----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:51:33]------------------------- 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 6.114355310109842 0.000000000000000 0.000000000000000 b 0.000000000000000 7.269320880000000 0.000000000000000 c -1.993189585729539 0.000000000000000 8.600855287513571 Atomic positions (fractional): *1 K 0.74993927459453 0.75000000000000 0.95284891494860 39.098 2 K 0.25006072540547 0.25000000000000 0.04715108505140 39.098 *3 Cu 0.12483580816634 0.25000000000000 0.60951216570047 63.546 4 Cu 0.87516419183366 0.75000000000000 0.39048783429953 63.546 *5 Se 0.73483202496340 0.25000000000000 0.63508449362330 78.960 6 Se 0.26516797503660 0.75000000000000 0.36491550637670 78.960 *7 Se 0.70311694313349 0.25000000000000 0.89828286546414 78.960 8 Se 0.29688305686651 0.75000000000000 0.10171713453586 78.960 *9 Se 0.03323103120373 0.75000000000000 0.65903424354059 78.960 10 Se 0.96676896879627 0.25000000000000 0.34096575645941 78.960 *11 Se 0.32114147964805 0.98874400007795 0.72313395168915 78.960 12 Se 0.67885852035195 0.48874400007795 0.27686604831085 78.960 13 Se 0.67885852035195 0.01125599992205 0.27686604831085 78.960 14 Se 0.32114147964805 0.51125599992205 0.72313395168915 78.960 *15 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 16 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.114355310109842 0.000000000000000 0.000000000000000 b 0.000000000000000 7.269320880000000 0.000000000000000 c -1.993189585729539 0.000000000000000 8.600855287513571 Atomic positions (fractional): *1 K 0.74993927459453 0.75000000000000 0.95284891494860 39.098 > 1 2 K 0.25006072540547 0.25000000000000 0.04715108505140 39.098 > 2 *3 Cu 0.12483580816634 0.25000000000000 0.60951216570047 63.546 > 3 4 Cu 0.87516419183366 0.75000000000000 0.39048783429953 63.546 > 4 *5 Se 0.73483202496340 0.25000000000000 0.63508449362330 78.960 > 5 6 Se 0.26516797503660 0.75000000000000 0.36491550637670 78.960 > 6 *7 Se 0.70311694313349 0.25000000000000 0.89828286546414 78.960 > 7 8 Se 0.29688305686651 0.75000000000000 0.10171713453586 78.960 > 8 *9 Se 0.03323103120373 0.75000000000000 0.65903424354059 78.960 > 9 10 Se 0.96676896879627 0.25000000000000 0.34096575645941 78.960 > 10 *11 Se 0.32114147964805 0.98874400007795 0.72313395168915 78.960 > 11 12 Se 0.67885852035195 0.48874400007795 0.27686604831085 78.960 > 12 13 Se 0.67885852035195 0.01125599992205 0.27686604831085 78.960 > 13 14 Se 0.32114147964805 0.51125599992205 0.72313395168915 78.960 > 14 *15 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 15 16 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.228710620219683 0.000000000000000 0.000000000000000 b 0.000000000000000 14.538641760000001 0.000000000000000 c -3.986379171459078 0.000000000000000 17.201710575027143 Atomic positions (fractional): *1 K 0.37496963729727 0.37500000000000 0.47642445747430 39.098 > 1 2 K 0.87496963729727 0.37500000000000 0.47642445747430 39.098 > 1 3 K 0.37496963729727 0.87500000000000 0.47642445747430 39.098 > 1 4 K 0.87496963729727 0.87500000000000 0.47642445747430 39.098 > 1 5 K 0.37496963729727 0.37500000000000 0.97642445747430 39.098 > 1 6 K 0.87496963729727 0.37500000000000 0.97642445747430 39.098 > 1 7 K 0.37496963729727 0.87500000000000 0.97642445747430 39.098 > 1 8 K 0.87496963729727 0.87500000000000 0.97642445747430 39.098 > 1 9 K 0.12503036270273 0.12500000000000 0.02357554252570 39.098 > 2 10 K 0.62503036270273 0.12500000000000 0.02357554252570 39.098 > 2 11 K 0.12503036270273 0.62500000000000 0.02357554252570 39.098 > 2 12 K 0.62503036270273 0.62500000000000 0.02357554252570 39.098 > 2 13 K 0.12503036270273 0.12500000000000 0.52357554252570 39.098 > 2 14 K 0.62503036270273 0.12500000000000 0.52357554252570 39.098 > 2 15 K 0.12503036270273 0.62500000000000 0.52357554252570 39.098 > 2 16 K 0.62503036270273 0.62500000000000 0.52357554252570 39.098 > 2 *17 Cu 0.06241790408317 0.12500000000000 0.30475608285024 63.546 > 3 18 Cu 0.56241790408317 0.12500000000000 0.30475608285024 63.546 > 3 19 Cu 0.06241790408317 0.62500000000000 0.30475608285024 63.546 > 3 20 Cu 0.56241790408317 0.62500000000000 0.30475608285024 63.546 > 3 21 Cu 0.06241790408317 0.12500000000000 0.80475608285024 63.546 > 3 22 Cu 0.56241790408317 0.12500000000000 0.80475608285024 63.546 > 3 23 Cu 0.06241790408317 0.62500000000000 0.80475608285024 63.546 > 3 24 Cu 0.56241790408317 0.62500000000000 0.80475608285024 63.546 > 3 25 Cu 0.43758209591683 0.37500000000000 0.19524391714976 63.546 > 4 26 Cu 0.93758209591683 0.37500000000000 0.19524391714976 63.546 > 4 27 Cu 0.43758209591683 0.87500000000000 0.19524391714976 63.546 > 4 28 Cu 0.93758209591683 0.87500000000000 0.19524391714976 63.546 > 4 29 Cu 0.43758209591683 0.37500000000000 0.69524391714976 63.546 > 4 30 Cu 0.93758209591683 0.37500000000000 0.69524391714976 63.546 > 4 31 Cu 0.43758209591683 0.87500000000000 0.69524391714976 63.546 > 4 32 Cu 0.93758209591683 0.87500000000000 0.69524391714976 63.546 > 4 *33 Se 0.36741601248170 0.12500000000000 0.31754224681165 78.960 > 5 34 Se 0.86741601248170 0.12500000000000 0.31754224681165 78.960 > 5 35 Se 0.36741601248170 0.62500000000000 0.31754224681165 78.960 > 5 36 Se 0.86741601248170 0.62500000000000 0.31754224681165 78.960 > 5 37 Se 0.36741601248170 0.12500000000000 0.81754224681165 78.960 > 5 38 Se 0.86741601248170 0.12500000000000 0.81754224681165 78.960 > 5 39 Se 0.36741601248170 0.62500000000000 0.81754224681165 78.960 > 5 40 Se 0.86741601248170 0.62500000000000 