.480 4.953 -5.761) 7.992 1.872 ( 2.263 0.740 -0.597) 2.455 2.102 ( -0.151 -3.732 -0.033) 3.736 2.391 ( -0.297 -1.242 3.265) 3.506 2.464 ( 0.129 -0.743 2.536) 2.646 2.776 ( -0.181 9.007 0.237) 9.012 2.818 ( -0.205 2.787 1.034) 2.980 2.874 ( -3.000 3.074 1.985) 4.732 2.924 ( -0.518 0.371 -0.031) 0.638 3.100 ( 4.871 1.495 3.677) 6.284 3.226 ( 0.529 7.458 0.034) 7.477 3.364 ( -3.626 2.751 -4.667) 6.519 3.647 ( -2.312 -3.571 2.719) 5.048 4.029 ( 0.648 -1.122 2.876) 3.154 4.106 ( 1.823 0.157 1.777) 2.551 4.155 ( 1.442 3.039 0.441) 3.393 4.872 ( -0.287 -3.890 1.702) 4.256 5.586 ( -0.208 -2.968 0.206) 2.982 5.787 ( -0.291 6.941 -0.149) 6.949 6.037 ( 0.271 -7.473 0.314) 7.485 6.309 ( -0.048 0.500 0.183) 0.535 6.459 ( -0.545 0.558 -2.175) 2.310 6.499 ( -1.440 0.298 -4.189) 4.440 8.592 ( 0.262 6.850 1.110) 6.945 8.740 ( 0.197 5.438 -0.855) 5.508 9.385 ( 0.189 -0.088 -0.252) 0.327 9.757 ( -1.924 -7.298 3.947) 8.517 10.790 ( -0.750 1.846 -0.756) 2.131 10.891 ( -0.499 2.095 1.548) 2.652 11.039 ( 2.310 5.477 -5.031) 7.788 11.099 ( 0.541 1.172 -2.876) 3.153 11.971 ( -6.540 0.001 1.982) 6.834 12.110 ( 6.719 -4.120 0.270) 7.886 21.930 ( 0.545 4.955 0.302) 4.994 22.356 ( 1.725 -0.257 0.504) 1.816 22.408 ( -2.651 3.465 0.136) 4.365 22.449 ( 0.984 1.388 -0.647) 1.820 22.924 ( 0.507 -1.370 1.169) 1.871 22.962 ( 0.728 -0.637 0.013) 0.967 23.108 ( -1.136 -4.233 5.680) 7.174 23.644 ( -0.320 -5.102 -3.707) 6.315 ======================= Grid point 166 (79/130) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 1.650 13.183 -0.054) 13.286 1.026 ( -1.022 8.152 3.349) 8.872 1.215 ( 1.224 0.651 -0.488) 1.470 1.278 ( -7.317 1.424 0.582) 7.477 1.375 ( -2.395 5.445 4.510) 7.465 1.470 ( 0.889 6.794 -0.058) 6.852 1.790 ( 2.023 6.583 -5.663) 8.916 1.854 ( 1.294 1.038 -2.660) 3.135 1.956 ( 5.141 -0.286 -3.126) 6.023 2.091 ( -0.923 -3.201 0.884) 3.447 2.337 ( -4.584 -0.802 4.464) 6.448 2.497 ( 1.271 -0.474 4.185) 4.400 2.702 ( -10.499 0.348 -0.377) 10.512 2.766 ( -2.043 9.822 2.678) 10.383 2.809 ( -1.433 1.848 0.536) 2.399 2.954 ( 2.784 2.352 -0.215) 3.651 3.121 ( -2.987 1.981 -1.124) 3.756 3.254 ( 2.071 5.622 0.778) 6.042 3.299 ( -2.091 4.423 -1.877) 5.240 3.512 ( -10.001 -1.502 3.576) 10.727 4.048 ( 0.984 -1.691 2.924) 3.518 4.140 ( 2.190 0.718 -0.336) 2.329 4.180 ( 0.766 2.935 -0.066) 3.034 4.813 ( -5.380 -3.857 1.698) 6.834 5.594 ( 0.913 -2.542 0.341) 2.722 5.777 ( -0.643 6.928 -0.044) 6.958 6.055 ( 1.321 -7.061 0.026) 7.183 6.317 ( 0.798 0.873 0.039) 1.184 6.434 ( -0.224 0.828 -1.858) 2.046 6.571 ( 6.166 -1.624 -2.342) 6.793 8.598 ( 0.166 7.313 0.979) 7.380 8.740 ( -0.057 5.936 -1.092) 6.036 9.379 ( -0.667 -0.410 -0.222) 0.813 9.681 ( -5.438 -5.838 4.227) 9.029 10.766 ( -1.307 1.300 -0.058) 1.844 10.875 ( -0.808 0.892 -0.144) 1.212 11.041 ( 0.974 4.599 -2.178) 5.181 11.183 ( 4.925 2.498 -4.437) 7.084 11.825 ( -7.390 -0.340 2.458) 7.795 12.210 ( 2.532 -5.028 -0.521) 5.653 21.941 ( 0.514 6.051 -0.364) 6.084 22.358 ( -1.317 0.120 -0.240) 1.344 22.412 ( 3.015 0.253 0.422) 3.055 22.505 ( 3.821 4.106 0.111) 5.610 22.921 ( -0.762 -1.202 0.767) 1.617 22.988 ( 1.831 -1.221 -0.538) 2.265 23.048 ( -4.844 -3.911 5.328) 8.194 23.641 ( 0.237 -5.273 -2.542) 5.858 ======================= Grid point 167 (80/130) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -1.068 4.299 3.888) 5.894 0.965 ( -2.336 5.793 -0.580) 6.273 1.142 ( -5.051 9.436 7.570) 13.109 1.261 ( 2.857 4.159 -1.327) 5.218 1.350 ( -1.768 3.705 4.756) 6.283 1.525 ( 3.664 4.323 -0.330) 5.677 1.799 ( -2.905 2.041 -1.656) 3.917 1.838 ( -1.340 5.441 -4.701) 7.314 1.998 ( -2.893 -2.160 -1.124) 3.781 2.094 ( 2.211 -1.159 -1.195) 2.768 2.226 ( -6.765 2.222 6.196) 9.439 2.353 ( -14.405 -1.253 5.398) 15.434 2.580 ( 0.140 -1.121 -1.182) 1.635 2.726 ( -2.326 5.990 2.072) 6.752 2.777 ( -1.729 0.812 0.438) 1.960 2.974 ( -4.974 5.026 -3.521) 7.899 3.052 ( 1.925 4.833 -1.551) 5.429 3.279 ( -2.498 -0.847 2.950) 3.958 3.290 ( -2.676 8.632 -0.989) 9.091 3.327 ( 0.091 4.391 1.972) 4.814 4.088 ( 2.921 -1.009 3.362) 4.566 4.169 ( -0.466 3.042 -1.661) 3.497 4.216 ( 3.491 -0.115 -1.111) 3.665 4.670 ( -7.874 -2.613 1.318) 8.401 5.620 ( 1.506 -1.475 0.179) 2.116 5.765 ( -0.357 6.595 -0.263) 6.610 6.083 ( 1.208 -6.164 -0.423) 6.296 6.336 ( 0.791 0.740 -0.345) 1.137 6.431 ( -0.892 0.949 0.638) 1.450 6.711 ( 7.042 -5.191 -0.980) 8.803 8.600 ( -0.106 7.411 0.906) 7.467 8.738 ( -0.067 6.477 -1.403) 6.627 9.359 ( -1.390 -0.736 -0.848) 1.788 9.560 ( -5.961 -4.280 3.461) 8.114 10.743 ( -0.760 -0.117 0.597) 0.974 10.874 ( 0.800 0.825 -1.177) 1.645 11.101 ( 5.453 5.987 -0.186) 8.100 11.265 ( 3.294 1.039 -3.480) 4.903 11.675 ( -7.189 -0.778 0.665) 7.261 12.205 ( -3.048 -6.294 0.792) 7.038 21.949 ( 0.349 6.959 -1.784) 7.193 22.347 ( 0.154 -0.213 0.386) 0.468 22.484 ( 3.904 1.020 -0.403) 4.055 22.585 ( 3.267 3.748 1.316) 5.143 22.889 ( -3.124 -2.508 1.815) 4.398 22.945 ( -3.873 -1.222 2.408) 4.721 23.035 ( 2.610 -2.204 -1.100) 3.589 23.645 ( 0.162 -5.446 -0.607) 5.482 ======================= Grid point 168 (81/130) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -1.847 1.655 14.801) 15.008 0.912 ( -6.541 4.505 3.368) 8.627 1.121 ( 3.784 6.748 0.844) 7.782 1.250 ( -4.069 1.017 6.158) 7.450 1.363 ( 3.333 7.706 0.958) 8.450 1.590 ( 2.229 2.379 -0.694) 3.333 1.651 ( -8.776 6.536 10.358) 15.067 1.769 ( -8.780 -0.465 -5.194) 10.212 1.888 ( -3.792 7.769 -6.076) 10.566 2.007 ( -9.278 -0.548 2.890) 9.733 2.142 ( 0.806 -1.532 -2.245) 2.835 2.220 ( -0.599 -0.038 2.338) 2.414 2.582 ( -0.395 -1.338 0.741) 1.580 2.680 ( -1.694 0.480 2.065) 2.714 2.741 ( -1.500 1.164 1.146) 2.218 2.870 ( -3.116 7.776 -2.478) 8.736 3.087 ( -1.575 4.217 -4.803) 6.583 3.181 ( -0.176 6.182 1.085) 6.280 3.328 ( 2.857 4.494 3.359) 6.296 3.388 ( 2.728 8.924 -1.827) 9.509 4.108 ( -2.253 1.184 -2.634) 3.663 4.192 ( 2.045 -0.019 1.667) 2.638 4.284 ( 4.209 -0.230 1.112) 4.359 4.532 ( -4.828 -1.765 1.110) 5.259 5.652 ( 1.465 0.028 -0.571) 1.572 5.763 ( 0.220 6.417 -0.920) 6.487 6.098 ( 0.166 -5.341 -0.737) 5.394 6.343 ( -0.026 0.526 -0.208) 0.567 6.392 ( -2.090 2.173 1.773) 3.498 6.846 ( 5.669 -9.561 1.421) 11.206 8.595 ( -0.438 6.884 1.046) 6.977 8.735 ( -0.096 6.731 -1.571) 6.912 9.307 ( -3.445 -0.737 -2.129) 4.116 9.470 ( -2.597 -2.719 2.357) 4.437 10.740 ( 0.369 -0.640 1.568) 1.733 10.891 ( 0.514 1.399 -2.518) 2.927 11.258 ( 6.361 2.272 -2.148) 7.088 11.345 ( 7.426 1.230 1.174) 7.618 11.529 ( -6.786 -1.358 -1.988) 7.200 12.098 ( -6.488 -5.853 3.858) 9.551 21.949 ( -0.183 6.999 -3.422) 7.793 22.359 ( 0.863 0.736 0.436) 1.215 22.565 ( 3.405 -0.163 -0.390) 3.431 22.623 ( 0.378 2.594 1.541) 3.041 22.810 ( -3.077 -1.310 2.115) 3.957 22.909 ( -0.766 -0.007 0.268) 0.812 23.083 ( 1.662 -2.723 -1.407) 3.486 23.646 ( -0.004 -5.021 1.586) 5.265 ======================= Grid point 169 (82/130) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.750 4.586 11.649) 12.542 1.029 ( 2.412 7.715 7.774) 11.215 1.181 ( 2.436 1.397 6.844) 7.398 1.301 ( 3.028 3.855 -1.718) 5.194 1.515 ( 0.303 1.246 -1.980) 2.359 1.538 ( -5.388 -1.005 -6.014) 8.137 1.663 ( 1.674 0.693 -0.866) 2.009 1.735 ( -3.017 2.699 5.109) 6.518 1.896 ( -0.760 0.903 -1.190) 1.676 2.027 ( -2.280 7.202 5.917) 9.596 2.133 ( 1.736 2.085 1.291) 3.004 2.308 ( 2.166 1.220 0.067) 2.486 2.528 ( -2.619 0.533 0.501) 2.720 2.644 ( 2.288 -1.984 1.341) 3.312 2.819 ( 0.628 6.984 -0.554) 7.034 2.913 ( -0.554 1.150 -5.568) 5.712 3.171 ( -2.823 9.858 -0.225) 10.257 3.416 ( 2.924 3.831 3.803) 6.139 3.529 ( 2.898 13.798 3.161) 14.449 3.658 ( -2.182 13.622 -3.384) 14.204 4.098 ( -1.506 2.552 -0.494) 3.004 4.197 ( -2.483 1.131 -2.546) 3.732 4.376 ( 3.179 -1.100 2.047) 3.938 4.446 ( -0.705 1.264 1.968) 2.443 5.668 ( -0.268 -0.064 -0.352) 0.447 5.895 ( -0.181 5.443 -3.543) 6.497 5.966 ( -0.651 -6.727 -0.350) 6.767 6.378 ( 0.593 1.671 -0.091) 1.775 6.442 ( 3.754 0.661 0.034) 3.811 6.633 ( -0.470 -14.364 1.507) 14.450 8.732 ( -1.113 7.458 2.203) 7.856 8.855 ( -1.433 5.370 0.237) 5.562 9.246 ( -0.663 0.331 -1.161) 1.377 9.401 ( 0.441 -2.488 0.654) 2.610 10.726 ( 0.824 -0.172 -1.201) 1.467 10.981 ( 1.414 3.752 -4.212) 5.815 11.304 ( -0.801 1.595 -0.259) 1.803 11.369 ( -4.285 -0.070 0.236) 4.292 11.496 ( 0.463 -0.426 -0.690) 0.934 11.965 ( 4.460 -5.340 5.362) 8.784 22.060 ( -1.881 6.190 -5.528) 8.510 22.399 ( 1.168 0.230 -0.631) 1.347 22.555 ( -0.175 -3.022 1.072) 3.211 22.596 ( 0.215 -4.623 -1.807) 4.968 22.858 ( 0.488 5.154 1.695) 5.447 22.903 ( 0.089 0.205 -0.163) 0.277 23.040 ( -1.880 0.437 1.567) 2.486 23.564 ( 0.721 -4.409 4.258) 6.172 ======================= Grid point 170 (83/130) ======================= q-point: ( 0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 5.681 10.627 3.468) 12.540 1.185 ( 3.703 0.289 2.455) 4.452 1.239 ( 3.631 5.650 5.195) 8.491 1.340 ( -0.271 3.212 -1.581) 3.591 1.495 ( 1.289 -1.948 -0.690) 2.435 1.586 ( 6.337 -0.440 -1.080) 6.443 1.678 ( 0.804 3.563 5.170) 6.330 1.786 ( 7.835 -0.984 0.001) 7.897 1.883 ( 0.451 0.301 -2.564) 2.620 2.018 ( 0.166 6.071 4.310) 7.447 2.178 ( 2.320 4.348 5.385) 7.300 2.336 ( 0.733 -1.131 0.073) 1.350 2.508 ( 1.791 2.204 -0.565) 2.896 2.738 ( 6.023 -2.438 1.152) 6.599 2.847 ( 1.956 7.485 -0.274) 7.741 2.914 ( 0.913 1.336 -4.955) 5.212 3.118 ( -1.760 7.961 1.555) 8.300 3.451 ( -0.428 3.106 2.397) 3.946 3.554 ( -2.145 11.376 0.165) 11.577 3.586 ( -2.100 14.191 -0.905) 14.374 4.069 ( -1.141 4.583 0.458) 4.745 4.133 ( -3.211 0.998 -0.351) 3.381 4.345 ( -3.965 2.448 1.084) 4.784 4.522 ( 5.704 -1.220 0.639) 5.868 5.638 ( -2.096 0.041 0.066) 2.098 5.887 ( -0.049 4.834 -1.767) 5.147 5.952 ( -0.908 -6.730 -0.201) 6.794 6.367 ( -1.285 0.750 -0.163) 1.497 6.523 ( 1.622 0.085 -0.914) 1.864 6.640 ( 1.703 -13.868 -1.978) 14.111 8.721 ( -0.171 7.192 2.492) 7.613 8.832 ( -0.614 5.073 1.376) 5.292 9.268 ( 2.563 0.644 -0.405) 2.674 9.429 ( 2.381 -3.435 -0.047) 4.179 10.745 ( 1.070 0.520 -1.983) 2.313 11.000 ( 1.009 5.438 -4.574) 7.177 11.233 ( -5.520 4.667 2.388) 7.613 11.340 ( -1.384 -2.602 1.473) 3.295 11.488 ( 2.959 0.389 -1.165) 3.204 12.085 ( 4.479 -6.282 1.694) 7.899 22.023 ( -1.132 5.773 -2.808) 6.519 22.412 ( 0.025 0.659 -1.105) 1.287 22.515 ( -2.941 -2.778 -0.867) 4.138 22.658 ( 4.828 -4.710 1.075) 6.830 22.839 ( -2.785 7.158 2.038) 7.946 22.924 ( 1.687 -0.943 -0.833) 2.104 22.978 ( -3.202 0.077 2.212) 3.893 23.566 ( -0.714 -5.528 2.218) 6.000 ======================= Grid point 171 (84/130) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 8.546 10.343 -2.054) 13.574 1.168 ( -1.863 -1.100 -1.726) 2.767 1.274 ( -1.399 8.001 1.046) 8.189 1.326 ( -0.386 3.174 -0.674) 3.268 1.545 ( 2.511 0.022 0.988) 2.698 1.608 ( -0.182 2.682 1.412) 3.037 1.751 ( 1.297 1.863 2.189) 3.153 1.921 ( 1.448 2.225 -1.845) 3.233 1.960 ( 4.487 0.016 1.266) 4.662 2.013 ( -0.437 2.131 0.841) 2.332 2.302 ( 9.146 2.434 6.877) 11.699 2.351 ( 1.731 -1.400 4.960) 5.437 2.599 ( 6.529 1.448 -1.402) 6.833 2.834 ( 1.663 0.506 1.326) 2.186 2.911 ( 4.372 8.225 -1.291) 9.404 2.951 ( 2.719 3.187 -0.722) 4.251 3.130 ( 3.188 1.024 -0.102) 3.350 3.394 ( -3.140 4.365 1.200) 5.509 3.497 ( -2.483 10.462 0.853) 10.786 3.552 ( -2.360 6.986 -2.487) 7.782 4.064 ( 0.689 5.588 3.248) 6.500 4.075 ( -2.290 1.548 1.869) 3.336 4.264 ( -3.273 4.405 -0.636) 5.524 4.646 ( 5.864 -2.960 -0.639) 6.599 5.596 ( -1.918 -0.558 0.200) 2.007 5.891 ( 0.359 1.745 -0.216) 1.794 5.927 ( -1.205 -3.973 -0.462) 4.177 6.330 ( -2.139 -1.731 0.351) 2.774 6.512 ( -1.645 -2.081 0.942) 2.815 6.654 ( -1.107 -5.852 -6.159) 8.568 8.728 ( 0.597 7.686 2.551) 8.120 8.834 ( 0.617 5.454 1.390) 5.662 9.329 ( 2.875 0.664 -0.415) 2.979 9.498 ( 4.081 -5.843 -0.734) 7.165 10.770 ( 1.699 1.571 -2.086) 3.115 11.022 ( 1.314 5.579 -4.632) 7.369 11.124 ( -4.537 5.648 3.621) 8.099 11.273 ( -4.092 0.763 -0.289) 4.173 11.639 ( 9.867 -2.387 -0.132) 10.152 12.120 ( -0.962 -5.227 1.100) 5.427 22.012 ( 0.166 5.643 -0.361) 5.657 22.395 ( -1.639 1.325 0.128) 2.111 22.459 ( -1.855 -2.031 -0.805) 2.866 22.738 ( -4.907 8.577 0.742) 9.910 22.770 ( 3.344 -5.950 4.118) 7.971 22.931 ( -0.370 -1.232 0.420) 1.353 22.973 ( 1.916 -0.401 0.133) 1.962 23.545 ( -1.194 -7.333 -0.888) 7.483 ======================= Grid point 172 (85/130) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.153 3.741 -1.825) 4.166 1.204 ( 3.016 9.867 -1.051) 10.371 1.228 ( -1.501 3.962 0.804) 4.312 1.312 ( -0.974 