0.81754224681165 78.960 > 5 41 Se 0.13258398751830 0.37500000000000 0.18245775318835 78.960 > 6 42 Se 0.63258398751830 0.37500000000000 0.18245775318835 78.960 > 6 43 Se 0.13258398751830 0.87500000000000 0.18245775318835 78.960 > 6 44 Se 0.63258398751830 0.87500000000000 0.18245775318835 78.960 > 6 45 Se 0.13258398751830 0.37500000000000 0.68245775318835 78.960 > 6 46 Se 0.63258398751830 0.37500000000000 0.68245775318835 78.960 > 6 47 Se 0.13258398751830 0.87500000000000 0.68245775318835 78.960 > 6 48 Se 0.63258398751830 0.87500000000000 0.68245775318835 78.960 > 6 *49 Se 0.35155847156675 0.12500000000000 0.44914143273207 78.960 > 7 50 Se 0.85155847156675 0.12500000000000 0.44914143273207 78.960 > 7 51 Se 0.35155847156675 0.62500000000000 0.44914143273207 78.960 > 7 52 Se 0.85155847156675 0.62500000000000 0.44914143273207 78.960 > 7 53 Se 0.35155847156675 0.12500000000000 0.94914143273207 78.960 > 7 54 Se 0.85155847156675 0.12500000000000 0.94914143273207 78.960 > 7 55 Se 0.35155847156675 0.62500000000000 0.94914143273207 78.960 > 7 56 Se 0.85155847156675 0.62500000000000 0.94914143273207 78.960 > 7 57 Se 0.14844152843325 0.37500000000000 0.05085856726793 78.960 > 8 58 Se 0.64844152843325 0.37500000000000 0.05085856726793 78.960 > 8 59 Se 0.14844152843325 0.87500000000000 0.05085856726793 78.960 > 8 60 Se 0.64844152843325 0.87500000000000 0.05085856726793 78.960 > 8 61 Se 0.14844152843325 0.37500000000000 0.55085856726793 78.960 > 8 62 Se 0.64844152843325 0.37500000000000 0.55085856726793 78.960 > 8 63 Se 0.14844152843325 0.87500000000000 0.55085856726793 78.960 > 8 64 Se 0.64844152843325 0.87500000000000 0.55085856726793 78.960 > 8 *65 Se 0.01661551560187 0.37500000000000 0.32951712177030 78.960 > 9 66 Se 0.51661551560187 0.37500000000000 0.32951712177030 78.960 > 9 67 Se 0.01661551560187 0.87500000000000 0.32951712177030 78.960 > 9 68 Se 0.51661551560187 0.87500000000000 0.32951712177030 78.960 > 9 69 Se 0.01661551560187 0.37500000000000 0.82951712177030 78.960 > 9 70 Se 0.51661551560187 0.37500000000000 0.82951712177030 78.960 > 9 71 Se 0.01661551560187 0.87500000000000 0.82951712177030 78.960 > 9 72 Se 0.51661551560187 0.87500000000000 0.82951712177030 78.960 > 9 73 Se 0.48338448439813 0.12500000000000 0.17048287822970 78.960 > 10 74 Se 0.98338448439813 0.12500000000000 0.17048287822970 78.960 > 10 75 Se 0.48338448439813 0.62500000000000 0.17048287822970 78.960 > 10 76 Se 0.98338448439813 0.62500000000000 0.17048287822970 78.960 > 10 77 Se 0.48338448439813 0.12500000000000 0.67048287822970 78.960 > 10 78 Se 0.98338448439813 0.12500000000000 0.67048287822970 78.960 > 10 79 Se 0.48338448439813 0.62500000000000 0.67048287822970 78.960 > 10 80 Se 0.98338448439813 0.62500000000000 0.67048287822970 78.960 > 10 *81 Se 0.16057073982403 0.49437200003898 0.36156697584458 78.960 > 11 82 Se 0.66057073982403 0.49437200003898 0.36156697584458 78.960 > 11 83 Se 0.16057073982403 0.99437200003898 0.36156697584458 78.960 > 11 84 Se 0.66057073982403 0.99437200003898 0.36156697584458 78.960 > 11 85 Se 0.16057073982403 0.49437200003898 0.86156697584458 78.960 > 11 86 Se 0.66057073982403 0.49437200003898 0.86156697584458 78.960 > 11 87 Se 0.16057073982403 0.99437200003898 0.86156697584458 78.960 > 11 88 Se 0.66057073982403 0.99437200003898 0.86156697584458 78.960 > 11 89 Se 0.33942926017597 0.24437200003897 0.13843302415542 78.960 > 12 90 Se 0.83942926017597 0.24437200003897 0.13843302415542 78.960 > 12 91 Se 0.33942926017597 0.74437200003897 0.13843302415542 78.960 > 12 92 Se 0.83942926017597 0.74437200003897 0.13843302415542 78.960 > 12 93 Se 0.33942926017597 0.24437200003897 0.63843302415542 78.960 > 12 94 Se 0.83942926017597 0.24437200003897 0.63843302415542 78.960 > 12 95 Se 0.33942926017597 0.74437200003897 0.63843302415542 78.960 > 12 96 Se 0.83942926017597 0.74437200003897 0.63843302415542 78.960 > 12 97 Se 0.33942926017597 0.00562799996102 0.13843302415542 78.960 > 13 98 Se 0.83942926017597 0.00562799996102 0.13843302415542 78.960 > 13 99 Se 0.33942926017597 0.50562799996103 0.13843302415542 78.960 > 13 100 Se 0.83942926017597 0.50562799996103 0.13843302415542 78.960 > 13 101 Se 0.33942926017597 0.00562799996102 0.63843302415542 78.960 > 13 102 Se 0.83942926017597 0.00562799996102 0.63843302415542 78.960 > 13 103 Se 0.33942926017597 0.50562799996103 0.63843302415542 78.960 > 13 104 Se 0.83942926017597 0.50562799996103 0.63843302415542 78.960 > 13 105 Se 0.16057073982403 0.25562799996102 0.36156697584458 78.960 > 14 106 Se 0.66057073982403 0.25562799996102 0.36156697584458 78.960 > 14 107 Se 0.16057073982403 0.75562799996102 0.36156697584458 78.960 > 14 108 Se 0.66057073982403 0.75562799996102 0.36156697584458 78.960 > 14 109 Se 0.16057073982403 0.25562799996102 0.86156697584458 78.960 > 14 110 Se 0.66057073982403 0.25562799996102 0.86156697584458 78.960 > 14 111 Se 0.16057073982403 0.75562799996102 0.86156697584458 78.960 > 14 112 Se 0.66057073982403 0.75562799996102 0.86156697584458 78.960 > 14 *113 Pd 0.25000000000000 0.25000000000000 0.25000000000000 106.420 > 15 114 Pd 0.75000000000000 0.25000000000000 0.25000000000000 106.420 > 15 115 Pd 0.25000000000000 0.75000000000000 0.25000000000000 106.420 > 15 116 Pd 0.75000000000000 0.75000000000000 0.25000000000000 106.420 > 15 117 Pd 0.25000000000000 0.25000000000000 0.75000000000000 106.420 > 15 118 Pd 0.75000000000000 0.25000000000000 0.75000000000000 106.420 > 15 119 Pd 0.25000000000000 0.75000000000000 0.75000000000000 106.420 > 15 120 Pd 