4.557 -2.213) 5.158 1.584 ( 1.476 3.100 0.166) 3.437 1.648 ( 3.253 1.122 1.386) 3.709 1.773 ( 1.596 4.410 0.174) 4.693 1.870 ( -3.852 2.964 -0.180) 4.864 1.956 ( -2.357 2.711 -1.120) 3.763 2.031 ( 0.068 -2.531 0.333) 2.554 2.360 ( 1.394 0.330 2.777) 3.124 2.466 ( 1.787 1.361 6.784) 7.147 2.783 ( 9.665 0.303 0.557) 9.685 2.855 ( 0.940 1.357 1.726) 2.388 2.938 ( -1.156 3.957 0.412) 4.143 3.036 ( 4.483 4.151 2.219) 6.500 3.154 ( -1.566 12.179 -1.046) 12.324 3.428 ( 1.768 -2.687 2.925) 4.347 3.448 ( 0.245 6.475 -1.147) 6.580 3.496 ( -1.305 1.438 -2.519) 3.181 4.041 ( -1.284 1.643 2.247) 3.066 4.100 ( 2.167 4.925 3.711) 6.537 4.224 ( -0.417 5.026 -1.791) 5.352 4.744 ( 3.283 -4.698 -1.018) 5.821 5.560 ( -1.515 -1.144 0.086) 1.901 5.883 ( -1.011 -7.464 0.328) 7.539 5.921 ( 0.555 5.421 -0.077) 5.449 6.291 ( -1.365 -3.035 0.414) 3.353 6.479 ( -1.188 -0.185 0.269) 1.232 6.587 ( -4.183 -1.455 -5.407) 6.989 8.746 ( 0.798 8.413 2.392) 8.782 8.855 ( 1.113 6.199 0.907) 6.363 9.374 ( 1.431 0.592 -1.157) 1.933 9.576 ( 2.874 -7.255 -0.699) 7.834 10.810 ( 2.051 1.990 -1.293) 3.137 11.003 ( -2.899 5.336 0.864) 6.134 11.098 ( 1.219 2.550 -3.527) 4.519 11.194 ( -2.664 5.068 0.549) 5.752 11.846 ( 9.369 -4.283 -0.044) 10.302 12.063 ( -4.264 -3.101 1.345) 5.441 22.027 ( 1.204 6.109 1.115) 6.325 22.358 ( -1.470 0.992 1.121) 2.098 22.439 ( -0.467 -1.873 -0.451) 1.982 22.617 ( -5.130 8.090 1.207) 9.655 22.837 ( 1.917 -5.074 2.836) 6.121 22.936 ( 0.525 -0.777 0.405) 1.022 23.015 ( 1.745 -1.813 1.215) 2.794 23.521 ( -0.880 -8.090 -3.191) 8.741 ======================= Grid point 173 (86/130) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -1.311 5.854 0.371) 6.011 1.180 ( -0.282 9.206 0.964) 9.261 1.259 ( 1.321 6.740 -1.449) 7.020 1.290 ( -0.987 1.268 -2.974) 3.381 1.595 ( -0.602 5.374 0.245) 5.413 1.662 ( -3.411 4.087 2.882) 6.054 1.832 ( 1.515 2.655 0.058) 3.057 1.837 ( 3.748 3.047 -1.661) 5.107 1.924 ( 0.045 2.118 -2.630) 3.378 2.016 ( -0.717 -4.122 0.408) 4.203 2.387 ( -0.135 1.372 3.711) 3.959 2.469 ( 0.263 1.384 3.634) 3.898 2.862 ( -1.912 1.251 2.977) 3.753 2.884 ( -0.924 2.280 -0.288) 2.477 2.928 ( 2.195 0.723 -0.509) 2.366 3.047 ( -3.224 6.823 4.674) 8.877 3.182 ( 3.290 9.462 0.692) 10.042 3.376 ( -2.983 5.948 0.091) 6.655 3.438 ( -0.942 3.147 -0.421) 3.312 3.547 ( 1.270 -4.704 0.519) 4.900 4.021 ( -0.839 0.989 2.297) 2.637 4.149 ( 2.248 4.810 0.401) 5.325 4.234 ( 1.003 4.157 -0.603) 4.319 4.770 ( -0.766 -5.809 -0.783) 5.911 5.540 ( -0.229 -1.429 0.131) 1.453 5.873 ( 0.271 -8.171 0.078) 8.176 5.930 ( 0.055 6.519 0.560) 6.543 6.279 ( 0.196 -2.922 0.083) 2.930 6.472 ( 0.006 0.444 -0.708) 0.836 6.509 ( -1.689 0.402 -3.512) 3.918 8.764 ( 0.739 9.051 2.121) 9.325 8.876 ( 0.848 7.052 0.230) 7.106 9.386 ( -0.123 0.261 -1.510) 1.538 9.600 ( -0.689 -7.112 -0.189) 7.148 10.833 ( -0.383 2.216 -0.466) 2.297 10.952 ( -1.839 3.618 2.051) 4.548 11.086 ( -1.003 0.790 -3.432) 3.662 11.212 ( 3.376 7.498 -1.529) 8.364 11.940 ( -5.207 -3.848 2.798) 7.053 12.020 ( 4.756 -3.480 -1.293) 6.034 22.059 ( 1.663 7.224 1.231) 7.514 22.350 ( 0.797 -0.303 0.848) 1.202 22.414 ( -2.236 -0.764 0.617) 2.442 22.569 ( 1.000 7.492 0.312) 7.565 22.859 ( 0.010 -5.178 2.756) 5.866 22.945 ( 0.321 -0.912 0.044) 0.968 23.031 ( -0.517 -2.032 2.087) 2.958 23.505 ( -0.342 -8.151 -3.751) 8.979 ======================= Grid point 174 (87/130) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -4.417 7.450 -0.295) 8.666 1.186 ( -2.329 6.234 -0.049) 6.655 1.257 ( -0.895 -1.202 -1.110) 1.865 1.299 ( 2.823 8.686 -1.061) 9.195 1.557 ( -2.873 8.358 4.010) 9.705 1.601 ( -1.305 5.557 0.924) 5.782 1.840 ( -0.065 -0.793 -1.392) 1.603 1.920 ( 2.164 2.452 -2.206) 3.945 1.956 ( 3.257 1.628 -2.207) 4.258 2.026 ( 1.581 -2.809 1.263) 3.462 2.339 ( -4.086 1.059 4.007) 5.821 2.508 ( 1.719 1.471 4.377) 4.927 2.730 ( -11.212 1.963 3.379) 11.873 2.847 ( -1.764 2.268 -0.238) 2.883 2.933 ( -4.671 4.421 2.010) 6.738 3.030 ( 4.377 3.269 0.687) 5.506 3.194 ( -2.474 5.839 -1.601) 6.541 3.315 ( -2.983 1.775 1.201) 3.673 3.435 ( 0.194 4.352 3.877) 5.831 3.529 ( -1.472 5.962 -2.306) 6.559 4.026 ( 1.547 0.358 3.458) 3.805 4.190 ( 1.933 4.686 -2.119) 5.494 4.249 ( 0.322 3.357 -0.189) 3.378 4.714 ( -4.387 -5.496 -0.111) 7.033 5.553 ( 1.392 -1.343 0.287) 1.956 5.895 ( 1.726 -8.201 -0.177) 8.383 5.922 ( -0.761 6.748 0.196) 6.793 6.295 ( 1.233 -2.719 -0.139) 2.989 6.457 ( -0.423 1.069 0.046) 1.151 6.537 ( 3.080 -1.562 -2.779) 4.433 8.778 ( 0.330 9.398 1.841) 9.582 8.890 ( 0.508 7.769 -0.690) 7.816 9.370 ( -1.177 -0.363 -1.186) 1.709 9.550 ( -3.851 -6.192 0.376) 7.301 10.794 ( -2.761 1.646 -0.481) 3.250 10.926 ( -0.838 2.960 1.156) 3.287 11.102 ( 2.916 2.264 -1.545) 4.002 11.282 ( 3.143 6.122 -2.568) 7.345 11.802 ( -7.450 -1.878 1.630) 7.854 12.087 ( 0.965 -6.381 0.269) 6.459 22.092 ( 1.333 8.028 -0.660) 8.165 22.363 ( -1.330 0.573 0.402) 1.503 22.399 ( 2.809 -1.267 0.988) 3.236 22.635 ( 4.458 7.666 0.668) 8.893 22.840 ( -2.173 -7.021 3.302) 8.058 22.948 ( -0.264 -1.482 0.200) 1.518 23.006 ( -1.348 -0.182 0.797) 1.577 23.500 ( 0.148 -8.154 -2.430) 8.510 ======================= Grid point 175 (88/130) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -5.393 5.277 1.802) 7.757 1.103 ( -3.102 5.574 -1.041) 6.463 1.229 ( -2.667 3.559 1.731) 4.772 1.366 ( 2.459 4.163 -0.897) 4.918 1.492 ( -3.817 6.902 3.928) 8.811 1.603 ( 0.997 3.366 0.904) 3.625 1.830 ( -0.852 1.886 -0.411) 2.110 1.914 ( -3.100 0.424 0.453) 3.162 2.017 ( 1.396 2.374 -2.498) 3.718 2.063 ( 1.815 -1.070 -1.335) 2.494 2.251 ( -3.834 0.189 4.555) 5.957 2.377 ( -16.245 2.802 8.227) 18.424 2.578 ( -0.500 1.124 0.000) 1.231 2.781 ( -6.712 -0.031 0.996) 6.785 2.835 ( -1.648 5.225 0.563) 5.508 3.094 ( -6.281 3.655 -3.945) 8.269 3.158 ( 6.367 4.999 -2.126) 8.369 3.274 ( -0.382 0.365 4.164) 4.197 3.433 ( -0.230 10.733 1.999) 10.920 3.551 ( 3.904 11.754 -0.220) 12.387 4.084 ( 3.124 0.927 3.089) 4.491 4.231 ( 2.040 2.116 -1.009) 3.107 4.245 ( -0.533 3.772 -1.695) 4.170 4.603 ( -5.846 -3.626 0.709) 6.916 5.593 ( 2.343 -0.986 0.290) 2.558 5.903 ( -0.695 4.505 -0.889) 4.644 5.938 ( 2.058 -5.881 -0.693) 6.269 6.323 ( 1.299 -2.280 0.108) 2.626 6.450 ( -0.708 0.872 1.676) 2.017 6.597 ( 2.589 -5.064 -2.439) 6.189 8.777 ( -0.598 9.195 1.700) 9.370 8.895 ( -0.017 7.842 -1.618) 8.007 9.340 ( -1.701 -1.012 -0.963) 2.201 9.461 ( -4.126 -4.802 0.929) 6.399 10.741 ( -1.958 0.766 -0.671) 2.207 10.925 ( 0.728 2.388 -0.616) 2.571 11.198 ( 6.480 3.420 0.073) 7.327 11.326 ( 1.242 5.047 -2.242) 5.661 11.644 ( -7.754 -2.051 -0.205) 8.024 12.060 ( -3.510 -7.320 3.019) 8.661 22.108 ( 0.354 7.717 -4.000) 8.699 22.351 ( 0.260 0.735 1.117) 1.362 22.474 ( 3.804 -1.573 0.033) 4.116 22.701 ( -0.592 4.558 1.190) 4.748 22.796 ( -0.164 -4.001 3.631) 5.405 22.929 ( -1.176 -0.442 0.338) 1.301 23.007 ( 1.352 -0.216 -0.778) 1.575 23.508 ( 0.816 -7.441 0.364) 7.494 ======================= Grid point 176 (89/130) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -4.657 3.180 9.945) 11.433 1.070 ( -1.768 8.290 -1.166) 8.556 1.170 ( -1.995 1.802 5.541) 6.159 1.315 ( -5.281 3.665 2.356) 6.846 1.482 ( 2.215 3.472 -0.285) 4.128 1.622 ( 0.369 1.009 0.007) 1.074 1.759 ( -10.047 1.309 -2.197) 10.368 1.804 ( -3.296 4.925 1.862) 6.212 1.954 ( -5.516 -2.005 -0.314) 5.878 2.078 ( -1.232 1.676 0.442) 2.127 2.136 ( -4.404 4.673 4.768) 7.997 2.248 ( 2.725 1.846 1.777) 3.741 2.567 ( -0.992 -0.220 0.333) 1.069 2.662 ( -3.972 -0.925 2.890) 4.999 2.819 ( -0.355 6.622 -0.602) 6.658 2.967 ( -4.536 1.506 -5.974) 7.651 3.212 ( -0.596 7.276 -1.777) 7.514 3.335 ( 4.486 4.168 3.472) 7.039 3.460 ( 2.758 13.868 3.241) 14.506 3.644 ( 3.649 12.575 -1.483) 13.178 4.123 ( -0.206 0.964 0.233) 1.013 4.229 ( -0.512 2.620 -2.441) 3.617 4.286 ( 3.569 0.682 2.188) 4.241 4.499 ( -3.925 -1.077 1.366) 4.293 5.644 ( 2.266 -0.523 -0.090) 2.328 5.895 ( 0.094 4.635 -2.546) 5.289 5.970 ( 0.813 -5.895 -1.284) 6.087 6.346 ( 1.166 -0.897 0.827) 1.688 6.429 ( -1.139 1.208 1.843) 2.481 6.632 ( 0.797 -9.761 -0.418) 9.802 8.757 ( -1.306 8.415 1.850) 8.714 8.882 ( -1.044 6.658 -1.336) 6.871 9.289 ( -2.853 -0.822 -1.480) 3.317 9.407 ( -1.177 -3.172 1.187) 3.586 10.718 ( -0.169 0.000 -0.699) 0.719 10.950 ( 1.688 2.196 -2.783) 3.927 11.318 ( 0.269 4.285 -1.590) 4.579 11.379 ( 8.051 1.890 1.014) 8.332 11.491 ( -6.643 -2.082 -2.151) 7.286 11.971 ( -4.406 -6.321 6.369) 9.997 22.097 ( -0.977 6.893 -6.288) 9.381 22.371 ( 1.357 0.425 0.638) 1.559 22.537 ( 1.933 -2.388 -0.058) 3.073 22.634 ( -3.421 -3.550 0.375) 4.944 22.833 ( 1.678 4.315 2.631) 5.325 22.911 ( -0.646 0.195 -0.026) 0.675 23.041 ( 1.387 -0.272 -0.120) 1.418 23.535 ( 1.446 -5.557 3.414) 6.681 ======================= Grid point 177 (90/130) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 4.181 4.663 11.028) 12.682 1.061 ( 2.346 -2.196 6.544) 7.290 1.333 ( -0.110 8.582 5.645) 10.273 1.403 ( 4.266 6.187 -0.726) 7.550 1.525 ( -6.872 0.003 -5.881) 9.045 1.537 ( -2.242 1.259 -2.478) 3.571 1.648 ( 1.038 -1.186 -1.898) 2.467 1.763 ( -1.451 1.462 4.001) 4.500 1.868 ( -2.177 -3.074 -2.739) 4.657 2.005 ( -0.721 -5.299 -1.052) 5.450 2.261 ( 2.641 4.172 5.874) 7.674 2.300 ( 0.993 -0.812 -0.361) 1.333 2.533 ( -0.647 0.977 0.464) 1.260 2.623 ( 0.655 -0.807 3.961) 4.095 2.925 ( -0.692 2.068 -3.102) 3.792 2.959 ( -0.645 3.305 0.233) 3.375 3.355 ( -1.364 7.757 0.914) 7.929 3.476 ( 1.194 1.971 -0.093) 2.307 3.820 ( 1.700 12.660 1.917) 12.917 3.902 ( -0.083 9.165 0.340) 9.172 4.149 ( -0.031 2.297 0.157) 2.302 4.200 ( -2.601 -0.659 -1.734) 3.195 4.385 ( 2.523 1.973 1.417) 3.502 4.478 ( -0.051 0.944 2.173) 2.369 5.669 ( 0.081 0.402 -0.169) 0.443 5.818 ( 0.152 -7.014 0.012) 7.016 6.002 ( -0.910 5.094 -3.583) 6.294 6.309 ( 1.733 -10.906 -0.497) 11.054 6.421 ( -0.269 2.068 -0.108) 2.088 6.492 ( 0.306 -1.230 0.150) 1.276 8.864 ( -1.920 5.067 2.302) 5.887 8.930 ( -2.105 1.913 1.569) 3.248 9.266 ( 0.324 1.692 -0.231) 1.738 9.354 ( 0.681 -2.161 0.383) 2.298 10.771 ( 1.422 4.210 -3.702) 5.784 10.977 ( 2.556 -3.532 -4.998) 6.633 11.366 ( -3.982 1.523 0.798) 4.337 11.390 ( -2.422 2.353 -0.184) 3.382 11.514 ( 1.640 4.026 0.609) 4.390 11.835 ( 3.384 -7.460 4.723) 9.456 22.187 ( -2.031 6.359 -4.838) 8.245 22.401 ( 1.228 0.239 -0.581) 1.379 22.466 ( -2.241 -6.287 -1.527) 6.847 22.491 ( 1.692 -4.056 0.207) 4.400 22.897 ( 0.332 0.389 0.222) 0.557 22.915 ( -0.041 -0.127 -0.028) 0.136 23.149 ( -0.813 8.726 3.598) 9.473 23.465 ( 0.516 -5.610 4.129) 6.985 ======================= Grid point 178 (91/130) ======================= q-point: ( 0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 6.595 5.684 3.595) 9.420 1.159 ( 2.539 -1.556 1.284) 3.242 1.371 ( 0.562 4.734 2.044) 5.187 1.439 ( -0.065 5.881 -1.462) 6.060 1.477 ( 2.239 0.711 1.701) 2.901 1.572 ( 8.915 0.007 0.921) 8.962 1.737 ( 3.609 -0.621 2.351) 4.352 1.764 ( 4.270 2.887 0.532) 5.181 1.860 ( 2.093 -2.371 -1.192) 3.380 2.001 ( 0.180 -4.883 -0.445) 4.906 2.298 ( 0.604 2.951 5.330) 6.123 2.309 ( 0.426 -0.919 -0.547) 1.151 2.558 ( 3.219 3.271 1.050) 4.708 2.682 ( 4.808 -2.540 2.280) 5.896 2.934 ( 1.070 1.342 -2.879) 3.352 2.963 ( 1.391 2.804 1.494) 3.468 3.289 ( -4.578 7.820 1.413) 9.171 3.461 ( -2.386 -0.837 0.215) 2.538 3.806 ( -2.989 10.930 0.187) 11.332 3.853 ( -4.287 9.791 0.365) 10.695 4.152 ( -1.841 1.779 -0.142) 2.564 4.166 ( 1.307 4.018 1.257) 4.408 4.404 ( -1.165 2.784 -0.539) 3.066 4.505 ( 2.825 -0.796 1.034) 3.112 5.644 ( -2.044 0.815 -0.060) 2.201 5.800 ( -1.621 -6.844 -0.054) 7.033 5.993 ( 0.248 4.934 -1.846) 5.273 6.291 ( -2.717 -9.515 -0.320) 9.900 6.461 ( 2.544 -0.175 -0.350) 2.574 6.526 ( 2.983 -1.283 -1.909) 3.766 8.846 ( -0.029 4.758 3.148) 5.705 8.906 ( -0.353 1.917 2.844) 3.448 9.295 ( 2.384 1.989 -0.477) 3.141 9.377 ( 1.534 -1.959 -0.753) 2.600 10.804 ( 1.928 4.890 -4.055) 6.639 11.027 ( 2.518 -2.830 -6.346) 7.390 11.292 ( -4.876 0.558 2.861) 5.681 11.331 ( -1.291 1.113 1.708) 2.413 11.549 ( 2.696 6.809 0.055) 7.324 11.931 ( 4.151 -8.753 2.120) 9.917 22.147 ( -1.310 6.388 -2.359) 6.934 22.416 ( -1.436 -4.833 -2.021) 5.432 22.430 ( 0.305 -0.146 0.273) 0.435 22.553 ( 3.898 -4.994 0.754) 6.380 22.909 ( 0.616 -0.231 -0.218) 0.693 22.915 ( 0.065 0.226 -0.010) 0.236 23.092 ( -4.496 9.673 3.488) 11.223 23.444 ( -2.508 -6.659 2.589) 7.571 ======================= Grid point 179 (92/130) ======================= q-point: ( 