0.75000000000000 0.75000000000000 0.75000000000000 106.420 > 15 121 Pd 0.25000000000000 0.00000000000000 0.25000000000000 106.420 > 16 122 Pd 0.75000000000000 0.00000000000000 0.25000000000000 106.420 > 16 123 Pd 0.25000000000000 0.50000000000000 0.25000000000000 106.420 > 16 124 Pd 0.75000000000000 0.50000000000000 0.25000000000000 106.420 > 16 125 Pd 0.25000000000000 0.00000000000000 0.75000000000000 106.420 > 16 126 Pd 0.75000000000000 0.00000000000000 0.75000000000000 106.420 > 16 127 Pd 0.25000000000000 0.50000000000000 0.75000000000000 106.420 > 16 128 Pd 0.75000000000000 0.50000000000000 0.75000000000000 106.420 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.8094063 0.0000000 0.0001803 0.0000000 13.3346128 0.0000000 0.0001794 0.0000000 8.8740489 -------------------------- Born effective charges -------------------------- 1 K 1.4249411 0.0000000 -0.0044369 0.0000000 1.2820452 0.0000000 -0.0300140 0.0000000 1.9635191 2 K 1.4249411 0.0000000 -0.0044369 0.0000000 1.2820452 0.0000000 -0.0300140 0.0000000 1.9635191 3 Cu 0.9087387 0.0000000 -0.3460289 0.0000000 0.6111701 0.0000000 -0.0231634 0.0000000 0.2266951 4 Cu 0.9087387 0.0000000 -0.3460289 0.0000000 0.6111701 0.0000000 -0.0231634 0.0000000 0.2266951 5 Se 1.4920334 0.0000000 -1.8933604 0.0000000 -0.3434247 0.0000000 -1.1961190 0.0000000 1.2039911 6 Se 1.4920334 0.0000000 -1.8933604 0.0000000 -0.3434247 0.0000000 -1.1961190 0.0000000 1.2039911 7 Se -2.0256930 0.0000000 -0.1376580 0.0000000 -2.2064492 0.0000000 -0.3441249 0.0000000 -2.0734478 8 Se -2.0256930 0.0000000 -0.1376580 0.0000000 -2.2064492 0.0000000 -0.3441249 0.0000000 -2.0734478 9 Se -0.9922710 0.0000000 0.8739941 0.0000000 -0.8754578 0.0000000 0.1148573 0.0000000 -0.5174408 10 Se -0.9922710 0.0000000 0.8739941 0.0000000 -0.8754578 0.0000000 0.1148573 0.0000000 -0.5174408 11 Se 0.1550205 0.6207995 0.7600716 1.7744869 0.9717612 1.0711717 0.7734164 0.5111103 -0.2177201 12 Se 0.1550205 -0.6207995 0.7600716 -1.7744869 0.9717612 -1.0711717 0.7734164 -0.5111103 -0.2177201 13 Se 0.1550205 0.6207995 0.7600716 1.7744869 0.9717612 1.0711717 0.7734164 0.5111103 -0.2177201 14 Se 0.1550205 -0.6207995 0.7600716 -1.7744869 0.9717612 -1.0711717 0.7734164 -0.5111103 -0.2177201 15 Pd -1.1177902 -0.6344015 -0.0126530 -0.0998884 -0.4114059 -0.3304957 -0.0682687 -0.2018954 -0.3678765 16 Pd -1.1177902 0.6344015 -0.0126530 0.0998884 -0.4114059 0.3304957 -0.0682687 0.2018954 -0.3678765 ---------------------------------------------------------------------------- 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: 2516 Number of blocks in projector: 2516 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: 616 Use submatrix version of eigh solver. (1) Block: 500 / 616 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 616 / 616 (1) 111 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 356 Use standard eigh solver. Tree of FC basis block matrices: - (2516, 2474), data: False |-- (356, 349), data: True |-- (356, 349), data: True |-- (356, 349), data: True |-- (416, 412), data: True |-- (416, 412), data: True |-- (616, 603), data: False |-- (616, 5), data: (616, 18) @ (18, 5) |-- (116, 111), data: True |-- (500, 487), data: False |-- (500, 12), data: (500, 25) @ (25, 12) |-- (250, 237), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 1.039 Solver_block: 200 / 480 - Time: 0.732 Solver_block: 300 / 480 - Time: 0.806 Solver_block: 400 / 480 - Time: 1.435 Solver_block: 480 / 480 - Time: 0.632 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.020 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2516 Number of blocks in projector: 2516 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: 616 Use submatrix version of eigh solver. (1) Block: 500 / 616 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 616 / 616 (1) 111 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 356 Use standard eigh solver. Tree of FC basis block matrices: - (2516, 2474), data: False |-- (356, 349), data: True |-- (356, 349), data: True |-- (356, 349), data: True |-- (416, 412), data: True |-- (416, 412), data: True |-- (616, 603), data: False |-- (616, 5), data: (616, 18) @ (18, 5) |-- (116, 111), data: True |-- (500, 487), data: False |-- (500, 12), data: (500, 25) @ (25, 12) |-- (250, 237), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:52:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:52:19]------------------------- 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 6.114355310109842 0.000000000000000 0.000000000000000 b 0.000000000000000 7.269320880000000 0.000000000000000 c -1.993189585729539 0.000000000000000 8.600855287513571 Atomic positions (fractional): 1 K 0.74993927459453 0.75000000000000 0.95284891494860 39.098 2 K 0.25006072540547 0.25000000000000 0.04715108505140 39.098 3 Cu 0.12483580816634 0.25000000000000 0.60951216570047 63.546 4 Cu 0.87516419183366 0.75000000000000 0.39048783429953 63.546 5 Se 0.73483202496340 0.25000000000000 0.63508449362330 78.960 6 Se 0.26516797503660 0.75000000000000 0.36491550637670 78.960 7 Se 0.70311694313349 0.25000000000000 0.89828286546414 78.960 8 Se 0.29688305686651 0.75000000000000 0.10171713453586 78.960 9 Se 0.03323103120373 0.75000000000000 0.65903424354059 78.960 10 Se 0.96676896879627 0.25000000000000 0.34096575645941 78.960 11 Se 0.32114147964805 0.98874400007795 0.72313395168915 78.960 12 Se 0.67885852035195 0.48874400007795 0.27686604831085 78.960 13 Se 0.67885852035195 0.01125599992205 0.27686604831085 78.960 14 Se 0.32114147964805 0.51125599992205 0.72313395168915 78.960 15 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 16 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.228710620219683 0.000000000000000 0.000000000000000 b 0.000000000000000 14.538641760000001 0.000000000000000 c -3.986379171459078 0.000000000000000 17.201710575027143 Atomic positions (fractional): 1 K 0.37496963729727 0.37500000000000 0.47642445747430 39.098 > 1 2 K 0.87496963729727 0.37500000000000 0.47642445747430 39.098 > 1 3 K 0.37496963729727 0.87500000000000 0.47642445747430 39.098 > 1 4 K 0.87496963729727 0.87500000000000 0.47642445747430 39.098 > 1 5 K 0.37496963729727 0.37500000000000 0.97642445747430 39.098 > 1 6 K 0.87496963729727 0.37500000000000 0.97642445747430 39.098 > 1 7 K 0.37496963729727 0.87500000000000 0.97642445747430 39.098 > 1 8 K 0.87496963729727 0.87500000000000 0.97642445747430 39.098 > 1 9 K 0.12503036270273 0.12500000000000 0.02357554252570 39.098 > 9 10 K 0.62503036270273 0.12500000000000 0.02357554252570 39.098 > 9 11 K 0.12503036270273 0.62500000000000 0.02357554252570 39.098 > 9 12 K 0.62503036270273 0.62500000000000 0.02357554252570 39.098 > 9 13 K 0.12503036270273 0.12500000000000 0.52357554252570 39.098 > 9 14 K 0.62503036270273 0.12500000000000 0.52357554252570 39.098 > 9 15 K 0.12503036270273 0.62500000000000 0.52357554252570 39.098 > 9 16 K 0.62503036270273 0.62500000000000 0.52357554252570 39.098 > 9 17 Cu 0.06241790408317 0.12500000000000 0.30475608285024 63.546 > 17 18 Cu 0.56241790408317 0.12500000000000 0.30475608285024 63.546 > 17 19 Cu 0.06241790408317 0.62500000000000 0.30475608285024 63.546 > 17 20 Cu 0.56241790408317 0.62500000000000 0.30475608285024 63.546 > 17 21 Cu 0.06241790408317 0.12500000000000 0.80475608285024 63.546 > 17 22 Cu 0.56241790408317 0.12500000000000 0.80475608285024 63.546 > 17 23 Cu 0.06241790408317 0.62500000000000 0.80475608285024 63.546 > 17 24 Cu 0.56241790408317 0.62500000000000 0.80475608285024 63.546 > 17 25 Cu 0.43758209591683 0.37500000000000 0.19524391714976 63.546 > 25 26 Cu 0.93758209591683 0.37500000000000 0.19524391714976 63.546 > 25 27 Cu 0.43758209591683 0.87500000000000 0.19524391714976 63.546 > 25 28 Cu 0.93758209591683 0.87500000000000 0.19524391714976 63.546 > 25 29 Cu 0.43758209591683 0.37500000000000 0.69524391714976 63.546 > 25 30 Cu 0.93758209591683 0.37500000000000 0.69524391714976 63.546 > 25 31 Cu 0.43758209591683 0.87500000000000 0.69524391714976 63.546 > 25 32 Cu 0.93758209591683 0.87500000000000 0.69524391714976 63.546 > 25 33 Se 0.36741601248170 0.12500000000000 0.31754224681165 78.960 > 33 34 Se 0.86741601248170 0.12500000000000 0.31754224681165 78.960 > 33 35 Se 0.36741601248170 0.62500000000000 0.31754224681165 78.960 > 33 36 Se 0.86741601248170 0.62500000000000 0.31754224681165 78.960 > 33 37 Se 0.36741601248170 0.12500000000000 0.81754224681165 78.960 > 33 38 Se 0.86741601248170 0.12500000000000 0.81754224681165 78.960 > 33 39 Se 0.36741601248170 0.62500000000000 0.81754224681165 78.960 > 33 40 Se 0.86741601248170 0.62500000000000 0.81754224681165 78.960 > 33 41 Se 0.13258398751830 0.37500000000000 0.18245775318835 78.960 > 41 42 Se 0.63258398751830 0.37500000000000 0.18245775318835 78.960 > 41 43 Se 0.13258398751830 0.87500000000000 0.18245775318835 78.960 > 41 44 Se 0.63258398751830 0.87500000000000 0.18245775318835 78.960 > 41 45 Se 0.13258398751830 0.37500000000000 0.68245775318835 78.960 > 41 46 Se 0.63258398751830 0.37500000000000 0.68245775318835 78.960 > 41 47 Se 0.13258398751830 0.87500000000000 0.68245775318835 78.960 > 41 48 Se 0.63258398751830 0.87500000000000 0.68245775318835 78.960 > 41 49 Se 0.35155847156675 0.12500000000000 0.44914143273207 78.960 > 49 50 Se 0.85155847156675 0.12500000000000 0.44914143273207 78.960 > 49 51 Se 0.35155847156675 0.62500000000000 0.44914143273207 78.960 > 49 52 Se 0.85155847156675 0.62500000000000 0.44914143273207 78.960 > 49 53 Se 0.35155847156675 0.12500000000000 0.94914143273207 78.960 > 49 54 Se 0.85155847156675 0.12500000000000 0.94914143273207 78.960 > 49 55 Se 0.35155847156675 0.62500000000000 0.94914143273207 78.960 > 49 56 Se 0.85155847156675 0.62500000000000 0.94914143273207 78.960 > 49 57 Se 0.14844152843325 0.37500000000000 0.05085856726793 78.960 > 57 58 Se 0.64844152843325 0.37500000000000 0.05085856726793 78.960 > 57 59 Se 0.14844152843325 0.87500000000000 0.05085856726793 78.960 > 57 60 Se 0.64844152843325 0.87500000000000 0.05085856726793 78.960 > 57 61 Se 0.14844152843325 0.37500000000000 0.55085856726793 78.960 > 57 62 Se 0.64844152843325 0.37500000000000 0.55085856726793 78.960 > 57 63 Se 0.14844152843325 0.87500000000000 0.55085856726793 78.960 > 57 64 Se 0.64844152843325 0.87500000000000 0.55085856726793 78.960 > 57 65 Se 0.01661551560187 0.37500000000000 0.32951712177030 78.960 > 65 66 Se 0.51661551560187 0.37500000000000 0.32951712177030 78.960 > 65 67 Se 0.01661551560187 0.87500000000000 0.32951712177030 78.960 > 65 68 Se 0.51661551560187 0.87500000000000 0.32951712177030 78.960 > 65 69 Se 0.01661551560187 0.37500000000000 0.82951712177030 78.960 > 65 70 Se 0.51661551560187 0.37500000000000 0.82951712177030 78.960 > 65 71 Se 0.01661551560187 0.87500000000000 0.82951712177030 78.960 > 65 72 Se 0.51661551560187 0.87500000000000 0.82951712177030 78.960 > 65 73 Se 0.48338448439813 0.12500000000000 0.17048287822970 78.960 > 73 74 Se 0.98338448439813 0.12500000000000 0.17048287822970 78.960 > 73 75 Se 0.48338448439813 0.62500000000000 0.17048287822970 