0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.544 0.989 -2.068) 2.356 1.158 ( 1.611 0.562 -0.537) 1.789 1.382 ( 1.233 3.083 -0.638) 3.381 1.435 ( 1.677 4.971 -2.259) 5.712 1.581 ( 4.324 4.492 2.406) 6.683 1.675 ( -0.180 3.207 0.646) 3.276 1.763 ( 1.676 -0.040 4.398) 4.707 1.942 ( 5.934 0.360 -0.576) 5.973 1.948 ( 3.743 -0.848 0.061) 3.838 1.997 ( -0.383 -3.476 0.524) 3.537 2.332 ( 1.982 0.266 1.611) 2.568 2.362 ( 6.791 1.475 8.575) 11.037 2.652 ( 5.670 3.651 0.291) 6.750 2.813 ( 5.831 -2.669 1.349) 6.553 2.974 ( 4.285 0.433 -1.587) 4.590 3.007 ( 1.908 0.955 2.533) 3.312 3.197 ( -3.194 5.818 0.434) 6.652 3.397 ( -3.265 -2.811 0.467) 4.333 3.715 ( -5.412 9.589 -1.452) 11.106 3.740 ( -6.237 7.355 0.821) 9.679 4.119 ( -1.339 3.895 2.783) 4.971 4.195 ( 1.128 5.369 1.899) 5.806 4.364 ( -1.809 5.174 -2.429) 5.995 4.578 ( 3.685 -3.848 -1.504) 5.536 5.599 ( -2.212 0.982 -0.034) 2.420 5.762 ( -1.909 -6.958 -0.011) 7.215 6.004 ( 0.927 4.612 -0.373) 4.719 6.235 ( -2.287 -6.671 0.698) 7.086 6.491 ( 0.490 0.605 -0.426) 0.887 6.574 ( 0.929 -2.815 -3.687) 4.731 8.864 ( 1.233 5.127 3.658) 6.418 8.919 ( 1.215 2.460 3.296) 4.289 9.352 ( 2.777 1.510 -1.457) 3.481 9.418 ( 2.552 -2.361 -2.441) 4.248 10.839 ( 1.800 4.987 -2.874) 6.031 11.066 ( 1.618 -2.706 -5.826) 6.624 11.188 ( -4.570 3.526 2.407) 6.253 11.322 ( -0.635 0.986 2.159) 2.457 11.643 ( 6.335 4.456 0.070) 7.745 11.984 ( 0.901 -8.043 1.208) 8.183 22.133 ( 0.120 6.153 0.028) 6.154 22.378 ( -1.590 -5.182 0.061) 5.421 22.436 ( -0.272 2.639 0.402) 2.683 22.632 ( 2.970 -6.701 2.530) 7.754 22.895 ( -2.946 3.414 0.421) 4.529 22.917 ( 0.338 -0.139 0.046) 0.368 23.017 ( -1.453 6.937 0.889) 7.143 23.386 ( -2.703 -8.281 -0.301) 8.716 ======================= Grid point 180 (93/130) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.226 0.912 0.651) 1.144 1.202 ( 1.442 -1.649 -1.280) 2.537 1.412 ( 1.410 5.053 -2.442) 5.787 1.470 ( 0.694 7.766 -1.963) 8.040 1.656 ( 2.881 4.226 0.597) 5.149 1.674 ( 1.190 2.231 1.018) 2.726 1.795 ( 1.401 -1.398 0.152) 1.985 1.917 ( -3.766 -2.201 -0.101) 4.363 1.962 ( -1.331 1.540 0.664) 2.141 2.013 ( -0.560 0.076 -0.423) 0.706 2.393 ( 3.430 3.084 4.725) 6.603 2.500 ( 2.884 0.851 7.636) 8.207 2.809 ( 8.602 2.393 2.029) 9.157 2.871 ( 0.934 0.618 1.354) 1.757 2.979 ( -3.451 0.918 1.590) 3.909 3.087 ( 2.231 -1.141 1.991) 3.201 3.255 ( 8.568 -0.950 -0.490) 8.634 3.352 ( -0.646 -1.816 1.484) 2.432 3.594 ( -5.540 7.825 -1.977) 9.789 3.618 ( -5.339 5.411 -0.064) 7.602 4.100 ( -0.773 4.876 3.319) 5.948 4.220 ( 1.282 4.101 3.013) 5.248 4.340 ( -0.297 6.982 -4.372) 8.244 4.636 ( 1.832 -5.922 -3.014) 6.892 5.557 ( -1.737 0.993 -0.182) 2.009 5.726 ( -1.391 -7.122 -0.090) 7.257 6.027 ( 1.156 4.581 0.737) 4.782 6.207 ( -0.527 -4.674 0.986) 4.806 6.487 ( -0.543 0.951 -0.594) 1.246 6.554 ( -2.137 -1.848 -3.254) 4.310 8.896 ( 1.455 5.769 3.731) 7.023 8.955 ( 1.783 3.052 3.111) 4.708 9.394 ( 1.342 1.365 -2.939) 3.507 9.470 ( 2.304 -3.241 -3.615) 5.375 10.871 ( 1.362 3.963 -1.084) 4.329 11.053 ( -2.935 -3.124 -0.335) 4.300 11.141 ( 0.152 6.187 -2.152) 6.553 11.307 ( -0.475 2.656 1.577) 3.125 11.784 ( 6.372 -0.213 0.078) 6.376 11.978 ( -1.348 -5.374 0.764) 5.593 22.153 ( 1.765 6.035 1.695) 6.512 22.353 ( -0.951 -2.980 1.069) 3.306 22.423 ( -0.710 2.341 1.633) 2.941 22.651 ( -1.596 -6.425 4.730) 8.136 22.833 ( -1.705 5.653 -0.911) 5.974 22.923 ( 0.175 -0.615 0.108) 0.649 23.024 ( 1.040 3.277 -0.436) 3.465 23.344 ( -1.187 -9.058 -2.887) 9.581 ======================= Grid point 181 (94/130) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.253 1.056 1.701) 2.018 1.219 ( 0.378 -2.033 -0.642) 2.165 1.408 ( -2.112 8.641 -3.122) 9.428 1.474 ( 0.657 8.161 -1.501) 8.324 1.690 ( 0.021 3.794 -0.353) 3.811 1.705 ( 0.622 0.626 0.591) 1.062 1.809 ( -0.218 -2.093 -1.291) 2.469 1.875 ( 0.666 -2.432 -0.332) 2.543 1.951 ( 0.830 0.518 1.455) 1.753 1.985 ( -1.038 1.320 -0.465) 1.743 2.453 ( 0.168 4.559 5.424) 7.087 2.512 ( -0.079 2.261 5.653) 6.089 2.873 ( -1.327 0.534 3.255) 3.556 2.914 ( -0.338 0.477 0.402) 0.709 2.949 ( 2.488 1.407 1.124) 3.071 3.074 ( -3.194 -2.245 6.133) 7.270 3.349 ( -1.049 2.629 0.421) 2.862 3.388 ( 0.605 -3.752 1.598) 4.123 3.510 ( -1.037 7.273 -2.191) 7.666 3.563 ( 1.720 2.819 -1.422) 3.595 4.091 ( -0.432 5.982 2.614) 6.542 4.257 ( 1.939 2.463 2.974) 4.321 4.334 ( -0.141 7.219 -4.860) 8.703 4.643 ( -0.883 -6.585 -3.138) 7.348 5.534 ( -0.274 1.013 -0.146) 1.059 5.711 ( 0.123 -7.316 -0.237) 7.320 6.046 ( 0.401 4.828 1.174) 4.985 6.209 ( 0.492 -3.709 0.726) 3.812 6.479 ( -0.109 0.403 -0.745) 0.854 6.507 ( -1.419 -0.604 -2.201) 2.688 8.927 ( 1.203 6.357 3.487) 7.349 8.992 ( 1.465 3.576 2.448) 4.575 9.401 ( -0.459 1.259 -3.711) 3.946 9.489 ( -0.330 -3.686 -3.873) 5.357 10.882 ( -0.743 2.721 0.178) 2.827 10.988 ( -2.750 -0.884 1.443) 3.229 11.148 ( 0.646 5.817 -2.077) 6.211 11.322 ( 1.831 2.057 -0.063) 2.754 11.858 ( -0.801 -2.263 0.830) 2.540 11.956 ( 0.346 -3.551 -0.099) 3.569 22.203 ( 2.601 6.448 1.863) 7.199 22.340 ( -0.042 -0.953 0.887) 1.302 22.412 ( -0.884 1.225 2.529) 2.946 22.623 ( -0.162 -5.011 4.594) 6.800 22.816 ( -0.420 3.828 -0.875) 3.949 22.925 ( 0.066 -1.123 0.058) 1.127 23.037 ( 0.115 2.713 -0.564) 2.773 23.327 ( -0.342 -9.035 -3.644) 9.748 ======================= Grid point 182 (95/130) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -2.451 2.199 0.844) 3.399 1.203 ( -2.509 -1.885 -1.529) 3.491 1.354 ( -1.596 7.925 -0.405) 8.095 1.478 ( -0.748 6.071 -1.743) 6.361 1.656 ( -3.040 2.658 0.296) 4.049 1.693 ( -1.245 2.481 0.828) 2.897 1.821 ( 1.866 -0.082 -1.270) 2.259 1.921 ( 3.008 -1.725 -0.079) 3.468 1.972 ( 0.579 -0.480 0.701) 1.029 2.007 ( 2.721 0.416 -0.588) 2.814 2.385 ( -5.632 3.487 5.087) 8.352 2.527 ( -1.235 -0.632 6.523) 6.669 2.777 ( -8.940 2.999 3.604) 10.095 2.890 ( -2.615 0.679 0.202) 2.709 2.982 ( -3.136 1.559 3.893) 5.237 3.049 ( 6.636 -0.283 -0.014) 6.642 3.277 ( -5.621 1.617 -0.374) 5.861 3.313 ( -4.336 -0.711 1.118) 4.534 3.568 ( 4.461 6.831 0.399) 8.169 3.640 ( 4.481 2.976 -0.332) 5.389 4.095 ( 0.965 6.530 3.113) 7.298 4.292 ( 0.640 0.337 0.707) 1.011 4.324 ( 0.029 7.592 -3.684) 8.439 4.599 ( -2.962 -5.750 -2.002) 6.771 5.547 ( 1.477 1.022 0.111) 1.800 5.730 ( 1.547 -7.560 -0.263) 7.721 6.044 ( -0.544 5.174 0.428) 5.220 6.223 ( 0.837 -4.029 0.282) 4.125 6.473 ( -0.254 0.584 -0.008) 0.637 6.508 ( 1.090 -1.267 -2.088) 2.674 8.949 ( 0.504 6.786 2.964) 7.422 9.017 ( 0.807 3.987 1.283) 4.266 9.371 ( -1.967 0.634 -3.109) 3.733 9.450 ( -2.983 -3.544 -3.065) 5.555 10.839 ( -2.863 2.795 0.050) 4.001 10.949 ( -1.372 -1.040 1.323) 2.171 11.182 ( 3.011 5.725 -1.405) 6.620 11.368 ( 2.327 0.873 -0.802) 2.612 11.776 ( -5.939 0.590 0.440) 5.984 11.963 ( -0.911 -5.910 1.048) 6.071 22.242 ( 0.791 6.131 -0.917) 6.250 22.368 ( 2.114 -1.657 0.774) 2.795 22.392 ( -0.368 2.691 2.397) 3.623 22.649 ( 0.753 -7.980 4.479) 9.182 22.815 ( 1.028 6.037 -0.072) 6.124 22.926 ( -0.028 -0.985 0.165) 0.999 23.031 ( -0.286 3.167 -0.752) 3.267 23.324 ( 0.499 -8.865 -2.349) 9.185 ======================= Grid point 183 (96/130) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -5.825 4.090 1.281) 7.232 1.136 ( -2.730 -0.634 0.047) 2.803 1.350 ( 0.263 5.407 0.858) 5.482 1.432 ( -2.991 2.126 -1.482) 3.958 1.584 ( -3.508 4.195 1.311) 5.623 1.671 ( -1.048 2.616 1.486) 3.186 1.872 ( 2.294 1.813 -1.219) 3.168 1.932 ( -2.968 1.914 0.955) 3.659 1.982 ( -1.018 -3.398 -0.783) 3.633 2.056 ( 1.405 -1.916 -2.147) 3.202 2.263 ( -5.149 1.356 4.847) 7.200 2.388 ( -12.186 -2.373 7.696) 14.607 2.621 ( -4.153 3.111 0.986) 5.282 2.757 ( -7.447 -2.202 3.103) 8.363 2.987 ( 0.919 8.529 -0.880) 8.623 3.129 ( -6.877 0.856 -2.875) 7.503 3.235 ( 8.891 2.323 -1.825) 9.369 3.275 ( 1.279 -0.447 3.691) 3.931 3.664 ( 4.540 9.137 1.573) 10.323 3.736 ( 5.029 5.577 1.412) 7.641 4.137 ( 2.212 4.493 2.789) 5.732 4.277 ( -1.192 0.814 -1.396) 2.008 4.331 ( 0.089 5.361 -1.521) 5.573 4.532 ( -3.020 -3.411 0.298) 4.566 5.589 ( 2.388 0.826 0.308) 2.545 5.765 ( 1.695 -7.681 -0.144) 7.867 6.033 ( -0.368 5.445 -1.382) 5.630 6.244 ( 1.139 -4.992 0.177) 5.123 6.466 ( -0.669 0.736 0.763) 1.254 6.522 ( 0.065 -2.490 -2.257) 3.361 8.947 ( -0.970 6.944 2.216) 7.353 9.020 ( -0.850 3.842 -0.133) 3.937 9.325 ( -2.131 -0.271 -1.552) 2.650 9.380 ( -2.889 -3.024 -1.180) 4.345 10.784 ( -2.088 3.381 -0.872) 4.069 10.931 ( -0.285 -1.861 -0.397) 1.924 11.271 ( 5.606 4.064 -0.962) 6.991 11.407 ( 1.424 0.717 -1.355) 2.092 11.636 ( -7.225 3.076 0.187) 7.855 11.913 ( -3.776 -7.229 3.606) 8.918 22.243 ( -0.209 5.483 -3.969) 6.772 22.373 ( -0.057 0.676 1.239) 1.412 22.440 ( 2.608 -0.783 -0.042) 2.724 22.613 ( -4.012 -7.040 2.201) 8.396 22.867 ( 2.663 4.091 2.034) 5.288 22.921 ( -0.431 -0.428 0.153) 0.626 23.047 ( 2.404 4.964 -0.147) 5.518 23.353 ( 2.474 -7.789 0.712) 8.203 ======================= Grid point 184 (97/130) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -5.307 4.641 7.499) 10.293 1.084 ( -2.919 -2.766 3.725) 5.482 1.346 ( 0.071 8.993 0.769) 9.026 1.379 ( -2.390 2.716 0.622) 3.670 1.539 ( -0.199 3.977 0.380) 4.000 1.640 ( -2.363 0.953 0.223) 2.557 1.776 ( -10.899 -0.086 -3.100) 11.332 1.843 ( -6.259 -0.468 1.985) 6.583 1.922 ( -2.082 -0.979 -2.565) 3.446 2.034 ( -1.864 -3.984 -1.894) 4.789 2.222 ( -1.237 1.982 7.168) 7.539 2.261 ( 1.989 -0.317 1.064) 2.277 2.563 ( -2.102 0.563 0.709) 2.288 2.649 ( -3.342 -1.198 4.543) 5.765 2.975 ( -1.831 5.951 -1.669) 6.446 2.994 ( -4.584 2.150 -2.937) 5.853 3.332 ( 3.155 4.721 1.984) 6.015 3.405 ( 5.902 2.564 -1.309) 6.566 3.753 ( 3.975 12.151 1.927) 12.929 3.848 ( 4.839 6.752 1.948) 8.533 4.159 ( -0.352 2.348 -0.213) 2.384 4.252 ( -1.708 -0.697 -1.798) 2.576 4.335 ( 1.315 4.368 1.654) 4.852 4.489 ( -1.213 -0.541 2.034) 2.430 5.640 ( 2.321 0.452 0.144) 2.369 5.798 ( 1.438 -7.422 0.003) 7.560 6.023 ( -0.559 5.211 -3.510) 6.307 6.270 ( 1.412 -6.391 0.581) 6.571 6.445 ( -1.294 0.821 0.439) 1.594 6.506 ( -1.170 -2.809 -1.192) 3.268 8.912 ( -2.459 6.163 1.794) 6.874 8.981 ( -2.568 2.805 -0.020) 3.803 9.282 ( -1.652 0.284 -0.669) 1.805 9.349 ( -0.302 -2.517 0.551) 2.594 10.759 ( -0.188 3.749 -2.288) 4.396 10.940 ( 1.273 -2.974 -2.767) 4.257 11.389 ( 4.056 1.410 -1.599) 4.582 11.427 ( 0.929 0.130 -2.564) 2.731 11.498 ( -5.003 6.429 2.179) 8.433 11.835 ( -3.365 -7.280 6.009) 10.021 22.226 ( -1.138 5.937 -5.678) 8.294 22.381 ( 0.670 0.529 0.485) 0.982 22.472 ( 0.745 -3.705 -1.353) 4.014 22.526 ( -3.741 -5.501 0.741) 6.694 22.894 ( 0.133 1.108 1.130) 1.588 22.915 ( -0.063 -0.054 0.011) 0.083 23.118 ( 3.235 7.314 2.199) 8.294 23.419 ( 3.176 -6.078 3.537) 7.716 ======================= Grid point 185 (98/130) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 3.703 -3.790 8.785) 10.259 0.998 ( 3.703 3.790 8.785) 10.259 1.444 ( 2.247 -2.680 1.764) 3.917 1.444 ( 2.247 2.680 1.764) 3.917 1.539 ( -6.505 -1.338 -3.610) 7.559 1.539 ( -6.505 1.338 -3.610) 7.559 1.724 ( 1.674 -6.700 0.156) 6.908 1.724 ( 1.674 6.700 0.156) 6.908 1.875 ( -2.184 -5.532 -1.142) 6.056 1.875 ( -2.184 5.532 -1.142) 6.056 2.288 ( 1.481 -0.584 0.082) 1.594 2.288 ( 1.481 0.584 0.082) 1.594 2.584 ( 0.607 -2.935 3.248) 4.420 2.584 ( 0.607 2.935 3.248) 4.420 2.969 ( -1.335 -1.710 0.236) 2.182 2.969 ( -1.335 1.710 0.236) 2.182 3.469 ( -0.285 -2.997 -0.260) 3.022 3.469 ( -0.285 2.997 -0.260) 3.022 3.982 ( 1.217 -2.148 1.047) 2.681 3.982 ( 1.217 2.148 1.047) 2.681 4.182 ( -0.563 -1.011 -0.016) 1.157 4.182 ( -0.563 1.011 -0.016) 1.157 4.451 ( 0.729 -3.481 1.829) 3.999 4.451 ( 0.729 3.481 1.829) 3.999 5.704 ( 0.296 -3.584 -0.092) 3.598 5.704 ( 0.296 3.584 -0.092) 3.598 6.123 ( -0.574 -7.225 -2.501) 7.667 6.123 ( -0.574 7.225 -2.501) 7.667 6.463 ( 0.545 -1.865 0.086) 1.945 6.463 ( 0.545 1.865 0.086) 1.945 8.932 ( -2.338 -1.637 1.975) 3.471 8.932 ( -2.338 1.637 1.975) 3.471 9.309 ( 0.863 -2.280 0.399) 2.471 9.309 ( 0.863 2.280 0.399) 2.471 10.877 ( 2.121 -5.636 -4.725) 7.654 10.877 ( 2.121 5.636 -4.725) 7.654 11.391 ( -3.204 -1.187 -0.123) 3.419 11.391 ( -3.204 1.187 -0.123) 3.419 11.665 ( 2.391 -8.828 3.102) 9.658 11.665 ( 2.391 8.828 3.102) 9.658 22.322 ( -1.720 -6.866 -3.596) 7.939 22.322 ( -1.720 6.866 -3.596) 7.939 22.429 ( 0.944 -2.074 0.390) 2.312 22.429 ( 0.944 2.074 0.390) 2.312 22.906 ( 0.052 -0.508 0.077) 0.517 22.906 ( 0.052 0.508 0.077) 0.517 23.327 ( 0.029 -7.985 3.878) 8.877 23.327 ( 0.029 7.985 3.878) 8.877 ======================= Grid point 187 (99/130) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 4.551 -2.291 2.825) 5.826 1.122 ( 4.551 2.291 2.825) 5.826 1.440 ( -2.077 -2.462 -2.502) 4.078 1.440 ( -2.077 2.462 -2.502) 4.078 1.554 ( 7.571 -3.394 5.491) 9.949 1.554 ( 7.571 3.394 5.491) 9.949 1.786 ( 4.647 -4.820 -1.518) 6.865 1.786 ( 4.647 4.820 -1.518) 6.865 1.866 ( 1.045 -6.902 0.650) 7.011 1.866 ( 1.045 6.902 0.650) 7.011 2.305 ( 0.741 -0.596 0.010) 0.951 2.305 ( 0.741 0.596 0.010) 0.951 2.629 ( 3.418 -3.047 2.430) 5.184 2.629 ( 3.418 3.047 2.430) 5.184 2.969 ( 1.037 -1.498 1.180) 2.171 2.969 ( 1.037 1.498 1.180) 2.171 3.413 ( -4.534 -4.145 0.221) 6.147 3.413 ( -4.534 4.145 0.221) 6.147 3.937 ( -4.845 -1.626 0.224) 5.116 3.937 ( -4.845 1.626 0.224) 5.116 4.199 ( 1.433 -1.548 0.519) 2.172 4.199 ( 1.433 1.548 0.519) 2.172 4.465 ( 0.554 -3.169 0.515) 3.258 4.465 ( 0.554 3.169 0.515) 3.258 5.687 ( -1.674 -3.806 -0.173) 4.161 5.687 ( -1.674 3.806 -0.173) 4.161 6.111 ( -0.421 -7.183 -1.256) 7.304 6.111 ( -0.421 7.183 -1.256) 7.304 6.491 ( 1.964 -1.998 -0.934) 2.953 6.491 ( 1.964 1.998 -0.934) 2.953 8.910 ( -0.078 -1.490 3.250) 3.576 8.910 ( -0.078 1.490 3.250) 3.576 9.338 ( 1.917 -2.013 -0.670) 2.859 9.338 ( 1.917 2.013 -0.670) 2.859 10.923 ( 2.528 -6.270 -5.343) 8.617 10.923 ( 2.528 6.270 -5.343) 8.617 11.318 ( -3.171 -1.659 1.666) 3.948 11.318 ( -3.171 1.659 1.666) 3.948 11.735 ( 3.481 -10.098 1.619) 10.803 11.735 ( 3.481 10.098 1.619) 10.803 22.282 ( -1.587 -6.846 -1.654) 7.219 22.282 ( -1.587 6.846 -1.654) 7.219 22.469 ( 2.451 -3.062 0.139) 3.924 22.469 ( 2.451 3.062 0.139) 3.924 22.911 ( 0.347 -0.303 0.001) 0.461 22.911 ( 0.347 0.303 0.001) 0.461 23.287 ( -3.751 -8.820 2.900) 10.014 23.287 ( -3.751 8.820 2.900) 10.014 ======================= Grid point 189 (100/130) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.177 -0.453 -1.046) 1.154 1.158 ( 0.177 0.453 -1.046) 1.154 1.445 ( 2.157 -2.416 -1.202) 3.455 1.445 ( 2.157 2.416 -1.202) 3.455 1.673 ( 3.110 -3.135 2.647) 5.148 1.673 ( 3.110 3.135 2.647) 5.148 1.851 ( -0.615 -7.565 1.017) 7.658 1.851 ( -0.615 7.565 1.017) 7.658 1.955 ( 6.267 -0.852 0.121) 6.326 1.955 ( 6.267 0.852 0.121) 6.326 2.354 ( 4.541 -1.559 3.709) 6.067 2.354 ( 4.541 1.559 3.709) 6.067 2.735 ( 6.692 -4.303 1.164) 8.040 2.735 ( 6.692 4.303 1.164) 8.040 2.997 ( 1.168 -1.440 1.945) 2.688 2.997 ( 1.168 1.440 1.945) 2.688 3.314 ( -4.059 -5.091 0.292) 6.518 3.314 ( -4.059 5.091 0.292) 6.518 3.813 ( -6.704 -0.656 -0.016) 6.736 3.813 ( -6.704 0.656 -0.016) 6.736 4.215 ( -0.033 -3.468 1.638) 3.835 4.215 ( -0.033 3.468 1.638) 3.835 4.480 ( 1.044 -5.773 -2.019) 6.204 4.480 ( 1.044 5.773 -2.019) 6.204 5.647 ( -2.033 -4.008 -0.185) 4.498 5.647 ( -2.033 4.008 -0.185) 4.498 6.105 ( 0.006 -5.598 0.260) 5.605 6.105 ( 0.006 5.598 0.260) 5.605 6.523 ( 0.758 -2.204 -1.784) 2.935 6.523 ( 0.758 2.204 -1.784) 2.935 8.930 ( 1.507 -1.365 4.043) 4.526 8.930 ( 1.507 1.365 4.043) 4.526 9.383 ( 2.419 -1.432 -2.517) 3.773 9.383 ( 2.419 1.432 -2.517) 3.773 10.960 ( 1.174 -6.326 -3.700) 7.422 10.960 ( 1.174 6.326 -3.700) 7.422 11.277 ( -0.995 -4.215 1.143) 4.479 11.277 ( -0.995 4.215 1.143) 4.479 11.802 ( 2.864 -9.395 1.104) 9.884 11.802 ( 2.864 9.395 1.104) 9.884 22.259 ( -0.477 -6.170 0.237) 6.193 22.259 ( -0.477 6.170 0.237) 6.193 22.512 ( 1.227 -4.886 1.437) 5.239 22.512 ( 1.227 4.886 1.437) 5.239 22.915 ( -0.107 -0.279 0.180) 0.349 22.915 ( -0.107 0.279 0.180) 0.349 23.204 ( -3.590 -9.536 0.318) 10.195 23.204 ( -3.590 9.536 0.318) 10.195 ======================= Grid point 191 (101/130) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.712 -1.697 -0.060) 1.841 1.165 ( 0.712 1.697 -0.060) 1.841 1.501 ( 2.928 -2.906 -1.844) 4.518 1.501 ( 2.928 2.906 -1.844) 4.518 1.717 ( 1.147 -2.379 0.207) 2.650 1.717 ( 1.147 2.379 0.207) 2.650 1.818 ( -1.869 -5.809 0.612) 6.133 1.818 ( -1.869 5.809 0.612) 6.133 2.002 ( -0.781 -1.399 -0.522) 1.685 2.002 ( -0.781 1.399 -0.522) 1.685 2.470 ( 4.694 -3.558 6.706) 8.926 2.470 ( 4.694 3.558 6.706) 8.926 2.866 ( 4.036 -2.013 2.309) 5.067 2.866 ( 4.036 2.013 2.309) 5.067 3.010 ( -0.139 -3.289 1.397) 3.576 3.010 ( -0.139 3.289 1.397) 3.576 3.293 ( 2.581 -3.400 1.025) 4.390 3.293 ( 2.581 3.400 1.025) 4.390 3.676 ( -6.127 -0.140 -0.976) 6.206 3.676 ( -6.127 0.140 -0.976) 6.206 4.213 ( -0.058 -4.288 2.710) 5.072 4.213 ( -0.058 4.288 2.710) 5.072 4.499 ( 0.739 -7.639 -4.095) 8.699 4.499 ( 0.739 7.639 -4.095) 8.699 5.608 ( -1.571 -4.211 -0.302) 4.505 5.608 ( -1.571 4.211 -0.302) 4.505 6.115 ( 0.795 -4.259 1.151) 4.483 6.115 ( 0.795 4.259 1.151) 4.483 6.515 ( -1.094 -1.752 -1.706) 2.679 6.515 ( -1.094 1.752 -1.706) 2.679 8.970 ( 1.890 -1.488 4.260) 4.892 8.970 ( 1.890 1.488 4.260) 4.892 9.425 ( 1.672 -1.641 -4.341) 4.933 9.425 ( 1.672 1.641 -4.341) 4.933 10.965 ( -0.425 -4.887 -1.044) 5.015 10.965 ( -0.425 4.887 -1.044) 5.015 11.269 ( 0.016 -5.311 0.066) 5.311 11.269 ( 0.016 5.311 0.066) 5.311 11.855 ( 2.053 -5.974 0.597) 6.345 11.855 ( 2.053 5.974 0.597) 6.345 22.267 ( 1.114 -5.021 1.557) 5.374 22.267 ( 1.114 5.021 1.557) 5.374 22.513 ( -1.185 -6.009 3.226) 6.922 22.513 ( -1.185 6.009 3.226) 6.922 22.904 ( -0.786 -1.551 0.060) 1.740 22.904 ( -0.786 1.551 0.060) 1.740 23.159 ( -0.846 -8.806 -2.187) 9.113 23.159 ( -0.846 8.806 -2.187) 9.113 ======================= Grid point 193 (102/130) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.293 -1.721 0.529) 1.824 1.179 ( 0.293 1.721 0.529) 1.824 1.538 ( -0.041 -2.625 -2.344) 3.519 1.538 ( -0.041 2.625 -2.344) 3.519 1.715 ( -0.813 -1.213 0.045) 1.461 1.715 ( -0.813 1.213 0.045) 1.461 1.808 ( 1.108 -2.977 -0.489) 3.214 1.808 ( 1.108 2.977 -0.489) 3.214 1.980 ( -0.358 -1.587 0.015) 1.627 1.980 ( -0.358 1.587 0.015) 1.627 2.527 ( -0.132 -1.577 6.761) 6.944 2.527 ( -0.132 1.577 6.761) 6.944 2.898 ( 0.298 -1.697 2.169) 2.770 2.898 ( 0.298 1.697 2.169) 2.770 2.999 ( -1.268 -3.701 3.096) 4.989 2.999 ( -1.268 3.701 3.096) 4.989 3.358 ( 0.735 -0.414 1.408) 1.642 3.358 ( 0.735 0.414 1.408) 1.642 3.590 ( -0.618 -0.673 -1.972) 2.173 3.590 ( -0.618 0.673 -1.972) 2.173 4.222 ( 0.652 -5.175 2.550) 5.806 4.222 ( 0.652 5.175 2.550) 5.806 4.498 ( -0.471 -7.791 -4.422) 8.970 4.498 ( -0.471 7.791 -4.422) 8.970 5.589 ( -0.121 -4.457 -0.335) 4.471 5.589 ( -0.121 4.457 -0.335) 4.471 6.132 ( 0.593 -3.848 1.231) 4.084 6.132 ( 0.593 3.848 1.231) 4.084 6.491 ( -0.759 -0.779 -1.283) 1.682 6.491 ( -0.759 0.779 -1.283) 1.682 9.010 ( 1.547 -1.696 3.980) 4.595 9.010 ( 1.547 1.696 3.980) 4.595 9.435 ( -0.457 -2.042 -5.205) 5.610 9.435 ( -0.457 2.042 -5.205) 5.610 10.942 ( -1.694 -2.978 0.697) 3.497 10.942 ( -1.694 2.978 0.697) 3.497 11.277 ( 0.922 -5.559 -0.530) 5.660 11.277 ( 0.922 5.559 -0.530) 5.660 11.878 ( -0.131 -3.490 0.310) 3.506 11.878 ( -0.131 3.490 0.310) 3.506 22.302 ( 1.783 -3.077 1.429) 3.833 22.302 ( 1.783 3.077 1.429) 3.833 22.488 ( -0.994 -6.117 4.164) 7.466 22.488 ( -0.994 6.117 4.164) 7.466 22.893 ( -0.156 -2.404 -0.211) 2.418 22.893 ( -0.156 2.404 -0.211) 2.418 23.150 ( -0.127 -7.852 -2.810) 8.341 23.150 ( -0.127 7.852 -2.810) 8.341 ======================= Grid point 195 (103/130) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -1.647 -1.674 -0.074) 2.350 1.167 ( -1.647 1.674 -0.074) 2.350 1.489 ( -3.646 -4.317 -1.458) 5.835 1.489 ( -3.646 4.317 -1.458) 5.835 1.702 ( -0.867 -1.295 0.733) 1.723 1.702 ( -0.867 1.295 0.733) 1.723 1.857 ( 3.549 -3.381 -0.929) 4.989 1.857 ( 3.549 3.381 -0.929) 4.989 1.991 ( 0.831 -1.541 -0.113) 1.754 1.991 ( 0.831 1.541 -0.113) 1.754 2.471 ( -5.729 -4.299 6.737) 9.833 2.471 ( -5.729 4.299 6.737) 9.833 2.850 ( -6.752 -3.622 2.955) 8.213 2.850 ( -6.752 3.622 2.955) 8.213 3.026 ( 5.478 -2.088 0.780) 5.915 3.026 ( 5.478 2.088 0.780) 5.915 3.298 ( -4.939 -0.953 0.495) 5.055 3.298 ( -4.939 0.953 0.495) 5.055 3.651 ( 5.115 -1.587 0.462) 5.376 3.651 ( 5.115 1.587 0.462) 5.376 4.238 ( 0.544 -5.679 1.442) 5.884 4.238 ( 0.544 5.679 1.442) 5.884 4.475 ( -1.318 -6.721 -3.143) 7.536 4.475 ( -1.318 6.721 -3.143) 7.536 5.603 ( 1.418 -4.598 -0.145) 4.814 5.603 ( 1.418 4.598 -0.145) 4.814 6.138 ( 0.013 -4.284 0.468) 4.309 6.138 ( 0.013 4.284 0.468) 4.309 6.486 ( 0.204 -0.857 -0.930) 1.281 6.486 ( 0.204 0.857 -0.930) 1.281 9.039 ( 0.799 -1.847 3.172) 3.757 9.039 ( 0.799 1.847 3.172) 3.757 9.397 ( -2.625 -1.876 -4.490) 5.529 9.397 ( -2.625 1.876 -4.490) 5.529 10.902 ( -2.088 -3.065 0.823) 3.798 10.902 ( -2.088 3.065 0.823) 3.798 11.308 ( 2.045 -5.719 -0.964) 6.150 11.308 ( 2.045 5.719 -0.964) 6.150 11.845 ( -3.065 -5.368 0.826) 6.236 11.845 ( -3.065 5.368 0.826) 6.236 22.327 ( 0.604 -2.585 -0.273) 2.668 22.327 ( 0.604 2.585 -0.273) 2.668 22.491 ( 0.574 -6.806 3.824) 7.828 22.491 ( 0.574 6.806 3.824) 7.828 22.898 ( 0.593 -2.152 0.387) 2.265 22.898 ( 0.593 2.152 0.387) 2.265 23.149 ( 0.635 -7.901 -1.968) 8.167 23.149 ( 0.635 7.901 -1.968) 8.167 ======================= Grid point 197 (104/130) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -4.039 -2.058 0.666) 4.582 1.108 ( -4.039 2.058 0.666) 4.582 1.424 ( -1.860 -2.370 -0.192) 3.019 1.424 ( -1.860 2.370 -0.192) 3.019 1.676 ( -1.556 -2.745 1.612) 3.543 1.676 ( -1.556 2.745 1.612) 3.543 1.913 ( -0.226 -2.873 -1.084) 3.079 1.913 ( -0.226 2.873 -1.084) 3.079 1.991 ( -0.802 -3.589 -1.093) 3.836 1.991 ( -0.802 3.589 -1.093) 3.836 2.315 ( -8.396 -3.668 5.536) 10.705 2.315 ( -8.396 3.668 5.536) 10.705 2.695 ( -6.635 -3.699 2.701) 8.062 2.695 ( -6.635 3.699 2.701) 8.063 3.116 ( -1.917 -3.236 -2.342) 4.430 3.116 ( -1.917 3.236 -2.342) 4.430 3.260 ( 5.532 -0.862 1.524) 5.802 3.260 ( 5.532 0.862 1.524) 5.802 3.771 ( 6.141 -1.756 2.486) 6.854 3.771 ( 6.141 1.756 2.486) 6.854 4.240 ( -0.589 -4.243 -0.395) 4.302 4.240 ( -0.589 4.243 -0.395) 4.302 4.448 ( -0.931 -5.239 -0.174) 5.324 4.448 ( -0.931 5.239 -0.174) 5.324 5.639 ( 1.901 -4.356 0.087) 4.753 5.639 ( 1.901 4.356 0.087) 4.753 6.139 ( 0.089 -5.154 -0.840) 5.223 6.139 ( 0.089 5.154 -0.840) 5.223 6.485 ( -0.454 -1.269 -0.666) 1.503 6.485 ( -0.454 1.269 -0.666) 1.503 9.040 ( -1.118 -1.890 1.720) 2.789 9.040 ( -1.118 1.890 1.720) 2.789 9.336 ( -2.518 -1.384 -2.079) 3.547 9.336 ( -2.518 1.384 -2.079) 3.547 10.865 ( -1.304 -4.089 -0.510) 4.322 10.865 ( -1.304 4.089 -0.510) 4.322 11.358 ( 2.827 -4.108 -1.756) 5.287 11.358 ( 2.827 4.108 -1.756) 5.287 11.761 ( -4.863 -7.586 2.446) 9.337 11.761 ( -4.863 7.586 2.446) 9.337 22.335 ( 0.450 -3.628 -1.875) 4.109 22.335 ( 0.450 3.628 -1.875) 4.109 22.489 ( -1.412 -4.819 1.646) 5.285 22.489 ( -1.412 4.819 1.646) 5.285 22.909 ( 0.206 -0.888 0.749) 1.180 22.909 ( 0.206 0.888 0.749) 1.180 23.191 ( 3.610 -8.007 0.661) 8.808 23.191 ( 3.610 8.007 0.661) 8.808 ======================= Grid point 199 (105/130) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -4.515 -4.063 5.663) 8.304 1.013 ( -4.515 4.063 5.663) 8.304 1.417 ( 0.767 -0.542 -0.203) 0.961 1.417 ( 0.767 0.542 -0.203) 0.961 1.644 ( -2.047 -2.341 1.499) 3.452 1.644 ( -2.047 2.341 1.499) 3.452 1.791 ( -8.725 -3.470 -1.565) 9.519 1.791 ( -8.725 3.470 -1.565) 9.519 1.944 ( -3.643 -3.620 -1.541) 5.362 1.944 ( -3.643 3.620 -1.541) 5.362 2.246 ( 1.356 -0.958 2.076) 2.659 2.246 ( 1.356 0.958 2.076) 2.659 2.603 ( -2.694 -2.805 3.058) 4.948 2.603 ( -2.694 2.805 3.058) 4.948 3.028 ( -4.204 -0.850 -0.882) 4.379 3.028 ( -4.204 0.850 -0.882) 4.379 3.410 ( 5.964 -2.264 -0.329) 6.387 3.410 ( 5.964 2.264 -0.329) 6.387 3.899 ( 5.650 -2.055 2.682) 6.584 3.899 ( 5.650 2.055 2.682) 6.584 4.213 ( -1.718 -2.701 -1.310) 3.459 4.213 ( -1.718 2.701 -1.310) 3.459 4.440 ( 0.048 -4.623 2.152) 5.100 4.440 ( 0.048 4.623 2.152) 5.100 5.679 ( 1.828 -3.790 0.105) 4.209 5.679 ( 1.828 3.790 0.105) 4.209 6.136 ( -0.346 -6.067 -2.173) 6.454 6.136 ( -0.346 6.067 -2.173) 6.454 6.469 ( -0.854 -1.418 -0.128) 1.660 6.469 ( -0.854 1.418 -0.128) 1.660 8.993 ( -3.193 -1.696 0.973) 3.745 8.993 ( -3.193 1.696 0.973) 3.745 9.304 ( -0.481 -1.791 0.163) 1.862 9.304 ( -0.481 1.791 0.163) 1.862 10.853 ( 0.384 -4.959 -2.697) 5.658 10.853 ( 0.384 4.959 -2.697) 5.658 11.410 ( 1.700 -0.933 -2.490) 3.156 11.410 ( 1.700 0.933 -2.490) 3.156 11.670 ( -3.351 -8.773 4.398) 10.370 11.670 ( -3.351 8.773 4.398) 10.370 22.342 ( 0.161 -5.074 -3.514) 6.174 22.342 ( 0.161 5.074 -3.514) 6.174 22.445 ( -2.261 -2.193 0.657) 3.218 22.445 ( -2.261 2.193 0.657) 3.218 22.908 ( -0.217 -0.507 0.354) 0.655 22.908 ( -0.217 