78.960 > 73 76 Se 0.98338448439813 0.62500000000000 0.17048287822970 78.960 > 73 77 Se 0.48338448439813 0.12500000000000 0.67048287822970 78.960 > 73 78 Se 0.98338448439813 0.12500000000000 0.67048287822970 78.960 > 73 79 Se 0.48338448439813 0.62500000000000 0.67048287822970 78.960 > 73 80 Se 0.98338448439813 0.62500000000000 0.67048287822970 78.960 > 73 81 Se 0.16057073982403 0.49437200003898 0.36156697584458 78.960 > 81 82 Se 0.66057073982403 0.49437200003898 0.36156697584458 78.960 > 81 83 Se 0.16057073982403 0.99437200003898 0.36156697584458 78.960 > 81 84 Se 0.66057073982403 0.99437200003898 0.36156697584458 78.960 > 81 85 Se 0.16057073982403 0.49437200003898 0.86156697584458 78.960 > 81 86 Se 0.66057073982403 0.49437200003898 0.86156697584458 78.960 > 81 87 Se 0.16057073982403 0.99437200003898 0.86156697584458 78.960 > 81 88 Se 0.66057073982403 0.99437200003898 0.86156697584458 78.960 > 81 89 Se 0.33942926017597 0.24437200003897 0.13843302415542 78.960 > 89 90 Se 0.83942926017597 0.24437200003897 0.13843302415542 78.960 > 89 91 Se 0.33942926017597 0.74437200003897 0.13843302415542 78.960 > 89 92 Se 0.83942926017597 0.74437200003897 0.13843302415542 78.960 > 89 93 Se 0.33942926017597 0.24437200003897 0.63843302415542 78.960 > 89 94 Se 0.83942926017597 0.24437200003897 0.63843302415542 78.960 > 89 95 Se 0.33942926017597 0.74437200003897 0.63843302415542 78.960 > 89 96 Se 0.83942926017597 0.74437200003897 0.63843302415542 78.960 > 89 97 Se 0.33942926017597 0.00562799996102 0.13843302415542 78.960 > 97 98 Se 0.83942926017597 0.00562799996102 0.13843302415542 78.960 > 97 99 Se 0.33942926017597 0.50562799996103 0.13843302415542 78.960 > 97 100 Se 0.83942926017597 0.50562799996103 0.13843302415542 78.960 > 97 101 Se 0.33942926017597 0.00562799996102 0.63843302415542 78.960 > 97 102 Se 0.83942926017597 0.00562799996102 0.63843302415542 78.960 > 97 103 Se 0.33942926017597 0.50562799996103 0.63843302415542 78.960 > 97 104 Se 0.83942926017597 0.50562799996103 0.63843302415542 78.960 > 97 105 Se 0.16057073982403 0.25562799996102 0.36156697584458 78.960 > 105 106 Se 0.66057073982403 0.25562799996102 0.36156697584458 78.960 > 105 107 Se 0.16057073982403 0.75562799996102 0.36156697584458 78.960 > 105 108 Se 0.66057073982403 0.75562799996102 0.36156697584458 78.960 > 105 109 Se 0.16057073982403 0.25562799996102 0.86156697584458 78.960 > 105 110 Se 0.66057073982403 0.25562799996102 0.86156697584458 78.960 > 105 111 Se 0.16057073982403 0.75562799996102 0.86156697584458 78.960 > 105 112 Se 0.66057073982403 0.75562799996102 0.86156697584458 78.960 > 105 113 Pd 0.25000000000000 0.25000000000000 0.25000000000000 106.420 > 113 114 Pd 0.75000000000000 0.25000000000000 0.25000000000000 106.420 > 113 115 Pd 0.25000000000000 0.75000000000000 0.25000000000000 106.420 > 113 116 Pd 0.75000000000000 0.75000000000000 0.25000000000000 106.420 > 113 117 Pd 0.25000000000000 0.25000000000000 0.75000000000000 106.420 > 113 118 Pd 0.75000000000000 0.25000000000000 0.75000000000000 106.420 > 113 119 Pd 0.25000000000000 0.75000000000000 0.75000000000000 106.420 > 113 120 Pd 0.75000000000000 0.75000000000000 0.75000000000000 106.420 > 113 121 Pd 0.25000000000000 0.00000000000000 0.25000000000000 106.420 > 121 122 Pd 0.75000000000000 0.00000000000000 0.25000000000000 106.420 > 121 123 Pd 0.25000000000000 0.50000000000000 0.25000000000000 106.420 > 121 124 Pd 0.75000000000000 0.50000000000000 0.25000000000000 106.420 > 121 125 Pd 0.25000000000000 0.00000000000000 0.75000000000000 106.420 > 121 126 Pd 0.75000000000000 0.00000000000000 0.75000000000000 106.420 > 121 127 Pd 0.25000000000000 0.50000000000000 0.75000000000000 106.420 > 121 128 Pd 0.75000000000000 0.50000000000000 0.75000000000000 106.420 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.8094063 0.0000000 0.0001803 0.0000000 13.3346128 0.0000000 0.0001794 0.0000000 8.8740489 -------------------------- Born effective charges -------------------------- 1 K 1.4249411 0.0000000 -0.0044369 0.0000000 1.2820452 0.0000000 -0.0300140 0.0000000 1.9635191 2 K 1.4249411 0.0000000 -0.0044369 0.0000000 1.2820452 0.0000000 -0.0300140 0.0000000 1.9635191 3 Cu 0.9087387 0.0000000 -0.3460289 0.0000000 0.6111701 0.0000000 -0.0231634 0.0000000 0.2266951 4 Cu 0.9087387 0.0000000 -0.3460289 0.0000000 0.6111701 0.0000000 -0.0231634 0.0000000 0.2266951 5 Se 1.4920334 0.0000000 -1.8933604 0.0000000 -0.3434247 0.0000000 -1.1961190 0.0000000 1.2039911 6 Se 1.4920334 0.0000000 -1.8933604 0.0000000 -0.3434247 0.0000000 -1.1961190 0.0000000 1.2039911 7 Se -2.0256930 0.0000000 -0.1376580 0.0000000 -2.2064492 0.0000000 -0.3441249 0.0000000 -2.0734478 8 Se -2.0256930 0.0000000 -0.1376580 0.0000000 -2.2064492 0.0000000 -0.3441249 0.0000000 -2.0734478 9 Se -0.9922710 0.0000000 0.8739941 0.0000000 -0.8754578 0.0000000 0.1148573 0.0000000 -0.5174408 10 Se -0.9922710 0.0000000 0.8739941 0.0000000 -0.8754578 0.0000000 0.1148573 0.0000000 -0.5174408 11 Se 0.1550205 0.6207995 0.7600716 1.7744869 0.9717612 1.0711717 0.7734164 0.5111103 -0.2177201 12 Se 0.1550205 -0.6207995 0.7600716 -1.7744869 0.9717612 -1.0711717 0.7734164 -0.5111103 -0.2177201 13 Se 0.1550205 0.6207995 0.7600716 1.7744869 0.9717612 1.0711717 0.7734164 0.5111103 -0.2177201 14 Se 0.1550205 -0.6207995 0.7600716 -1.7744869 0.9717612 -1.0711717 0.7734164 -0.5111103 -0.2177201 15 Pd -1.1177902 -0.6344015 -0.0126530 -0.0998884 -0.4114059 -0.3304957 -0.0682687 -0.2018954 -0.3678765 16 Pd -1.1177902 0.6344015 -0.0126530 0.0998884 -0.4114059 