0.507 0.354) 0.655 23.279 ( 3.873 -7.680 3.166) 9.166 23.279 ( 3.873 7.680 3.166) 9.166 ======================= Grid point 225 (106/130) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 -0.000) 0.000 1.052 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 -0.000) 0.000 1.411 ( -0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 -0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 0.000) 0.000 1.944 ( -0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.195 ( -0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.738 ( -0.000 0.000 -0.000) 0.000 2.768 ( -0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.511 ( -0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.179 ( -0.000 0.000 0.000) 0.000 4.438 ( -0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 5.637 ( -0.000 0.000 0.000) 0.000 5.716 ( -0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.348 ( -0.000 0.000 -0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 8.522 ( -0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 9.231 ( -0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 10.758 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 11.308 ( 0.000 0.000 0.000) 0.000 11.388 ( 0.000 0.000 0.000) 0.000 11.493 ( -0.000 0.000 0.000) 0.000 12.109 ( 0.000 0.000 0.000) 0.000 21.861 ( 0.000 0.000 0.000) 0.000 22.349 ( 0.000 0.000 0.000) 0.000 22.607 ( 0.000 0.000 0.000) 0.000 22.629 ( -0.000 0.000 0.000) 0.000 22.792 ( -0.000 0.000 0.000) 0.000 22.907 ( -0.000 0.000 0.000) 0.000 23.100 ( -0.000 0.000 0.000) 0.000 23.708 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 227 (107/130) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -6.143 0.000 10.459) 12.129 1.070 ( 3.729 0.000 -12.834) 13.365 1.074 ( 0.927 0.000 8.912) 8.960 1.174 ( -1.241 0.000 -8.945) 9.030 1.459 ( 1.540 0.000 -9.582) 9.705 1.559 ( -3.398 0.000 0.337) 3.415 1.665 ( 6.158 0.000 0.650) 6.192 1.669 ( -1.687 0.000 2.213) 2.783 1.727 ( 10.940 0.000 1.553) 11.050 2.046 ( 4.061 0.000 7.939) 8.918 2.157 ( 9.337 0.000 -7.425) 11.929 2.251 ( 6.310 0.000 1.861) 6.578 2.555 ( -2.253 0.000 4.031) 4.617 2.719 ( -0.719 0.000 -1.980) 2.107 2.748 ( 0.523 0.000 1.592) 1.676 2.773 ( 0.643 0.000 -2.475) 2.557 3.007 ( -0.954 0.000 -0.690) 1.177 3.067 ( 11.104 0.000 1.482) 11.202 3.169 ( -1.344 0.000 0.655) 1.495 3.471 ( -3.170 0.000 -5.595) 6.430 3.984 ( 2.974 0.000 4.950) 5.775 4.167 ( -1.678 0.000 3.675) 4.039 4.348 ( -7.409 0.000 -1.932) 7.657 4.576 ( 4.904 0.000 -0.725) 4.958 5.642 ( 0.470 0.000 -0.246) 0.530 5.708 ( -0.690 0.000 -0.288) 0.748 6.149 ( -0.179 0.000 0.404) 0.442 6.335 ( -0.705 0.000 -0.041) 0.706 6.411 ( 4.405 0.000 -3.074) 5.372 6.988 ( -7.387 0.000 -2.374) 7.759 8.522 ( -0.037 0.000 0.089) 0.097 8.651 ( 0.386 0.000 -0.157) 0.417 9.275 ( 3.429 0.000 1.331) 3.678 9.549 ( 5.222 0.000 -1.732) 5.502 10.760 ( 0.209 0.000 -1.176) 1.194 10.875 ( -0.190 0.000 1.103) 1.119 11.169 ( -10.838 0.000 3.354) 11.345 11.360 ( -7.790 0.000 -1.565) 7.946 11.510 ( 8.170 0.000 1.191) 8.256 12.197 ( 5.317 0.000 -1.387) 5.495 21.863 ( 0.186 0.000 0.008) 0.186 22.351 ( 0.125 0.000 -0.024) 0.127 22.527 ( -5.016 0.000 1.444) 5.220 22.652 ( -0.778 0.000 -2.340) 2.466 22.839 ( 4.357 0.000 0.938) 4.457 22.924 ( 1.898 0.000 -1.044) 2.166 23.070 ( -2.451 0.000 2.298) 3.360 23.710 ( 0.004 0.000 -0.588) 0.588 ======================= Grid point 228 (108/130) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -6.689 0.000 7.487) 10.040 1.118 ( 3.968 0.000 5.245) 6.577 1.118 ( 1.286 0.000 -10.521) 10.599 1.187 ( 2.418 0.000 -7.592) 7.968 1.436 ( -1.706 0.000 -7.394) 7.588 1.468 ( -4.675 0.000 -0.341) 4.687 1.624 ( -2.855 0.000 3.516) 4.529 1.745 ( 3.411 0.000 2.874) 4.460 1.964 ( 3.167 0.000 3.766) 4.921 2.077 ( 1.582 0.000 1.689) 2.314 2.331 ( 5.420 0.000 -2.679) 6.046 2.483 ( 15.360 0.000 -5.544) 16.330 2.556 ( 0.577 0.000 4.508) 4.545 2.704 ( -0.473 0.000 -1.564) 1.634 2.762 ( 0.778 0.000 1.183) 1.416 2.837 ( 6.978 0.000 3.591) 7.848 2.979 ( -1.628 0.000 -1.063) 1.944 3.139 ( -1.309 0.000 1.113) 1.718 3.342 ( 14.480 0.000 -1.843) 14.597 3.390 ( -3.789 0.000 -6.303) 7.354 4.057 ( 3.279 0.000 5.232) 6.174 4.110 ( -3.547 0.000 3.966) 5.321 4.209 ( -4.908 0.000 -0.956) 5.001 4.721 ( 8.367 0.000 -0.601) 8.388 5.653 ( 0.560 0.000 -0.378) 0.675 5.690 ( -1.014 0.000 -0.565) 1.161 6.145 ( -0.185 0.000 0.607) 0.634 6.315 ( -1.109 0.000 0.133) 1.117 6.464 ( 0.320 0.000 -3.742) 3.756 6.785 ( -11.067 0.000 -2.244) 11.292 8.522 ( 0.088 0.000 0.099) 0.132 8.659 ( 0.413 0.000 -0.198) 0.458 9.341 ( 2.489 0.000 1.386) 2.849 9.696 ( 8.394 0.000 -3.649) 9.153 10.763 ( 0.135 0.000 -1.664) 1.670 10.873 ( -0.129 0.000 1.565) 1.570 10.957 ( -7.693 0.000 3.758) 8.562 11.232 ( -5.291 0.000 -1.063) 5.396 11.695 ( 9.354 0.000 -0.473) 9.366 12.258 ( 0.333 0.000 1.287) 1.330 21.868 ( 0.263 0.000 0.011) 0.263 22.354 ( 0.178 0.000 -0.034) 0.181 22.430 ( -4.101 0.000 1.766) 4.465 22.591 ( -4.413 0.000 -1.820) 4.773 22.903 ( 1.390 0.000 0.613) 1.519 22.991 ( 1.337 0.000 0.584) 1.459 23.056 ( 4.027 0.000 0.374) 4.044 23.700 ( -0.996 0.000 -0.752) 1.248 ======================= Grid point 229 (109/130) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -3.001 0.000 3.442) 4.566 1.077 ( -4.482 0.000 -3.751) 5.845 1.196 ( 2.383 0.000 -0.610) 2.460 1.281 ( 5.261 0.000 0.115) 5.262 1.412 ( -0.006 0.000 -3.765) 3.765 1.425 ( 2.935 0.000 -7.530) 8.081 1.563 ( -3.164 0.000 3.974) 5.079 1.762 ( -3.056 0.000 4.314) 5.287 1.914 ( -3.549 0.000 2.410) 4.290 2.128 ( 1.441 0.000 0.173) 1.452 2.408 ( 2.840 0.000 -0.169) 2.845 2.527 ( -2.462 0.000 0.359) 2.488 2.697 ( -0.105 0.000 -0.832) 0.839 2.765 ( 10.030 0.000 -4.219) 10.881 2.781 ( 0.907 0.000 0.778) 1.195 2.942 ( -1.703 0.000 -0.972) 1.961 3.029 ( 8.503 0.000 5.301) 10.019 3.127 ( 0.008 0.000 1.386) 1.386 3.314 ( -2.849 0.000 -4.300) 5.158 3.607 ( 9.887 0.000 -2.935) 10.314 4.075 ( 0.211 0.000 2.431) 2.440 4.117 ( 1.968 0.000 3.031) 3.614 4.138 ( -2.112 0.000 -0.168) 2.119 4.880 ( 6.124 0.000 0.157) 6.126 5.662 ( 0.327 0.000 -0.288) 0.435 5.669 ( -0.868 0.000 -0.471) 0.988 6.143 ( -0.082 0.000 0.452) 0.460 6.293 ( -0.935 0.000 -0.127) 0.943 6.428 ( -2.472 0.000 -2.925) 3.830 6.570 ( -8.584 0.000 -0.352) 8.591 8.525 ( 0.137 0.000 0.056) 0.148 8.666 ( 0.223 0.000 -0.129) 0.257 9.378 ( 1.130 0.000 0.588) 1.273 9.849 ( 5.871 0.000 -3.100) 6.639 10.763 ( -0.028 0.000 -1.118) 1.119 10.873 ( 0.017 0.000 1.051) 1.051 10.884 ( -0.214 0.000 2.976) 2.984 11.124 ( -4.919 0.000 -0.515) 4.946 11.879 ( 8.115 0.000 -2.522) 8.498 12.223 ( -3.414 0.000 3.293) 4.743 21.873 ( 0.186 0.000 0.008) 0.186 22.357 ( 0.127 0.000 -0.024) 0.129 22.374 ( -1.301 0.000 1.695) 2.137 22.490 ( -4.571 0.000 -1.420) 4.787 22.927 ( 1.077 0.000 0.526) 1.199 22.981 ( -0.897 0.000 0.984) 1.332 23.176 ( 5.180 0.000 -0.933) 5.264 23.672 ( -1.390 0.000 -0.401) 1.446 ======================= Grid point 230 (110/130) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -0.000 0.000 0.000) 0.000 1.006 ( -0.000 0.000 0.000) 0.000 1.223 ( -0.000 0.000 0.000) 0.000 1.318 ( -0.000 0.000 0.000) 0.000 1.426 ( -0.000 0.000 0.000) 0.000 1.521 ( -0.000 0.000 0.000) 0.000 1.527 ( -0.000 0.000 0.000) 0.000 1.668 ( -0.000 0.000 0.000) 0.000 1.885 ( -0.000 0.000 0.000) 0.000 2.139 ( -0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.486 ( -0.000 0.000 0.000) 0.000 2.696 ( -0.000 0.000 0.000) 0.000 2.793 ( -0.000 0.000 -0.000) 0.000 2.869 ( -0.000 0.000 -0.000) 0.000 2.920 ( -0.000 0.000 0.000) 0.000 3.125 ( -0.000 0.000 0.000) 0.000 3.131 ( -0.000 0.000 -0.000) 0.000 3.279 ( -0.000 0.000 0.000) 0.000 3.709 ( -0.000 0.000 0.000) 0.000 4.086 ( -0.000 0.000 -0.000) 0.000 4.121 ( -0.000 0.000 0.000) 0.000 4.139 ( -0.000 0.000 0.000) 0.000 4.947 ( -0.000 0.000 0.000) 0.000 5.658 ( -0.000 0.000 0.000) 0.000 5.666 ( -0.000 0.000 0.000) 0.000 6.143 ( -0.000 0.000 0.000) 0.000 6.281 ( -0.000 0.000 0.000) 0.000 6.401 ( -0.000 0.000 0.000) 0.000 6.470 ( -0.000 0.000 0.000) 0.000 8.527 ( -0.000 0.000 -0.000) 0.000 8.668 ( -0.000 0.000 0.000) 0.000 9.390 ( -0.000 0.000 0.000) 0.000 9.911 ( -0.000 0.000 0.000) 0.000 10.761 ( -0.000 0.000 0.000) 0.000 10.874 ( -0.000 0.000 0.000) 0.000 10.901 ( -0.000 0.000 0.000) 0.000 11.059 ( -0.000 0.000 0.000) 0.000 11.984 ( -0.000 0.000 0.000) 0.000 12.167 ( -0.000 0.000 0.000) 0.000 21.875 ( -0.000 0.000 0.000) 0.000 22.359 ( -0.000 0.000 0.000) 0.000 22.369 ( 0.000 0.000 0.000) 0.000 22.431 ( -0.000 0.000 0.000) 0.000 22.943 ( 0.000 0.000 0.000) 0.000 22.968 ( -0.000 0.000 0.000) 0.000 23.233 ( -0.000 0.000 -0.000) 0.000 23.655 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 235 (111/130) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.000 -0.727 -0.000) 0.727 1.147 ( -0.000 4.807 -0.000) 4.807 1.149 ( 0.000 6.956 0.000) 6.956 1.207 ( -0.000 -0.201 -0.000) 0.201 1.438 ( 0.000 2.178 0.000) 2.178 1.469 ( -0.000 -1.069 -0.000) 1.069 1.621 ( 0.000 2.335 0.000) 2.335 1.765 ( 0.000 1.940 0.000) 1.940 1.773 ( -0.000 7.155 -0.000) 7.155 1.999 ( 0.000 5.804 -0.000) 5.804 2.112 ( -0.000 5.643 0.000) 5.643 2.181 ( 0.000 0.049 0.000) 0.049 2.556 ( 0.000 -3.321 -0.000) 3.321 2.698 ( 0.000 -2.393 0.000) 2.393 2.777 ( 0.000 0.857 -0.000) 0.857 2.796 ( 0.000 2.128 0.000) 2.128 2.959 ( 0.000 7.515 0.000) 7.515 3.230 ( 0.000 15.970 0.000) 15.970 3.309 ( -0.000 10.690 0.000) 10.690 3.505 ( 0.000 -0.468 0.000) 0.468 3.992 ( -0.000 4.058 0.000) 4.058 4.173 ( -0.000 -0.526 0.000) 0.526 4.443 ( -0.000 0.585 0.000) 0.585 4.473 ( 0.000 -4.524 0.000) 4.524 5.656 ( -0.000 0.839 0.000) 0.839 5.760 ( -0.000 4.325 0.000) 4.325 6.087 ( 0.000 -5.227 0.000) 5.227 6.352 ( 0.000 0.716 0.000) 0.716 6.392 ( -0.000 3.188 0.000) 3.188 6.939 ( -0.000 -11.797 0.000) 11.797 8.602 ( -0.000 6.963 -0.000) 6.963 8.714 ( 0.000 5.938 0.000) 5.938 9.230 ( -0.000 -0.049 0.000) 0.049 9.466 ( -0.000 -2.621 0.000) 2.621 10.809 ( -0.000 -5.371 -0.000) 5.371 10.823 ( 0.000 5.663 0.000) 5.663 11.294 ( -0.000 -1.001 0.000) 1.001 11.383 ( -0.000 -0.477 0.000) 0.477 11.493 ( 0.000 -0.105 0.000) 0.105 12.090 ( 0.000 -2.044 0.000) 2.044 21.903 ( 0.000 3.848 0.000) 3.848 22.374 ( -0.000 1.634 0.000) 1.634 22.617 ( 0.873 -1.312 -0.328) 1.609 22.617 ( -0.873 0.222 0.328) 0.959 22.800 ( -0.000 1.641 0.000) 1.641 22.904 ( 0.000 -0.240 0.000) 0.240 23.073 ( -0.000 -2.087 0.000) 2.087 23.677 ( -0.000 -2.803 0.000) 2.803 ======================= Grid point 237 (112/130) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.570 1.615 7.354) 7.691 1.090 ( -0.952 0.626 -12.373) 12.425 1.202 ( -0.693 3.656 1.346) 3.957 1.245 ( 2.113 9.493 0.810) 9.759 1.456 ( 2.608 0.025 -7.429) 7.873 1.579 ( -0.423 1.153 1.284) 1.776 1.665 ( 10.235 1.192 2.260) 10.549 1.733 ( -0.450 3.915 -0.225) 3.947 1.812 ( 3.503 8.269 1.854) 9.169 2.039 ( 2.075 -0.168 5.525) 5.904 2.203 ( 8.070 4.278 -8.105) 12.211 2.231 ( 5.184 -0.624 1.779) 5.516 2.533 ( -0.677 -1.543 4.491) 4.797 2.720 ( 1.393 -0.062 -1.329) 1.926 2.787 ( 0.568 1.667 -3.463) 3.885 2.807 ( 1.502 3.685 2.399) 4.646 3.021 ( 4.658 3.533 1.684) 6.084 3.217 ( 0.165 12.004 -2.401) 12.243 3.296 ( -1.333 11.694 2.462) 12.024 3.471 ( -2.695 0.064 -5.282) 5.930 4.023 ( 2.539 3.518 4.386) 6.170 4.158 ( -1.898 -0.744 3.011) 3.636 4.336 ( -6.701 -0.684 -1.743) 6.958 4.552 ( 5.481 -1.822 -0.756) 5.825 5.644 ( -0.987 -0.078 0.266) 1.025 5.762 ( 0.205 4.741 -0.396) 4.762 6.086 ( -0.342 -5.424 0.408) 5.450 6.343 ( -0.490 0.783 -0.117) 0.931 6.441 ( 3.478 2.248 -2.892) 5.051 6.876 ( -5.800 -10.200 -1.774) 11.867 8.602 ( -0.001 7.071 0.562) 7.093 8.715 ( 0.114 5.747 0.159) 5.750 9.272 ( 3.346 -0.240 1.159) 3.549 9.506 ( 3.949 -3.751 -1.146) 5.566 10.786 ( -1.339 -2.739 -2.189) 3.753 10.840 ( 0.834 2.983 1.853) 3.609 11.204 ( -6.745 2.713 2.627) 7.730 11.369 ( -7.882 0.675 -0.839) 7.955 11.496 ( 7.986 -1.278 0.992) 8.149 12.162 ( 4.555 -3.265 -2.261) 6.044 21.908 ( 0.413 4.093 0.816) 4.194 22.370 ( -0.369 1.291 -0.602) 1.471 22.542 ( -4.024 0.639 1.355) 4.294 22.665 ( 0.328 1.439 -2.154) 2.611 22.824 ( 3.055 -0.965 0.970) 3.348 22.920 ( 1.619 -0.347 -0.866) 1.868 23.044 ( -2.462 -2.039 2.115) 3.833 23.671 ( -0.638 -3.578 -0.714) 3.704 ======================= Grid point 238 (113/130) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.558 8.441 3.636) 9.208 1.081 ( 1.585 -0.412 -8.567) 8.722 1.191 ( 0.064 5.143 3.054) 