0.3304957 -0.0682687 0.2018954 -0.3678765 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000056 (xxx) 0.00000056 (xxx) 0.00000056 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000008 (xz) 0.00000008 (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 23:52:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:52:50]------------------------- 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 6.114355310109842 0.000000000000000 0.000000000000000 b 0.000000000000000 7.269320880000000 0.000000000000000 c -1.993189585729539 0.000000000000000 8.600855287513571 Atomic positions (fractional): 1 K 0.74993927459453 0.75000000000000 0.95284891494860 39.098 2 K 0.25006072540547 0.25000000000000 0.04715108505140 39.098 3 Cu 0.12483580816634 0.25000000000000 0.60951216570047 63.546 4 Cu 0.87516419183366 0.75000000000000 0.39048783429953 63.546 5 Se 0.73483202496340 0.25000000000000 0.63508449362330 78.960 6 Se 0.26516797503660 0.75000000000000 0.36491550637670 78.960 7 Se 0.70311694313349 0.25000000000000 0.89828286546414 78.960 8 Se 0.29688305686651 0.75000000000000 0.10171713453586 78.960 9 Se 0.03323103120373 0.75000000000000 0.65903424354059 78.960 10 Se 0.96676896879627 0.25000000000000 0.34096575645941 78.960 11 Se 0.32114147964805 0.98874400007795 0.72313395168915 78.960 12 Se 0.67885852035195 0.48874400007795 0.27686604831085 78.960 13 Se 0.67885852035195 0.01125599992205 0.27686604831085 78.960 14 Se 0.32114147964805 0.51125599992205 0.72313395168915 78.960 15 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 16 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.228710620219683 0.000000000000000 0.000000000000000 b 0.000000000000000 14.538641760000001 0.000000000000000 c -3.986379171459078 0.000000000000000 17.201710575027143 Atomic positions (fractional): 1 K 0.37496963729727 0.37500000000000 0.47642445747430 39.098 > 1 2 K 0.87496963729727 0.37500000000000 0.47642445747430 39.098 > 1 3 K 0.37496963729727 0.87500000000000 0.47642445747430 39.098 > 1 4 K 0.87496963729727 0.87500000000000 0.47642445747430 39.098 > 1 5 K 0.37496963729727 0.37500000000000 0.97642445747430 39.098 > 1 6 K 0.87496963729727 0.37500000000000 0.97642445747430 39.098 > 1 7 K 0.37496963729727 0.87500000000000 0.97642445747430 39.098 > 1 8 K 0.87496963729727 0.87500000000000 0.97642445747430 39.098 > 1 9 K 0.12503036270273 0.12500000000000 0.02357554252570 39.098 > 9 10 K 0.62503036270273 0.12500000000000 0.02357554252570 39.098 > 9 11 K 0.12503036270273 0.62500000000000 0.02357554252570 39.098 > 9 12 K 0.62503036270273 0.62500000000000 0.02357554252570 39.098 > 9 13 K 0.12503036270273 0.12500000000000 0.52357554252570 39.098 > 9 14 K 0.62503036270273 0.12500000000000 0.52357554252570 39.098 > 9 15 K 0.12503036270273 0.62500000000000 0.52357554252570 39.098 > 9 16 K 0.62503036270273 0.62500000000000 0.52357554252570 39.098 > 9 17 Cu 0.06241790408317 0.12500000000000 0.30475608285024 63.546 > 17 18 Cu 0.56241790408317 0.12500000000000 0.30475608285024 63.546 > 17 19 Cu 0.06241790408317 0.62500000000000 0.30475608285024 63.546 > 17 20 Cu 0.56241790408317 0.62500000000000 0.30475608285024 63.546 > 17 21 Cu 0.06241790408317 0.12500000000000 0.80475608285024 63.546 > 17 22 Cu 0.56241790408317 0.12500000000000 0.80475608285024 63.546 > 17 23 Cu 0.06241790408317 0.62500000000000 0.80475608285024 63.546 > 17 24 Cu 0.56241790408317 0.62500000000000 0.80475608285024 63.546 > 17 25 Cu 0.43758209591683 0.37500000000000 0.19524391714976 63.546 > 25 26 Cu 0.93758209591683 0.37500000000000 0.19524391714976 63.546 > 25 27 Cu 0.43758209591683 0.87500000000000 0.19524391714976 63.546 > 25 28 Cu 0.93758209591683 0.87500000000000 0.19524391714976 63.546 > 25 29 Cu 0.43758209591683 0.37500000000000 0.69524391714976 63.546 > 25 30 Cu 0.93758209591683 0.37500000000000 0.69524391714976 63.546 > 25 31 Cu 0.43758209591683 0.87500000000000 0.69524391714976 63.546 > 25 32 Cu 0.93758209591683 0.87500000000000 0.69524391714976 63.546 > 25 33 Se 0.36741601248170 0.12500000000000 0.31754224681165 78.960 > 33 34 Se 0.86741601248170 0.12500000000000 0.31754224681165 78.960 > 33 35 Se 0.36741601248170 0.62500000000000 0.31754224681165 78.960 > 33 36 Se 0.86741601248170 0.62500000000000 0.31754224681165 78.960 > 33 37 Se 0.36741601248170 0.12500000000000 0.81754224681165 78.960 > 33 38 Se 0.86741601248170 0.12500000000000 0.81754224681165 78.960 > 33 39 Se 0.36741601248170 0.62500000000000 0.81754224681165 78.960 > 33 40 Se 0.86741601248170 0.62500000000000 0.81754224681165 78.960 > 33 41 Se 0.13258398751830 0.37500000000000 0.18245775318835 78.960 > 41 42 Se 0.63258398751830 0.37500000000000 0.18245775318835 78.960 > 41 43 Se 0.13258398751830 0.87500000000000 0.18245775318835 78.960 > 41 44 Se 0.63258398751830 0.87500000000000 0.18245775318835 78.960 > 41 45 Se 0.13258398751830 0.37500000000000 0.68245775318835 78.960 > 41 46 Se 0.63258398751830 0.37500000000000 0.68245775318835 78.960 > 41 47 Se 0.13258398751830 0.87500000000000 0.68245775318835 78.960 > 41 48 Se 0.63258398751830 0.87500000000000 0.68245775318835 78.960 > 41 49 Se 0.35155847156675 0.12500000000000 0.44914143273207 78.960 > 49 50 Se 0.85155847156675 0.12500000000000 0.44914143273207 78.960 > 49 51 Se 0.35155847156675 0.62500000000000 0.44914143273207 78.960 > 49 52 Se 0.85155847156675 0.62500000000000 0.44914143273207 78.960 > 49 53 Se 0.35155847156675 0.12500000000000 0.94914143273207 78.960 > 49 54 Se 0.85155847156675 0.12500000000000 0.94914143273207 