5.981 1.262 ( -0.273 3.581 -1.733) 3.987 1.488 ( 0.839 4.179 -7.177) 8.348 1.524 ( -3.151 4.258 -0.002) 5.298 1.724 ( -0.810 7.762 2.451) 8.179 1.770 ( 1.886 3.895 1.993) 4.764 1.953 ( 2.395 -0.283 2.425) 3.420 2.061 ( 1.365 -1.415 1.997) 2.803 2.322 ( 3.983 -0.598 -1.804) 4.414 2.476 ( 16.474 -0.020 -4.729) 17.139 2.548 ( 0.320 -0.227 3.500) 3.522 2.756 ( 2.207 4.170 -0.494) 4.743 2.796 ( 0.804 1.731 -1.346) 2.335 2.880 ( 5.853 5.502 4.124) 9.030 3.044 ( -2.520 4.755 -0.943) 5.463 3.260 ( -1.530 10.854 1.504) 11.064 3.339 ( 10.508 0.692 -1.615) 10.654 3.402 ( -2.828 1.132 -5.973) 6.705 4.086 ( 2.449 2.227 4.096) 5.266 4.100 ( -2.888 -0.117 3.908) 4.861 4.213 ( -4.623 0.665 -0.805) 4.739 4.692 ( 7.610 -2.611 -0.802) 8.086 5.621 ( -1.130 -1.559 0.001) 1.925 5.769 ( 0.501 5.708 -0.525) 5.754 6.072 ( -0.958 -6.196 0.547) 6.293 6.330 ( -0.778 0.849 0.081) 1.154 6.483 ( 0.270 1.471 -3.512) 3.818 6.715 ( -8.854 -6.329 -1.701) 11.015 8.603 ( 0.069 7.264 0.691) 7.297 8.719 ( 0.298 5.514 0.188) 5.525 9.337 ( 2.445 -0.376 1.116) 2.713 9.621 ( 6.755 -6.437 -2.375) 9.629 10.763 ( -0.428 -1.878 -0.982) 2.162 10.858 ( 0.839 3.261 -0.022) 3.367 11.064 ( -5.701 6.894 3.295) 9.533 11.238 ( -5.229 0.692 -0.763) 5.329 11.684 ( 9.580 -1.330 -0.219) 9.674 12.214 ( 0.285 -3.931 0.060) 3.941 21.919 ( 0.520 4.640 1.028) 4.781 22.359 ( -0.511 0.575 -0.741) 1.068 22.464 ( -3.220 2.065 1.450) 4.091 22.613 ( -4.567 2.999 -1.322) 5.621 22.893 ( 2.005 -1.283 0.800) 2.511 22.987 ( 2.584 -0.572 -0.125) 2.650 23.007 ( 1.718 -4.023 0.804) 4.448 23.649 ( -1.369 -4.723 -0.851) 4.990 ======================= Grid point 239 (114/130) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -0.565 15.013 0.808) 15.045 1.094 ( -1.225 2.402 -2.841) 3.917 1.216 ( 0.116 1.872 -0.587) 1.966 1.260 ( 2.081 -1.501 1.394) 2.920 1.483 ( -0.306 5.407 -1.569) 5.638 1.518 ( 3.837 7.229 -6.591) 10.508 1.698 ( -1.479 10.592 1.844) 10.853 1.782 ( -2.274 2.385 3.780) 5.016 1.901 ( -3.731 -0.826 2.136) 4.378 2.095 ( 0.636 -2.669 0.033) 2.744 2.390 ( 2.792 -1.128 -0.405) 3.039 2.522 ( -2.451 -0.179 0.497) 2.507 2.741 ( 5.952 2.612 -1.955) 6.788 2.809 ( 2.366 4.582 -0.284) 5.165 2.827 ( 4.100 4.205 -1.389) 6.035 2.966 ( -2.376 3.030 -1.261) 4.051 3.054 ( 7.056 2.192 5.024) 8.935 3.235 ( -0.756 9.763 1.336) 9.883 3.335 ( -2.182 1.894 -4.508) 5.354 3.574 ( 9.428 -3.201 -2.029) 10.161 4.062 ( -0.265 -0.766 1.762) 1.940 4.120 ( -1.173 -0.031 1.141) 1.637 4.160 ( 0.500 2.727 1.740) 3.273 4.833 ( 5.315 -4.252 -0.225) 6.810 5.599 ( -0.936 -2.549 -0.147) 2.719 5.780 ( 0.530 6.746 -0.324) 6.775 6.052 ( -0.946 -7.155 0.350) 7.226 6.315 ( -0.544 0.537 0.010) 0.764 6.451 ( -2.372 1.947 -2.867) 4.199 6.544 ( -6.683 -2.220 -0.060) 7.042 8.605 ( 0.059 7.300 0.420) 7.313 8.726 ( 0.278 5.566 0.103) 5.574 9.373 ( 1.104 -0.484 0.405) 1.272 9.747 ( 4.867 -8.628 -1.932) 10.093 10.770 ( 0.890 0.465 -0.451) 1.101 10.883 ( 1.928 3.113 -1.224) 3.861 10.990 ( -2.038 6.949 2.881) 7.794 11.133 ( -4.803 1.318 0.121) 4.982 11.874 ( 8.528 -0.817 -2.258) 8.859 12.179 ( -3.493 -3.937 2.498) 5.826 21.929 ( 0.341 5.172 0.666) 5.226 22.354 ( 0.204 0.260 0.235) 0.406 22.420 ( -1.103 2.388 -0.001) 2.630 22.505 ( -5.120 2.720 -0.283) 5.805 22.921 ( 1.048 -0.702 0.567) 1.383 22.973 ( -0.870 -0.852 0.909) 1.520 23.120 ( 4.952 -5.015 -1.025) 7.122 23.618 ( -1.395 -5.121 -0.443) 5.326 ======================= Grid point 240 (115/130) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -0.000 16.792 0.000) 16.792 1.061 ( 0.000 4.871 -0.000) 4.871 1.212 ( -0.000 -0.027 0.000) 0.027 1.290 ( 0.000 -2.360 -0.000) 2.360 1.486 ( -0.000 5.248 0.000) 5.248 1.632 ( 0.000 9.379 -0.000) 9.379 1.677 ( -0.000 0.997 0.000) 0.997 1.681 ( 0.000 11.424 0.000) 11.424 1.873 ( -0.000 -1.074 0.000) 1.074 2.097 ( -0.000 -3.527 -0.000) 3.527 2.429 ( 0.000 -1.237 0.000) 1.237 2.482 ( -0.000 -0.040 0.000) 0.040 2.779 ( 0.000 7.341 0.000) 7.341 2.827 ( -0.000 2.672 -0.000) 2.672 2.896 ( -0.000 2.356 0.000) 2.356 2.937 ( -0.000 2.342 0.000) 2.342 3.141 ( -0.000 1.455 0.000) 1.455 3.230 ( -0.000 8.838 -0.000) 8.838 3.309 ( 0.000 2.729 0.000) 2.729 3.675 ( 0.000 -3.560 -0.000) 3.560 4.066 ( -0.000 -1.604 -0.000) 1.604 4.103 ( -0.000 -0.765 0.000) 0.765 4.175 ( -0.000 3.013 0.000) 3.013 4.891 ( -0.000 -5.076 0.000) 5.076 5.588 ( -0.000 -2.886 0.000) 2.886 5.786 ( 0.000 7.249 0.000) 7.249 6.040 ( -0.000 -7.599 0.000) 7.599 6.310 ( -0.000 0.139 -0.000) 0.139 6.418 ( -0.000 2.089 0.000) 2.089 6.470 ( -0.000 0.057 0.000) 0.057 8.606 ( 0.000 7.265 -0.000) 7.265 8.729 ( -0.000 5.658 0.000) 5.658 9.385 ( -0.000 -0.515 0.000) 0.515 9.799 ( -0.000 -9.397 0.000) 9.397 10.781 ( -0.000 1.827 -0.000) 1.827 10.919 ( -0.000 1.913 0.000) 1.913 10.970 ( 0.000 7.267 -0.000) 7.267 11.069 ( -0.000 1.637 0.000) 1.637 11.992 ( 0.000 0.552 -0.000) 0.552 12.114 ( -0.000 -4.972 0.000) 4.972 21.933 ( -0.000 5.391 0.000) 5.391 22.363 ( 0.000 -0.057 0.000) 0.057 22.423 ( -0.000 5.491 0.000) 5.491 22.427 ( 0.000 -0.386 -0.000) 0.386 22.936 ( 0.000 -0.874 0.000) 0.874 22.961 ( -0.000 -0.629 0.000) 0.629 23.174 ( -0.000 -5.322 -0.000) 5.322 23.601 ( -0.000 -5.100 0.000) 5.100 ======================= Grid point 245 (116/130) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 6.399 -0.000) 6.399 1.162 ( -0.000 -1.291 -0.000) 1.291 1.245 ( -0.000 6.301 -0.000) 6.301 1.284 ( 0.000 4.580 0.000) 4.580 1.446 ( 0.000 -1.025 0.000) 1.025 1.470 ( 0.000 0.826 -0.000) 0.826 1.654 ( -0.000 0.147 0.000) 0.147 1.800 ( 0.000 1.393 0.000) 1.393 1.858 ( -0.000 0.854 0.000) 0.854 2.057 ( 0.000 -1.651 -0.000) 1.651 2.246 ( 0.000 5.787 0.000) 5.787 2.307 ( 0.000 7.694 0.000) 7.694 2.500 ( 0.000 -1.203 0.000) 1.203 2.672 ( -0.000 0.507 0.000) 0.507 2.804 ( -0.000 2.648 -0.000) 2.648 2.850 ( -0.000 4.200 0.000) 4.200 3.169 ( 0.000 11.062 0.000) 11.062 3.478 ( -0.000 0.433 -0.000) 0.433 3.581 ( 0.000 12.758 0.000) 12.758 3.591 ( -0.000 17.812 -0.000) 17.812 4.085 ( -0.000 4.320 0.000) 4.320 4.165 ( -0.000 -0.047 0.000) 0.047 4.400 ( -0.000 -1.915 0.000) 1.915 4.466 ( -0.000 1.774 0.000) 1.774 5.663 ( -0.000 0.085 0.000) 0.085 5.862 ( -0.000 5.116 0.000) 5.116 5.962 ( 0.000 -6.808 0.000) 6.808 6.377 ( 0.000 1.776 0.000) 1.776 6.441 ( -0.000 0.701 0.000) 0.701 6.646 ( -0.000 -14.913 0.000) 14.913 8.762 ( -0.000 7.793 -0.000) 7.793 8.849 ( 0.000 6.358 0.000) 6.358 9.235 ( -0.000 0.759 0.000) 0.759 9.407 ( -0.000 -2.862 0.000) 2.862 10.721 ( -0.000 -2.162 0.000) 2.162 10.932 ( 0.000 3.206 0.000) 3.206 11.301 ( -0.000 2.873 0.000) 2.873 11.373 ( -0.000 -0.378 0.000) 0.378 11.489 ( 0.000 -0.195 0.000) 0.195 12.019 ( 0.000 -5.086 0.000) 5.086 22.005 ( 0.000 5.865 0.000) 5.865 22.392 ( 0.000 0.205 0.000) 0.205 22.571 ( 0.000 -3.189 0.000) 3.189 22.573 ( -0.000 -4.758 0.000) 4.758 22.879 ( -0.000 4.447 0.000) 4.447 22.899 ( 0.000 -0.139 0.000) 0.139 23.057 ( -0.000 2.104 0.000) 2.104 23.606 ( 0.000 -4.076 0.000) 4.076 ======================= Grid point 247 (117/130) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 1.504 7.222 1.966) 7.634 1.113 ( -1.576 1.850 -6.976) 7.387 1.264 ( 0.118 3.745 -2.921) 4.751 1.354 ( 1.870 1.569 0.554) 2.503 1.481 ( 2.167 2.145 -0.981) 3.203 1.588 ( 7.112 0.170 2.774) 7.636 1.712 ( 8.862 2.656 0.208) 9.254 1.804 ( 0.002 2.641 1.601) 3.089 1.905 ( 4.463 -0.393 3.068) 5.430 2.051 ( -0.710 -0.478 0.975) 1.298 2.272 ( 0.990 2.737 -0.017) 2.910 2.313 ( 3.137 5.349 -5.226) 8.110 2.520 ( 2.098 0.923 3.673) 4.330 2.734 ( 4.786 0.569 -2.546) 5.451 2.830 ( 1.691 2.931 -1.896) 3.879 2.862 ( 2.744 3.983 2.529) 5.458 3.163 ( -0.881 8.699 2.597) 9.121 3.436 ( -3.438 2.872 -4.417) 6.291 3.524 ( -3.091 11.217 -2.686) 11.941 3.596 ( -1.553 15.583 2.258) 15.822 4.101 ( 1.260 3.235 1.870) 3.943 4.155 ( -0.975 1.266 3.264) 3.634 4.339 ( -4.380 1.034 -1.891) 4.882 4.521 ( 4.243 -0.919 -0.665) 4.392 5.640 ( -1.915 -0.151 0.169) 1.928 5.868 ( 0.643 5.012 0.075) 5.054 5.955 ( -0.893 -6.901 0.431) 6.972 6.360 ( -1.163 0.411 -0.494) 1.328 6.478 ( 2.534 0.931 -2.845) 3.922 6.624 ( -2.060 -12.667 0.160) 12.835 8.768 ( 0.460 8.260 1.347) 8.381 8.850 ( 0.139 6.652 1.004) 6.729 9.269 ( 2.891 0.161 0.540) 2.945 9.423 ( 1.660 -3.861 -0.526) 4.235 10.722 ( 0.299 -1.224 -0.611) 1.400 10.933 ( 0.251 3.161 -1.434) 3.480 11.279 ( -2.339 4.912 2.116) 5.837 11.375 ( -5.519 -0.239 1.461) 5.714 11.470 ( 5.490 -0.528 -0.255) 5.521 12.070 ( 3.496 -5.802 -3.021) 7.417 22.014 ( 0.759 5.975 1.870) 6.307 22.388 ( -0.338 0.555 -1.064) 1.247 22.520 ( -2.542 -2.888 1.020) 3.980 22.653 ( 5.005 -3.954 -1.106) 6.474 22.862 ( -1.693 4.750 -0.036) 5.042 22.912 ( 1.049 -0.376 -0.319) 1.160 23.022 ( -2.804 1.132 1.730) 3.484 23.580 ( -2.259 -5.096 -0.847) 5.638 ======================= Grid point 248 (118/130) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 3.412 7.149 -2.165) 8.212 1.116 ( 2.634 2.998 -2.516) 4.718 1.263 ( -0.146 3.830 -1.496) 4.114 1.339 ( -2.356 3.334 1.478) 4.342 1.549 ( 3.259 1.989 -1.179) 3.996 1.615 ( -0.382 4.296 -0.280) 4.322 1.796 ( -0.237 2.236 2.248) 3.180 1.905 ( 2.758 3.148 0.308) 4.196 1.987 ( 0.609 2.350 0.798) 2.556 2.030 ( 0.095 -0.796 1.771) 1.944 2.316 ( 3.473 0.136 -1.716) 3.876 2.492 ( 13.100 0.972 0.578) 13.149 2.569 ( 2.621 2.525 0.216) 3.646 2.813 ( 2.453 1.160 -2.684) 3.816 2.875 ( 4.413 5.754 -2.363) 7.626 2.991 ( 7.168 4.006 4.782) 9.502 3.130 ( -2.335 3.312 0.559) 4.091 3.372 ( -1.134 1.710 -4.016) 4.510 3.469 ( -1.487 8.161 -2.243) 8.594 3.537 ( -3.802 13.269 0.994) 13.838 4.100 ( -1.653 1.312 0.872) 2.283 4.163 ( 1.149 4.282 5.334) 6.936 4.247 ( -3.679 2.607 -1.401) 4.721 4.625 ( 5.458 -3.724 -1.240) 6.722 5.597 ( -2.098 -0.770 -0.081) 2.237 5.890 ( 1.313 4.654 0.241) 4.842 5.927 ( -1.660 -6.542 0.342) 6.758 6.330 ( -1.769 -1.535 -0.313) 2.363 6.508 ( 0.208 0.677 -2.887) 2.972 6.567 ( -3.263 -6.812 -0.320) 7.560 8.780 ( 0.491 9.144 1.765) 9.326 8.857 ( 0.435 7.225 1.283) 7.351 9.328 ( 2.271 -0.395 0.266) 2.321 9.480 ( 3.842 -6.520 -0.959) 7.628 10.742 ( 1.811 0.645 -0.713) 2.051 10.944 ( 1.003 3.506 -2.614) 4.487 11.183 ( -6.061 3.602 1.848) 7.289 11.284 ( -2.916 4.903 1.475) 5.892 11.639 ( 9.446 -2.537 0.190) 9.783 12.113 ( 0.493 -5.868 -1.759) 6.145 22.036 ( 1.137 6.383 2.631) 6.997 22.379 ( -0.373 1.386 -1.386) 1.996 22.465 ( -2.724 -1.883 0.790) 3.405 22.726 ( -1.068 5.422 -1.169) 5.649 22.828 ( 0.794 -3.741 0.790) 3.905 22.935 ( 1.022 -1.615 -0.140) 1.916 22.985 ( -0.071 0.249 1.066) 1.097 23.525 ( -2.617 -7.017 -1.019) 7.558 ======================= Grid point 249 (119/130) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 3.596 7.612 -2.201) 8.701 1.192 ( 3.263 3.301 -0.389) 4.658 1.243 ( -1.693 4.053 0.423) 4.413 1.286 ( -2.442 5.573 -0.062) 6.085 1.585 ( 0.904 4.209 -0.098) 4.306 1.644 ( 3.053 4.121 -1.647) 5.387 1.805 ( 1.040 0.804 2.006) 2.399 1.884 ( -2.308 3.597 1.396) 4.496 1.932 ( -4.107 4.605 -0.340) 6.180 2.038 ( -0.852 -2.633 0.020) 2.767 2.385 ( 3.103 1.060 -0.362) 3.299 2.541 ( -2.029 2.313 0.749) 3.167 2.792 ( 9.819 2.425 -0.609) 10.132 2.855 ( 2.292 1.254 -1.473) 3.000 2.948 ( 0.038 4.476 0.290) 4.485 3.082 ( 2.826 3.702 -2.049) 5.088 3.129 ( 2.561 8.347 2.805) 9.170 3.374 ( 0.408 0.968 -4.116) 4.248 3.462 ( -3.042 10.129 0.902) 10.615 3.499 ( 4.272 -1.581 0.698) 4.609 4.065 ( -1.466 1.425 -0.011) 2.045 4.149 ( -1.753 3.899 1.249) 4.453 4.230 ( 1.114 3.542 1.771) 4.114 4.723 ( 3.604 -6.252 -0.880) 7.270 5.558 ( -1.502 -1.335 -0.202) 2.020 5.890 ( -1.411 -8.283 0.318) 8.408 5.922 ( 1.244 6.684 0.126) 6.800 6.294 ( -1.440 -2.572 -0.051) 2.948 6.487 ( -1.570 1.081 -1.670) 2.534 6.501 ( -2.705 -1.531 -0.351) 3.128 8.788 ( 0.180 9.750 1.156) 9.820 8.869 ( 0.478 7.681 0.776) 7.735 9.361 ( 1.012 -0.659 -0.149) 1.217 9.560 ( 3.295 -8.675 -0.682) 9.305 10.792 ( 2.736 1.921 -0.391) 3.366 10.969 ( 1.544 4.457 -2.908) 5.541 11.078 ( -3.953 1.485 0.781) 4.294 11.228 ( -2.696 7.502 2.472) 8.346 11.832 ( 8.784 -3.247 -1.163) 9.437 12.085 ( -3.069 -4.887 0.595) 5.802 22.062 ( 0.981 7.211 1.977) 7.541 22.370 ( -0.591 1.361 -0.031) 1.484 22.422 ( -0.874 -1.275 -1.123) 1.911 22.633 ( -5.178 8.455 0.590) 9.932 22.873 ( 1.663 -5.404 0.270) 5.661 22.945 ( 0.063 -1.434 0.391) 1.487 23.024 ( 2.852 -2.656 -0.518) 3.931 23.479 ( -1.618 -8.037 -0.554) 8.217 ======================= Grid point 250 (120/130) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.000 9.395 0.000) 9.395 1.194 ( -0.000 8.019 0.000) 8.019 1.240 ( 0.000 -2.299 0.000) 2.299 1.257 ( -0.000 6.992 -0.000) 6.992 1.596 ( -0.000 5.059 0.000) 5.059 1.696 ( 0.000 0.979 -0.000) 0.979 1.827 ( -0.000 2.040 -0.000) 2.040 1.858 ( 0.000 4.417 0.000) 4.417 1.864 ( -0.000 5.840 0.000) 5.840 2.020 ( -0.000 -3.607 -0.000) 3.607 2.429 ( 0.000 1.915 0.000) 1.915 2.504 ( -0.000 2.414 -0.000) 2.414 2.882 ( -0.000 2.415 0.000) 2.415 2.897 ( 0.000 2.329 -0.000) 2.329 2.922 ( -0.000 1.293 0.000) 1.293 3.116 ( -0.000 14.009 -0.000) 14.009 3.173 ( -0.000 1.202 0.000) 1.202 3.378 ( 0.000 3.776 -0.000) 3.776 3.427 ( -0.000 8.522 0.000) 8.522 3.559 ( 0.000 -7.290 -0.000) 7.290 4.048 ( -0.000 0.716 0.000) 0.716 4.133 ( -0.000 4.448 0.000) 4.448 4.245 ( 0.000 3.443 0.000) 3.443 4.760 ( -0.000 -7.260 0.000) 7.260 5.541 ( -0.000 -1.566 0.000) 1.566 5.874 ( -0.000 -8.414 0.000) 8.414 5.937 ( 0.000 7.017 0.000) 7.017 6.278 ( -0.000 -2.651 -0.000) 2.651 6.464 ( 0.000 1.723 0.000) 1.723 6.471 ( -0.000 0.031 -0.000) 0.031 8.790 ( 0.000 9.925 -0.000) 9.925 8.875 ( -0.000 7.858 0.000) 7.858 9.371 ( -0.000 -0.731 0.000) 0.731 9.596 ( -0.000 -9.403 0.000) 9.403 10.828 ( 0.000 2.546 0.000) 2.546 10.989 ( -0.000 5.099 0.000) 5.099 11.033 ( -0.000 -0.210 -0.000) 0.210 11.195 ( -0.000 8.590 -0.000) 8.590 11.983 ( 0.000 -7.131 -0.000) 7.131 11.994 ( -0.000 -0.654 0.000) 0.654 22.074 ( -0.000 7.811 0.000) 7.811 22.360 ( -0.000 -0.282 0.000) 0.282 22.421 ( -0.000 0.032 0.000) 0.032 22.569 ( 0.000 8.151 0.000) 8.151 22.889 ( 0.000 -4.521 0.000) 4.521 22.945 ( -0.000 -0.900 0.000) 0.900 23.059 ( -0.000 -4.320 -0.000) 4.320 23.461 ( -0.000 -8.161 0.000) 8.161 ======================= Grid point 255 (121/130) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 4.203 0.000) 4.203 1.139 ( -0.000 -1.061 -0.000) 1.061 1.377 ( 0.000 4.387 0.000) 4.387 1.416 ( 0.000 5.254 0.000) 5.254 1.448 ( -0.000 5.105 0.000) 5.105 1.479 ( 0.000 0.285 0.000) 0.285 1.634 ( -0.000 -0.986 0.000) 0.986 1.822 ( 0.000 1.133 0.000) 1.133 1.836 ( -0.000 -2.661 -0.000) 2.661 1.986 ( 0.000 -5.327 -0.000) 5.327 2.292 ( 0.000 -0.597 -0.000) 0.597 2.326 ( 0.000 -3.006 0.000) 3.006 2.539 ( 0.000 4.151 0.000) 4.151 2.673 ( -0.000 -1.457 0.000) 1.457 2.887 ( -0.000 5.064 0.000) 5.064 2.970 ( -0.000 4.656 0.000) 4.656 3.365 ( 0.000 7.573 0.000) 7.573 3.479 ( 0.000 0.221 -0.000) 0.221 3.847 ( -0.000 11.580 0.000) 11.580 3.894 ( 0.000 10.698 0.000) 10.698 4.149 ( -0.000 2.045 0.000) 2.045 4.177 ( -0.000 1.034 0.000) 1.034 4.400 ( 0.000 1.907 0.000) 1.907 4.502 ( -0.000 0.853 0.000) 0.853 5.666 ( -0.000 0.456 0.000) 0.456 5.817 ( 0.000 -7.035 0.000) 7.035 5.966 ( -0.000 5.343 0.000) 5.343 6.302 ( -0.000 -12.118 0.000) 12.118 6.420 ( 0.000 2.259 0.000) 2.259 6.494 ( -0.000 -1.303 0.000) 1.303 8.893 ( -0.000 4.771 0.000) 4.771 8.943 ( 0.000 2.535 0.000) 2.535 9.266 ( -0.000 2.231 0.000) 2.231 9.357 ( 0.000 -2.116 0.000) 2.116 10.734 ( -0.000 3.118 0.000) 3.118 10.922 ( 0.000 -3.509 0.000) 3.509 11.373 ( -0.000 0.464 0.000) 0.464 11.390 ( 0.000 2.646 0.000) 2.646 11.521 ( 0.000 5.582 0.000) 5.582 11.884 ( 0.000 -8.063 0.000) 8.063 22.135 ( 0.000 6.887 0.000) 6.887 22.391 ( 0.000 -0.654 0.000) 0.654 22.449 ( -0.000 -6.080 0.000) 6.080 22.497 ( 0.000 -3.713 0.000) 3.713 22.900 ( 0.000 0.225 0.000) 0.225 22.915 ( -0.000 -0.080 0.000) 0.080 23.188 ( -0.000 9.043 0.000) 9.043 23.508 ( 0.000 -5.681 0.000) 5.681 ======================= Grid point 257 (122/130) ======================= q-point: ( 0.12 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 1.464 4.103 -4.009) 5.920 1.138 ( -0.297 0.043 -1.850) 1.875 1.373 ( 0.510 2.922 -1.632) 3.385 1.384 ( -1.189 3.805 -0.863) 4.079 1.541 ( 2.974 5.166 0.931) 6.034 1.604 ( 9.264 1.564 3.245) 9.940 1.737 ( 10.205 -0.469 0.301) 10.220 1.843 ( 1.585 1.467 3.036) 3.726 1.870 ( 3.274 -2.235 1.930) 4.409 2.000 ( 1.209 -4.177 0.727) 4.409 2.285 ( 0.128 -0.637 -1.373) 1.519 2.330 ( 1.736 -2.685 -2.458) 4.033 2.573 ( 2.786 3.568 0.064) 4.527 2.710 ( 3.660 -2.526 -0.508) 4.476 2.918 ( 2.509 5.222 1.609) 6.013 2.984 ( 1.687 5.158 0.129) 5.428 3.323 ( -4.166 6.343 1.835) 7.808 3.436 ( -3.618 -0.738 -2.634) 4.536 3.791 ( -4.326 11.645 -1.609) 12.526 3.859 ( -3.841 8.883 0.336) 9.683 4.147 ( 0.123 2.203 0.201) 2.215 4.205 ( 2.099 2.090 2.463) 3.853 4.378 ( -2.095 3.112 -2.002) 4.252 4.514 ( 1.192 -0.459 -0.320) 1.317 5.642 ( -2.005 0.606 -0.098) 2.097 5.799 ( -1.543 -7.124 -0.065) 7.289 5.980 ( 1.108 5.293 0.696) 5.452 6.282 ( -1.652 -9.077 -0.579) 9.244 6.453 ( 2.435 -0.358 -0.366) 2.488 6.499 ( 0.493 -0.956 -0.580) 1.222 8.909 ( 1.334 5.213 2.271) 5.841 8.954 ( 0.964 3.108 1.910) 3.774 9.285 ( 1.703 1.380 -0.569) 2.265 9.360 ( 0.379 -2.358 -0.709) 2.492 10.749 ( 1.498 3.532 -1.182) 4.015 10.934 ( 1.195 -2.819 -2.362) 3.867 11.348 ( -4.565 0.665 2.509) 5.251 11.373 ( -0.051 -0.008 2.419) 2.420 11.536 ( 2.971 8.003 -1.328) 8.639 11.926 ( 3.126 -8.340 -2.564) 9.268 22.144 ( 0.689 6.683 2.105) 7.040 22.391 ( -0.078 -1.541 -0.599) 1.655 22.441 ( -0.330 -2.997 1.076) 3.201 22.549 ( 4.295 -5.206 -0.941) 6.814 22.907 ( 0.582 0.071 -0.165) 0.609 22.915 ( -0.026 0.282 0.019) 0.284 23.136 ( -4.665 8.786 0.611) 9.966 23.465 ( -3.837 -6.325 -0.697) 7.431 ======================= Grid point 258 (123/130) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 2.241 2.915 -3.010) 4.752 1.145 ( 1.299 -0.059 -0.677) 1.466 1.368 ( -0.292 3.727 -0.885) 3.842 1.412 ( 2.752 4.175 0.181) 5.004 1.601 ( 2.993 4.267 -0.142) 5.214 1.685 ( 0.585 2.329 0.050) 2.402 1.831 ( -1.622 1.291 2.518) 3.262 1.938 ( 4.331 1.291 0.142) 4.521 1.964 ( 2.470 -2.739 0.980) 3.816 2.018 ( -0.035 -2.123 1.576) 2.644 2.329 ( 4.901 1.318 -1.652) 5.337 2.472 ( 11.027 -3.435 0.667) 11.569 2.644 ( 4.904 4.462 -0.992) 6.704 2.812 ( 5.473 -2.049 -1.683) 6.082 2.971 ( 2.913 4.312 0.818) 5.268 3.062 ( 4.911 2.611 3.032) 6.335 3.206 ( -5.956 4.466 0.824) 7.490 3.360 ( -2.529 -2.172 -3.784) 5.043 3.690 ( -5.218 10.054 -1.114) 11.382 3.749 ( -6.125 6.774 0.079) 9.133 4.150 ( -0.184 3.590 0.671) 3.657 4.251 ( 1.807 2.455 2.892) 4.202 4.319 ( -2.816 5.489 -1.722) 6.405 4.549 ( 2.144 -3.772 -1.201) 4.502 5.595 ( -2.337 0.805 -0.277) 2.488 5.763 ( -1.842 -7.339 0.100) 7.568 6.008 ( 1.527 5.250 0.781) 5.523 6.245 ( -1.620 -6.198 0.204) 6.409 6.488 ( 0.553 -1.068 -0.024) 1.203 6.508 ( 0.197 -0.580 -2.144) 2.230 8.942 ( 1.406 6.175 3.095) 7.049 8.981 ( 1.248 4.245 2.604) 5.134 9.324 ( 1.812 0.088 -1.102) 2.123 9.377 ( 1.592 -3.425 -1.087) 3.930 10.792 ( 2.683 4.022 -1.513) 5.066 10.964 ( 1.944 -1.752 -3.607) 4.457 11.238 ( -5.375 3.041 2.189) 6.552 11.368 ( -0.862 0.422 2.264) 2.458 11.642 ( 6.641 4.702 -0.249) 8.141 11.975 ( 1.528 -7.704 -2.026) 8.111 22.166 ( 1.294 6.258 3.079) 7.094 22.387 ( -0.317 -3.340 0.255) 3.364 22.436 ( -0.455 2.091 -0.068) 2.141 22.647 ( 4.614 -7.168 -0.863) 8.568 22.895 ( -2.704 3.169 -0.585) 4.206 22.920 ( 0.463 -0.225 0.204) 0.553 23.037 ( -3.352 6.299 0.844) 7.185 23.373 ( -4.298 -7.850 -0.973) 9.002 ======================= Grid point 259 (124/130) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 2.682 1.624 -0.251) 3.145 1.181 ( 1.774 -1.065 -0.032) 2.070 1.368 ( 0.340 6.261 -1.587) 6.468 1.455 ( 0.856 6.663 0.364) 6.728 1.660 ( 2.432 3.652 -0.077) 4.389 1.693 ( 0.828 1.363 0.612) 1.709 1.801 ( -0.999 -0.337 0.556) 1.192 1.917 ( -3.595 -1.645 0.163) 3.957 1.974 ( -0.346 0.393 0.316) 0.611 2.009 ( -1.558 -0.223 -0.233) 1.591 2.441 ( 5.146 4.349 -0.148) 6.740 2.590 ( 0.469 0.993 0.631) 1.267 2.835 ( 10.225 2.054 -0.403) 10.437 2.883 ( 1.518 1.736 0.055) 2.307 3.010 ( -4.743 1.691 1.021) 5.138 3.087 ( 5.056 -2.591 -2.432) 6.180 3.252 ( 7.151 2.537 1.087) 7.665 3.346 ( 1.650 -1.924 -1.710) 3.058 3.571 ( -6.029 6.918 -0.287) 9.181 3.629 ( -5.258 4.821 0.840) 7.182 4.133 ( -1.188 5.295 -0.202) 5.430 4.281 ( 0.766 0.987 0.759) 1.462 4.282 ( -0.536 8.068 0.896) 8.135 4.590 ( 1.641 -6.662 -1.137) 6.954 5.552 ( -1.707 0.884 -0.274) 1.942 5.726 ( -1.528 -7.426 0.110) 7.582 6.042 ( 1.482 5.082 0.557) 5.323 6.222 ( -0.656 -4.146 0.416) 4.218 6.482 ( -0.737 -0.205 0.200) 0.790 6.496 ( -0.983 -0.242 -1.967) 2.212 8.966 ( 0.646 6.976 2.051) 7.300 9.005 ( 0.850 4.992 1.701) 5.341 9.350 ( 0.884 -0.264 -0.979) 1.346 9.419 ( 2.008 -4.923 -0.656) 5.357 10.850 ( 2.750 3.633 -0.903) 4.645 11.000 ( 1.371 -1.911 -3.408) 4.141 11.149 ( -3.054 6.143 1.649) 7.056 11.341 ( -1.638 1.708 1.661) 2.891 11.783 ( 6.364 0.172 -0.225) 6.370 11.981 ( -0.874 -5.588 -0.500) 5.678 22.201 ( 1.717 6.142 2.647) 6.905 22.372 ( -1.351 -2.408 0.499) 2.805 22.430 ( 0.392 3.604 -1.005) 3.762 22.701 ( -0.436 -7.870 -0.164) 7.884 22.818 ( -2.326 6.452 -0.418) 6.871 22.926 ( 0.027 -0.732 0.152) 0.748 23.021 ( 0.678 2.278 0.184) 2.384 23.305 ( -2.057 -8.809 -0.616) 9.067 ======================= Grid point 260 (125/130) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -0.000 0.395 0.000) 0.395 1.202 ( 0.000 -1.322 -0.000) 1.322 1.373 ( -0.000 8.845 0.000) 8.845 1.457 ( -0.000 8.061 0.000) 8.061 1.687 ( -0.000 3.730 0.000) 3.730 1.709 ( 0.000 0.121 -0.000) 0.121 1.795 ( -0.000 -1.971 0.000) 1.971 1.871 ( 0.000 -2.419 -0.000) 2.419 1.970 ( -0.000 -0.684 -0.000) 0.684 1.978 ( 0.000 2.270 0.000) 2.270 2.515 ( 0.000 5.640 0.000) 5.640 2.571 ( -0.000 3.561 -0.000) 3.561 2.907 ( -0.000 0.181 0.000) 0.181 2.918 ( 0.000 0.991 0.000) 0.991 2.964 ( -0.000 2.235 0.000) 2.235 3.156 ( 0.000 -3.912 0.000) 3.912 3.340 ( -0.000 4.982 0.000) 4.982 3.408 ( 0.000 -4.551 -0.000) 4.551 3.476 ( 0.000 6.385 -0.000) 6.385 3.557 ( -0.000 3.066 0.000) 3.066 4.119 ( -0.000 6.104 0.000) 6.104 4.276 ( -0.000 8.460 0.000) 8.460 4.293 ( 0.000 0.718 0.000) 0.718 4.607 ( -0.000 -7.635 0.000) 7.635 5.532 ( -0.000 0.876 0.000) 0.876 5.709 ( -0.000 -7.439 -0.000) 7.439 6.059 ( -0.000 4.997 0.000) 4.997 6.216 ( -0.000 -3.293 0.000) 3.293 6.472 ( -0.000 0.094 0.000) 0.094 6.481 ( -0.000 0.093 -0.000) 0.093 8.974 ( -0.000 7.266 -0.000) 7.266 9.015 ( -0.000 5.186 0.000) 5.186 9.360 ( -0.000 -0.279 0.000) 0.279 9.441 ( -0.000 -5.517 -0.000) 5.517 10.884 ( -0.000 3.065 0.000) 3.065 11.008 ( -0.000 -2.164 -0.000) 2.164 11.121 ( -0.000 7.530 0.000) 7.530 11.321 ( -0.000 2.306 0.000) 2.306 11.866 ( -0.000 -2.969 -0.000) 2.969 11.956 ( -0.000 -3.085 0.000) 3.085 22.226 ( -0.000 6.544 0.000) 6.544 22.350 ( -0.000 -0.807 0.000) 0.807 22.440 ( -0.000 2.334 0.000) 2.334 22.672 ( -0.000 -3.225 0.000) 3.225 22.808 ( -0.000 2.164 0.000) 2.164 22.925 ( -0.000 -1.143 0.000) 1.143 23.032 ( -0.000 1.382 0.000) 1.382 23.285 ( -0.000 -8.847 0.000) 8.847 ======================= Grid point 265 (126/130) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -0.000 -1.847 0.000) 1.847 1.112 ( 0.000 1.847 -0.000) 1.847 1.432 ( -0.000 -0.442 -0.000) 0.442 1.432 ( -0.000 0.442 0.000) 0.442 1.506 ( 0.000 -2.322 0.000) 2.322 1.506 ( -0.000 2.322 -0.000) 2.322 1.732 ( 0.000 -8.293 0.000) 8.293 1.732 ( -0.000 8.293 -0.000) 8.293 1.868 ( -0.000 -4.230 0.000) 4.230 1.868 ( -0.000 4.230 -0.000) 4.230 2.282 ( -0.000 -0.549 0.000) 0.549 2.282 ( 0.000 0.549 0.000) 0.549 2.621 ( -0.000 -3.439 0.000) 3.439 2.621 ( 0.000 3.439 0.000) 3.439 2.980 ( -0.000 -3.089 -0.000) 3.089 2.980 ( 0.000 3.089 0.000) 3.089 3.466 ( -0.000 -2.339 0.000) 2.339 3.466 ( -0.000 2.339 0.000) 2.339 3.990 ( 0.000 -1.522 0.000) 1.522 3.990 ( -0.000 1.522 0.000) 1.522 4.182 ( -0.000 -1.030 0.000) 1.030 4.182 ( 0.000 1.030 0.000) 1.030 4.470 ( -0.000 -3.812 0.000) 3.812 4.470 ( 0.000 3.812 0.000) 3.812 5.702 ( 0.000 -3.665 0.000) 3.665 5.702 ( -0.000 3.665 0.000) 3.665 6.096 ( -0.000 -7.899 0.000) 7.899 6.096 ( 0.000 7.899 0.000) 7.899 6.464 ( -0.000 -1.920 0.000) 1.920 6.464 ( 0.000 1.920 0.000) 1.920 8.954 ( 0.000 -1.268 0.000) 1.268 8.954 ( -0.000 1.268 0.000) 1.268 9.314 ( 0.000 -2.237 0.000) 2.237 9.314 ( -0.000 2.237 0.000) 2.237 10.826 ( 0.000 -5.253 0.000) 5.253 10.826 ( -0.000 5.253 0.000) 5.253 11.390 ( 0.000 -1.048 0.000) 1.048 11.390 ( -0.000 1.048 0.000) 1.048 11.698 ( -0.000 -9.788 0.000) 9.788 11.698 ( 0.000 9.788 0.000) 9.788 22.282 ( -0.000 -7.390 0.000) 7.390 22.282 ( 0.000 7.390 0.000) 7.390 22.434 ( 0.000 -2.181 0.000) 2.181 22.434 ( -0.000 2.181 0.000) 2.181 22.907 ( -0.000 -0.441 0.000) 0.441 22.907 ( 0.000 0.441 0.000) 0.441 23.368 ( 0.000 -8.066 0.000) 8.066 23.368 ( -0.000 8.066 0.000) 8.066 ======================= Grid