78.960 > 49 55 Se 0.35155847156675 0.62500000000000 0.94914143273207 78.960 > 49 56 Se 0.85155847156675 0.62500000000000 0.94914143273207 78.960 > 49 57 Se 0.14844152843325 0.37500000000000 0.05085856726793 78.960 > 57 58 Se 0.64844152843325 0.37500000000000 0.05085856726793 78.960 > 57 59 Se 0.14844152843325 0.87500000000000 0.05085856726793 78.960 > 57 60 Se 0.64844152843325 0.87500000000000 0.05085856726793 78.960 > 57 61 Se 0.14844152843325 0.37500000000000 0.55085856726793 78.960 > 57 62 Se 0.64844152843325 0.37500000000000 0.55085856726793 78.960 > 57 63 Se 0.14844152843325 0.87500000000000 0.55085856726793 78.960 > 57 64 Se 0.64844152843325 0.87500000000000 0.55085856726793 78.960 > 57 65 Se 0.01661551560187 0.37500000000000 0.32951712177030 78.960 > 65 66 Se 0.51661551560187 0.37500000000000 0.32951712177030 78.960 > 65 67 Se 0.01661551560187 0.87500000000000 0.32951712177030 78.960 > 65 68 Se 0.51661551560187 0.87500000000000 0.32951712177030 78.960 > 65 69 Se 0.01661551560187 0.37500000000000 0.82951712177030 78.960 > 65 70 Se 0.51661551560187 0.37500000000000 0.82951712177030 78.960 > 65 71 Se 0.01661551560187 0.87500000000000 0.82951712177030 78.960 > 65 72 Se 0.51661551560187 0.87500000000000 0.82951712177030 78.960 > 65 73 Se 0.48338448439813 0.12500000000000 0.17048287822970 78.960 > 73 74 Se 0.98338448439813 0.12500000000000 0.17048287822970 78.960 > 73 75 Se 0.48338448439813 0.62500000000000 0.17048287822970 78.960 > 73 76 Se 0.98338448439813 0.62500000000000 0.17048287822970 78.960 > 73 77 Se 0.48338448439813 0.12500000000000 0.67048287822970 78.960 > 73 78 Se 0.98338448439813 0.12500000000000 0.67048287822970 78.960 > 73 79 Se 0.48338448439813 0.62500000000000 0.67048287822970 78.960 > 73 80 Se 0.98338448439813 0.62500000000000 0.67048287822970 78.960 > 73 81 Se 0.16057073982403 0.49437200003898 0.36156697584458 78.960 > 81 82 Se 0.66057073982403 0.49437200003898 0.36156697584458 78.960 > 81 83 Se 0.16057073982403 0.99437200003898 0.36156697584458 78.960 > 81 84 Se 0.66057073982403 0.99437200003898 0.36156697584458 78.960 > 81 85 Se 0.16057073982403 0.49437200003898 0.86156697584458 78.960 > 81 86 Se 0.66057073982403 0.49437200003898 0.86156697584458 78.960 > 81 87 Se 0.16057073982403 0.99437200003898 0.86156697584458 78.960 > 81 88 Se 0.66057073982403 0.99437200003898 0.86156697584458 78.960 > 81 89 Se 0.33942926017597 0.24437200003897 0.13843302415542 78.960 > 89 90 Se 0.83942926017597 0.24437200003897 0.13843302415542 78.960 > 89 91 Se 0.33942926017597 0.74437200003897 0.13843302415542 78.960 > 89 92 Se 0.83942926017597 0.74437200003897 0.13843302415542 78.960 > 89 93 Se 0.33942926017597 0.24437200003897 0.63843302415542 78.960 > 89 94 Se 0.83942926017597 0.24437200003897 0.63843302415542 78.960 > 89 95 Se 0.33942926017597 0.74437200003897 0.63843302415542 78.960 > 89 96 Se 0.83942926017597 0.74437200003897 0.63843302415542 78.960 > 89 97 Se 0.33942926017597 0.00562799996102 0.13843302415542 78.960 > 97 98 Se 0.83942926017597 0.00562799996102 0.13843302415542 78.960 > 97 99 Se 0.33942926017597 0.50562799996103 0.13843302415542 78.960 > 97 100 Se 0.83942926017597 0.50562799996103 0.13843302415542 78.960 > 97 101 Se 0.33942926017597 0.00562799996102 0.63843302415542 78.960 > 97 102 Se 0.83942926017597 0.00562799996102 0.63843302415542 78.960 > 97 103 Se 0.33942926017597 0.50562799996103 0.63843302415542 78.960 > 97 104 Se 0.83942926017597 0.50562799996103 0.63843302415542 78.960 > 97 105 Se 0.16057073982403 0.25562799996102 0.36156697584458 78.960 > 105 106 Se 0.66057073982403 0.25562799996102 0.36156697584458 78.960 > 105 107 Se 0.16057073982403 0.75562799996102 0.36156697584458 78.960 > 105 108 Se 0.66057073982403 0.75562799996102 0.36156697584458 78.960 > 105 109 Se 0.16057073982403 0.25562799996102 0.86156697584458 78.960 > 105 110 Se 0.66057073982403 0.25562799996102 0.86156697584458 78.960 > 105 111 Se 0.16057073982403 0.75562799996102 0.86156697584458 78.960 > 105 112 Se 0.66057073982403 0.75562799996102 0.86156697584458 78.960 > 105 113 Pd 0.25000000000000 0.25000000000000 0.25000000000000 106.420 > 113 114 Pd 0.75000000000000 0.25000000000000 0.25000000000000 106.420 > 113 115 Pd 0.25000000000000 0.75000000000000 0.25000000000000 106.420 > 113 116 Pd 0.75000000000000 0.75000000000000 0.25000000000000 106.420 > 113 117 Pd 0.25000000000000 0.25000000000000 0.75000000000000 106.420 > 113 118 Pd 0.75000000000000 0.25000000000000 0.75000000000000 106.420 > 113 119 Pd 0.25000000000000 0.75000000000000 0.75000000000000 106.420 > 113 120 Pd 0.75000000000000 0.75000000000000 0.75000000000000 106.420 > 113 121 Pd 0.25000000000000 0.00000000000000 0.25000000000000 106.420 > 121 122 Pd 0.75000000000000 0.00000000000000 0.25000000000000 106.420 > 121 123 Pd 0.25000000000000 0.50000000000000 0.25000000000000 106.420 > 121 124 Pd 0.75000000000000 0.50000000000000 0.25000000000000 106.420 > 121 125 Pd 0.25000000000000 0.00000000000000 0.75000000000000 106.420 > 121 126 Pd 0.75000000000000 0.00000000000000 0.75000000000000 106.420 > 121 127 Pd 0.25000000000000 0.50000000000000 0.75000000000000 106.420 > 121 128 Pd 0.75000000000000 0.50000000000000 0.75000000000000 106.420 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.8094063 0.0000000 0.0001803 0.0000000 13.3346128 0.0000000 0.0001794 0.0000000 8.8740489 -------------------------- Born effective charges -------------------------- 1 K 1.4249411 0.0000000 -0.0044369 0.0000000 1.2820452 0.0000000 -0.0300140 0.0000000 