point 269 (127/130) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.568 -1.834 -3.483) 3.977 1.118 ( 0.568 1.834 -3.483) 3.977 1.408 ( -0.243 -1.167 -0.093) 1.196 1.408 ( -0.243 1.167 -0.093) 1.196 1.637 ( 6.372 -0.781 2.339) 6.832 1.637 ( 6.372 0.781 2.339) 6.832 1.771 ( 6.075 -6.041 0.111) 8.568 1.771 ( 6.075 6.041 0.111) 8.568 1.905 ( 2.529 -3.978 2.425) 5.301 1.905 ( 2.529 3.978 2.425) 5.301 2.283 ( 1.062 -1.026 -1.688) 2.242 2.283 ( 1.062 1.026 -1.688) 2.242 2.647 ( 2.683 -3.500 -0.807) 4.483 2.647 ( 2.683 3.500 -0.807) 4.483 3.008 ( 2.355 -2.569 1.638) 3.851 3.008 ( 2.355 2.569 1.638) 3.851 3.410 ( -5.009 -2.334 -0.294) 5.534 3.410 ( -5.009 2.334 -0.294) 5.534 3.933 ( -4.976 -1.701 -0.703) 5.305 3.933 ( -4.976 1.701 -0.703) 5.305 4.200 ( 1.516 -2.345 -0.025) 2.792 4.200 ( 1.516 2.345 -0.025) 2.792 4.467 ( -0.393 -4.368 -0.507) 4.415 4.467 ( -0.393 4.368 -0.507) 4.415 5.682 ( -1.688 -3.786 -0.246) 4.152 5.682 ( -1.688 3.786 -0.246) 4.152 6.105 ( 0.613 -7.324 0.683) 7.381 6.105 ( 0.613 7.324 0.683) 7.381 6.475 ( 0.943 -1.480 -0.642) 1.869 6.475 ( 0.943 1.480 -0.642) 1.869 8.974 ( 1.645 -1.128 2.548) 3.236 8.974 ( 1.645 1.128 2.548) 3.236 9.319 ( 0.540 -1.837 -1.082) 2.199 9.319 ( 0.540 1.837 -1.082) 2.199 10.845 ( 1.808 -5.223 -1.941) 5.858 10.845 ( 1.808 5.223 -1.941) 5.858 11.360 ( -2.426 -0.850 2.343) 3.478 11.360 ( -2.426 0.850 2.343) 3.478 11.735 ( 3.040 -10.147 -1.708) 10.729 11.735 ( 3.040 10.147 -1.708) 10.729 22.283 ( 0.006 -6.796 1.713) 7.009 22.283 ( 0.006 6.796 1.713) 7.009 22.462 ( 2.501 -3.140 -0.766) 4.087 22.462 ( 2.501 3.140 -0.766) 4.087 22.912 ( 0.370 -0.312 0.006) 0.484 22.912 ( 0.370 0.312 0.006) 0.484 23.316 ( -4.658 -8.270 -0.228) 9.495 23.316 ( -4.658 8.270 -0.228) 9.495 ======================= Grid point 271 (128/130) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 1.237 -1.045 -1.414) 2.149 1.133 ( 1.237 1.045 -1.414) 2.149 1.427 ( 1.928 -2.036 -0.505) 2.849 1.427 ( 1.928 2.036 -0.505) 2.849 1.695 ( 1.274 -2.290 -0.159) 2.625 1.695 ( 1.274 2.290 -0.159) 2.625 1.882 ( -0.210 -4.498 1.696) 4.811 1.882 ( -0.210 4.498 1.696) 4.811 1.971 ( 3.515 -1.936 1.101) 4.161 1.971 ( 3.515 1.936 1.101) 4.161 2.383 ( 8.722 -4.095 -0.994) 9.687 2.383 ( 8.722 4.095 -0.994) 9.687 2.738 ( 6.503 -4.531 -1.064) 7.996 2.738 ( 6.503 4.531 -1.064) 7.996 3.056 ( 1.082 -3.046 3.321) 4.635 3.056 ( 1.082 3.046 3.321) 4.635 3.297 ( -4.119 -3.943 -1.758) 5.966 3.297 ( -4.119 3.943 -1.758) 5.966 3.806 ( -6.795 -1.194 -0.824) 6.948 3.806 ( -6.795 1.194 -0.824) 6.948 4.231 ( 1.198 -3.448 0.251) 3.658 4.231 ( 1.198 3.448 0.251) 3.658 4.454 ( -0.627 -6.074 -0.652) 6.141 4.454 ( -0.627 6.074 -0.652) 6.141 5.642 ( -2.016 -4.108 -0.220) 4.582 5.642 ( -2.016 4.108 -0.220) 4.582 6.118 ( 0.651 -5.808 0.969) 5.924 6.118 ( 0.651 5.808 0.969) 5.924 6.491 ( 0.430 -0.835 -1.111) 1.455 6.491 ( 0.430 0.835 -1.111) 1.455 9.016 ( 1.899 -0.919 3.649) 4.215 9.016 ( 1.899 0.919 3.649) 4.215 9.335 ( 1.079 -1.052 -1.788) 2.339 9.335 ( 1.079 1.052 -1.788) 2.339 10.889 ( 2.436 -4.930 -2.692) 6.123 10.889 ( 2.436 4.930 -2.692) 6.123 11.314 ( -1.973 -4.053 2.260) 5.043 11.314 ( -1.973 4.053 2.260) 5.043 11.801 ( 3.231 -9.091 -1.186) 9.721 11.801 ( 3.231 9.091 -1.186) 9.721 22.288 ( 0.428 -5.607 2.307) 6.078 22.288 ( 0.428 5.607 2.307) 6.078 22.516 ( 2.312 -5.350 -0.854) 5.890 22.516 ( 2.312 5.350 -0.854) 5.890 22.917 ( -0.024 -0.236 -0.040) 0.241 22.917 ( -0.024 0.236 -0.040) 0.241 23.204 ( -5.249 -8.696 -0.415) 10.166 23.204 ( -5.249 8.696 -0.415) 10.166 ======================= Grid point 273 (129/130) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 1.682 -0.549 0.071) 1.771 1.165 ( 1.682 0.549 0.071) 1.771 1.478 ( 2.630 -3.486 -0.370) 4.382 1.478 ( 2.630 3.486 -0.370) 4.382 1.713 ( 0.508 -0.076 -0.423) 0.665 1.713 ( 0.508 0.076 -0.423) 0.665 1.835 ( -2.863 -4.458 1.036) 5.398 1.835 ( -2.863 4.458 1.036) 5.398 1.995 ( -0.638 -1.103 -0.278) 1.304 1.995 ( -0.638 1.103 -0.278) 1.304 2.544 ( 5.464 -4.822 0.046) 7.288 2.544 ( 5.464 4.822 0.046) 7.288 2.889 ( 5.765 -2.142 -0.392) 6.163 2.889 ( 5.765 2.142 -0.392) 6.163 3.030 ( -1.891 -1.342 0.424) 2.358 3.030 ( -1.891 1.342 0.424) 2.358 3.302 ( 3.973 -2.537 -0.016) 4.714 3.302 ( 3.973 2.537 -0.016) 4.714 3.663 ( -6.712 -1.458 -0.475) 6.885 3.663 ( -6.712 1.458 -0.475) 6.885 4.246 ( 0.291 -4.400 0.525) 4.441 4.246 ( 0.291 4.400 0.525) 4.441 4.447 ( 0.054 -7.579 -0.593) 7.602 4.447 ( 0.054 7.579 -0.593) 7.602 5.603 ( -1.592 -4.351 -0.136) 4.635 5.603 ( -1.592 4.351 -0.136) 4.635 6.135 ( 0.820 -4.301 0.707) 4.435 6.135 ( 0.820 4.301 0.707) 4.435 6.486 ( -0.628 -0.504 -0.892) 1.202 6.486 ( -0.628 0.504 -0.892) 1.202 9.050 ( 1.028 -0.933 2.483) 2.845 9.050 ( 1.028 0.933 2.483) 2.845 9.358 ( 1.115 -1.322 -1.301) 2.164 9.358 ( 1.115 1.322 -1.301) 2.164 10.932 ( 1.741 -4.106 -1.879) 4.840 10.932 ( 1.741 4.106 -1.879) 4.840 11.283 ( -1.183 -6.029 1.193) 6.258 11.283 ( -1.183 6.029 1.193) 6.258 11.858 ( 2.158 -5.965 -0.322) 6.351 11.858 ( 2.158 5.965 -0.322) 6.351 22.305 ( 0.945 -4.100 1.820) 4.584 22.305 ( 0.945 4.100 1.820) 4.584 22.540 ( 0.038 -6.986 -0.720) 7.023 22.540 ( 0.038 6.986 -0.720) 7.023 22.904 ( -1.111 -1.879 -0.105) 2.186 22.904 ( -1.111 1.879 -0.105) 2.186 23.131 ( -1.672 -7.865 -0.307) 8.047 23.131 ( -1.672 7.865 -0.307) 8.047 ======================= Grid point 275 (130/130) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -0.000 -0.311 0.000) 0.311 1.186 ( -0.000 0.311 0.000) 0.311 1.512 ( -0.000 -3.221 0.000) 3.221 1.512 ( 0.000 3.221 0.000) 3.221 1.715 ( -0.000 -0.890 0.000) 0.890 1.715 ( -0.000 0.890 0.000) 0.890 1.802 ( -0.000 -3.224 0.000) 3.224 1.802 ( -0.000 3.224 0.000) 3.224 1.981 ( -0.000 -0.999 0.000) 0.999 1.981 ( -0.000 0.999 0.000) 0.999 2.602 ( -0.000 -1.639 0.000) 1.639 2.602 ( -0.000 1.639 0.000) 1.639 2.919 ( -0.000 -0.723 0.000) 0.723 2.919 ( -0.000 0.723 0.000) 0.723 3.038 ( -0.000 -5.590 0.000) 5.590 3.038 ( -0.000 5.590 0.000) 5.590 3.373 ( -0.000 -0.272 0.000) 0.272 3.373 ( -0.000 0.272 0.000) 0.272 3.570 ( -0.000 -1.884 0.000) 1.884 3.570 ( -0.000 1.884 0.000) 1.884 4.249 ( -0.000 -5.037 0.000) 5.037 4.249 ( -0.000 5.037 0.000) 5.037 4.449 ( -0.000 -8.059 0.000) 8.059 4.449 ( -0.000 8.059 0.000) 8.059 5.585 ( -0.000 -4.417 0.000) 4.417 5.585 ( -0.000 4.417 0.000) 4.417 6.146 ( -0.000 -3.678 0.000) 3.678 6.146 ( -0.000 3.678 0.000) 3.678 6.477 ( -0.000 -0.342 0.000) 0.342 6.477 ( -0.000 0.342 0.000) 0.342 9.062 ( -0.000 -1.015 0.000) 1.015 9.062 ( -0.000 1.015 0.000) 1.015 9.370 ( -0.000 -1.684 0.000) 1.684 9.370 ( -0.000 1.684 0.000) 1.684 10.950 ( -0.000 -3.253 0.000) 3.253 10.950 ( 0.000 3.253 0.000) 3.253 11.271 ( -0.000 -6.202 0.000) 6.202 11.271 ( -0.000 6.202 0.000) 6.202 11.881 ( -0.000 -3.443 0.000) 3.443 11.881 ( -0.000 3.443 0.000) 3.443 22.319 ( -0.000 -2.579 0.000) 2.579 22.319 ( -0.000 2.579 0.000) 2.579 22.534 ( -0.000 -6.783 0.000) 6.783 22.534 ( -0.000 6.783 0.000) 6.783 22.889 ( 0.000 -2.852 -0.000) 2.852 22.889 ( -0.000 2.852 0.000) 2.852 23.118 ( -0.000 -6.903 0.000) 6.903 23.118 ( -0.000 6.903 0.000) 6.903 =================== 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 3/18432 10.0 31.116 36.736 31.562 0.000 -0.188 0.000 3/18432 20.0 9.417 11.095 8.159 0.000 0.324 0.000 3/18432 30.0 4.980 5.790 4.217 0.000 0.157 0.000 3/18432 40.0 3.345 3.862 2.799 0.000 0.089 0.000 3/18432 50.0 2.523 2.913 2.092 0.000 0.060 0.000 3/18432 60.0 2.030 2.352 1.670 0.000 0.046 0.000 3/18432 70.0 1.703 1.983 1.393 0.000 0.037 0.000 3/18432 80.0 1.470 1.722 1.197 0.000 0.031 0.000 3/18432 90.0 1.297 1.528 1.051 0.000 0.026 0.000 3/18432 100.0 1.164 1.378 0.940 0.000 0.022 0.000 3/18432 110.0 1.057 1.259 0.851 0.000 0.019 0.000 3/18432 120.0 0.971 1.162 0.779 0.000 0.016 0.000 3/18432 130.0 0.899 1.081 0.719 0.000 0.014 0.000 3/18432 140.0 0.838 1.013 0.669 0.000 0.013 0.000 3/18432 150.0 0.785 0.955 0.626 0.000 0.011 0.000 3/18432 160.0 0.740 0.904 0.589 0.000 0.010 0.000 3/18432 170.0 0.700 0.860 0.556 0.000 0.009 0.000 3/18432 180.0 0.665 0.822 0.527 0.000 0.008 0.000 3/18432 190.0 0.633 0.787 0.502 0.000 0.007 0.000 3/18432 200.0 0.604 0.756 0.479 0.000 0.007 0.000 3/18432 210.0 0.579 0.728 0.458 0.000 0.006 0.000 3/18432 220.0 0.555 0.703 0.439 0.000 0.006 0.000 3/18432 230.0 0.534 0.680 0.422 0.000 0.006 0.000 3/18432 240.0 0.514 0.659 0.406 0.000 0.005 0.000 3/18432 250.0 0.496 0.640 0.391 0.000 0.005 0.000 3/18432 260.0 0.479 0.622 0.378 0.000 0.005 0.000 3/18432 270.0 0.463 0.605 0.365 0.000 0.005 0.000 3/18432 280.0 0.448 0.589 0.354 0.000 0.004 0.000 3/18432 290.0 0.435 0.574 0.343 0.000 0.004 0.000 3/18432 300.0 0.422 0.560 0.333 0.000 0.004 0.000 3/18432 310.0 0.410 0.547 0.323 0.000 0.004 0.000 3/18432 320.0 0.398 0.535 0.314 0.000 0.004 0.000 3/18432 330.0 0.388 0.523 0.306 0.000 0.004 0.000 3/18432 340.0 0.377 0.512 0.298 0.000 0.004 0.000 3/18432 350.0 0.368 0.501 0.290 0.000 0.004 0.000 3/18432 360.0 0.359 0.491 0.283 0.000 0.004 0.000 3/18432 370.0 0.350 0.481 0.276 0.000 0.003 0.000 3/18432 380.0 0.342 0.471 0.270 0.000 0.003 0.000 3/18432 390.0 0.334 0.462 0.264 0.000 0.003 0.000 3/18432 400.0 0.327 0.453 0.258 0.000 0.003 0.000 3/18432 410.0 0.319 0.445 0.252 0.000 0.003 0.000 3/18432 420.0 0.312 0.437 0.247 0.000 0.003 0.000 3/18432 430.0 0.306 0.429 0.242 0.000 0.003 0.000 3/18432 440.0 0.300 0.422 0.237 0.000 0.003 0.000 3/18432 450.0 0.294 0.414 0.232 0.000 0.003 0.000 3/18432 460.0 0.288 0.407 0.227 0.000 0.003 0.000 3/18432 470.0 0.282 0.400 0.223 0.000 0.003 0.000 3/18432 480.0 0.277 0.394 0.219 0.000 0.003 0.000 3/18432 490.0 0.272 0.387 0.215 0.000 0.003 0.000 3/18432 500.0 0.267 0.381 0.211 0.000 0.003 0.000 3/18432 510.0 0.262 0.375 0.207 0.000 0.003 0.000 3/18432 520.0 0.257 0.369 0.203 0.000 0.003 0.000 3/18432 530.0 0.253 0.364 0.200 0.000 0.003 0.000 3/18432 540.0 0.249 0.358 0.196 0.000 0.003 0.000 3/18432 550.0 0.244 0.353 0.193 0.000 0.003 0.000 3/18432 560.0 0.240 0.348 0.190 0.000 0.002 0.000 3/18432 570.0 0.236 0.343 0.187 0.000 0.002 0.000 3/18432 580.0 0.233 0.338 0.184 0.000 0.002 0.000 3/18432 590.0 0.229 0.333 0.181 0.000 0.002 0.000 3/18432 600.0 0.226 0.328 0.178 0.000 0.002 0.000 3/18432 610.0 0.222 0.324 0.176 0.000 0.002 0.000 3/18432 620.0 0.219 0.319 0.173 0.000 0.002 0.000 3/18432 630.0 0.215 0.315 0.170 0.000 0.002 0.000 3/18432 640.0 0.212 0.311 0.168 0.000 0.002 0.000 3/18432 650.0 0.209 0.307 0.165 0.000 0.002 0.000 3/18432 660.0 0.206 0.303 0.163 0.000 0.002 0.000 3/18432 670.0 0.203 0.299 0.161 0.000 0.002 0.000 3/18432 680.0 0.201 0.295 0.159 0.000 0.002 0.000 3/18432 690.0 0.198 0.291 0.156 0.000 0.002 0.000 3/18432 700.0 0.195 0.288 0.154 0.000 0.002 0.000 3/18432 710.0 0.193 0.284 0.152 0.000 0.002 0.000 3/18432 720.0 0.190 0.281 0.150 0.000 0.002 0.000 3/18432 730.0 0.188 0.277 0.148 0.000 0.002 0.000 3/18432 740.0 0.185 0.274 0.146 0.000 0.002 0.000 3/18432 750.0 0.183 0.271 0.145 0.000 0.002 0.000 3/18432 760.0 0.181 0.268 0.143 0.000 0.002 0.000 3/18432 770.0 0.178 0.265 0.141 0.000 0.002 0.000 3/18432 780.0 0.176 0.262 0.139 0.000 0.002 0.000 3/18432 790.0 0.174 0.259 0.138 0.000 0.002 0.000 3/18432 800.0 0.172 0.256 0.136 0.000 0.002 0.000 3/18432 810.0 0.170 0.253 0.134 0.000 0.002 0.000 3/18432 820.0 0.168 0.250 0.133 0.000 0.002 0.000 3/18432 830.0 0.166 0.247 0.131 0.000 0.002 0.000 3/18432 840.0 0.164 0.245 0.130 0.000 0.002 0.000 3/18432 850.0 0.162 0.242 0.128 0.000 0.002 0.000 3/18432 860.0 0.161 0.240 0.127 0.000 0.002 0.000 3/18432 870.0 0.159 0.237 0.126 0.000 0.002 0.000 3/18432 880.0 0.157 0.235 0.124 0.000 0.002 0.000 3/18432 890.0 0.155 0.232 0.123 0.000 0.002 0.000 3/18432 900.0 0.154 0.230 0.122 0.000 0.002 0.000 3/18432 910.0 0.152 0.228 0.120 0.000 0.002 0.000 3/18432 920.0 0.151 0.225 0.119 0.000 0.002 0.000 3/18432 930.0 0.149 0.223 0.118 0.000 0.002 0.000 3/18432 940.0 0.148 0.221 0.117 0.000 0.002 0.000 3/18432 950.0 0.146 0.219 0.115 0.000 0.002 0.000 3/18432 960.0 0.145 0.217 0.114 0.000 0.001 0.000 3/18432 970.0 0.143 0.215 0.113 0.000 0.001 0.000 3/18432 980.0 0.142 0.213 0.112 0.000 0.001 0.000 3/18432 990.0 0.140 0.211 0.111 0.000 0.001 0.000 3/18432 1000.0 0.139 0.209 0.110 0.000 0.001 0.000 3/18432 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:53:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|