1.9635191 2 K 1.4249411 0.0000000 -0.0044369 0.0000000 1.2820452 0.0000000 -0.0300140 0.0000000 1.9635191 3 Cu 0.9087387 0.0000000 -0.3460289 0.0000000 0.6111701 0.0000000 -0.0231634 0.0000000 0.2266951 4 Cu 0.9087387 0.0000000 -0.3460289 0.0000000 0.6111701 0.0000000 -0.0231634 0.0000000 0.2266951 5 Se 1.4920334 0.0000000 -1.8933604 0.0000000 -0.3434247 0.0000000 -1.1961190 0.0000000 1.2039911 6 Se 1.4920334 0.0000000 -1.8933604 0.0000000 -0.3434247 0.0000000 -1.1961190 0.0000000 1.2039911 7 Se -2.0256930 0.0000000 -0.1376580 0.0000000 -2.2064492 0.0000000 -0.3441249 0.0000000 -2.0734478 8 Se -2.0256930 0.0000000 -0.1376580 0.0000000 -2.2064492 0.0000000 -0.3441249 0.0000000 -2.0734478 9 Se -0.9922710 0.0000000 0.8739941 0.0000000 -0.8754578 0.0000000 0.1148573 0.0000000 -0.5174408 10 Se -0.9922710 0.0000000 0.8739941 0.0000000 -0.8754578 0.0000000 0.1148573 0.0000000 -0.5174408 11 Se 0.1550205 0.6207995 0.7600716 1.7744869 0.9717612 1.0711717 0.7734164 0.5111103 -0.2177201 12 Se 0.1550205 -0.6207995 0.7600716 -1.7744869 0.9717612 -1.0711717 0.7734164 -0.5111103 -0.2177201 13 Se 0.1550205 0.6207995 0.7600716 1.7744869 0.9717612 1.0711717 0.7734164 0.5111103 -0.2177201 14 Se 0.1550205 -0.6207995 0.7600716 -1.7744869 0.9717612 -1.0711717 0.7734164 -0.5111103 -0.2177201 15 Pd -1.1177902 -0.6344015 -0.0126530 -0.0998884 -0.4114059 -0.3304957 -0.0682687 -0.2018954 -0.3678765 16 Pd -1.1177902 0.6344015 -0.0126530 0.0998884 -0.4114059 0.3304957 -0.0682687 0.2018954 -0.3678765 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000056 (xxx) 0.00000056 (xxx) 0.00000056 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 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: 0.57, Number of G-points: 299, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 104 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 1.442 ( 0.000 0.000 0.000) 0.000 1.456 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.137 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 17.540 0.000 -13.276) 21.998 0.351 ( 16.071 0.000 0.867) 16.095 0.644 ( 25.748 0.000 12.430) 28.591 1.346 ( -5.209 0.000 -5.005) 7.223 1.477 ( 4.267 0.000 -2.942) 5.183 1.588 ( 1.397 0.000 4.260) 4.484 1.760 ( -1.879 0.000 1.547) 2.433 1.922 ( -0.258 0.000 0.195) 0.323 1.978 ( 0.939 0.000 -2.801) 2.954 2.031 ( 0.356 0.000 0.131) 0.379 2.204 ( 0.746 0.000 0.452) 0.873 2.269 ( 0.173 0.000 2.523) 2.529 2.310 ( 8.794 0.000 0.092) 8.794 2.614 ( -4.899 0.000 -5.042) 7.030 2.627 ( 0.828 0.000 0.889) 1.214 2.645 ( -6.252 0.000 -3.446) 7.139 2.703 ( -0.832 0.000 1.547) 1.757 2.825 ( -5.677 0.000 7.521) 9.423 2.912 ( -4.981 0.000 -0.698) 5.029 3.017 ( 5.353 0.000 1.588) 5.584 3.162 ( -1.089 0.000 -1.625) 1.956 3.224 ( 3.322 0.000 0.825) 3.423 3.368 ( 10.111 0.000 -0.817) 10.144 3.630 ( -1.782 0.000 -0.332) 1.813 3.873 ( -5.440 0.000 3.616) 6.532 4.181 ( -4.826 0.000 -0.068) 4.827 4.260 ( -1.913 0.000 1.884) 2.685 4.538 ( -2.178 0.000 -0.916) 2.363 4.754 ( 0.120 0.000 0.210) 0.242 4.822 ( 3.484 0.000 -0.126) 3.486 5.436 ( 1.009 0.000 -0.133) 1.017 5.452 ( -0.455 0.000 -0.183) 0.490 5.592 ( -4.525 0.000 -0.943) 4.622 5.881 ( 5.461 0.000 -0.548) 5.489 5.962 ( 1.075 0.000 0.023) 1.075 6.084 ( 0.211 0.000 -0.077) 0.224 6.235 ( 0.056 0.000 0.033) 0.065 6.365 ( 0.301 0.000 0.036) 0.303 6.526 ( -0.934 0.000 -0.065) 0.937 6.676 ( -1.406 0.000 -0.514) 1.497 6.770 ( 0.160 0.000 0.021) 0.162 6.850 ( -0.726 0.000 0.286) 0.780 6.969 ( -0.610 0.000 0.693) 0.923 6.996 ( -0.219 0.000 0.017) 0.220 7.026 ( 1.610 0.000 -0.828) 1.810 7.259 ( -0.465 0.000 0.633) 0.785 8.118 ( 0.105 0.000 -2.841) 2.843 8.188 ( 1.889 0.000 -3.247) 3.756 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 16.200 0.000 -10.482) 19.295 0.652 ( 13.335 0.000 -1.213) 13.390 1.091 ( 12.810 0.000 2.929) 13.140 1.256 ( -1.286 0.000 -2.365) 2.692 1.605 ( 8.922 0.000 -1.056) 8.985 1.610 ( -0.764 0.000 3.418) 3.502 1.732 ( -1.683 0.000 2.570) 3.072 1.896 ( -2.983 0.000 0.721) 3.069 1.971 ( 0.172 0.000 -5.007) 5.010 2.049 ( 1.589 0.000 2.420) 2.895 2.262 ( 4.490 0.000 -0.894) 4.578 2.281 ( -0.717 0.000 3.002) 3.086 2.383 ( -10.025 0.000 -7.887) 12.756 2.464 ( -5.755 0.000 -4.718) 7.442 2.561 ( 9.682 0.000 3.213) 10.201 2.651 ( 2.045 0.000 2.862) 3.518 2.721 ( 1.214 0.000 0.387) 1.274 2.782 ( -4.523 0.000 2.903) 5.374 2.870 ( 1.647 0.000 2.166) 2.721 3.129 ( 4.522 0.000 1.660) 4.817 3.152 ( 0.540 0.000 0.989) 1.126 3.266 ( 1.387 0.000 -0.300) 1.419 3.537 ( 4.422 0.000 0.618) 4.465 3.588 ( -1.814 0.000 -0.472) 1.875 3.794 ( -1.927 0.000 2.359) 3.046 4.039 ( -8.752 0.000 -0.828) 8.791 4.181 ( -6.664 0.000 0.448) 6.680 4.491 ( -1.774 0.000 -1.219) 2.152 4.756 ( -0.155 0.000 0.305) 0.342 4.893 ( 3.239 0.000 -0.624) 3.298 5.441 ( -0.501 0.000 -0.233) 0.553 5.441 ( -0.876 0.000 -0.243) 0.909 5.532 ( -0.515 0.000 -0.440) 0.678 5.974 ( 3.496 0.000 -0.545) 3.538 5.986 ( 1.021 0.000 -0.036) 1.022 6.089 ( 0.335 0.000 -0.063) 0.341 6.239 ( 0.279 0.000 0.033) 0.281 6.374 ( 0.584 0.000 0.052) 0.587 6.510 ( -0.351 0.000 0.096) 0.364 6.635 ( -2.249 0.000 -0.239) 2.261 6.774 ( 0.195 0.000 0.030) 0.197 6.830 ( -1.342 0.000 0.613) 1.476 6.975 ( 0.615 0.000 0.838) 1.039 6.991 ( -0.295 0.000 0.027) 0.296 7.048 ( 0.910 0.000 -0.821) 1.226 7.251 ( -0.396 0.000 -0.052) 0.399 8.110 ( 0.320 0.000 -2.325) 2.346 8.212 ( 1.122 0.000 -0.270) 1.154 ======================= Grid point 3 (4/104) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 12.302 0.000 -6.101) 13.732 0.890 ( 10.817 0.000 -1.963) 10.994 1.223 ( 2.033 0.000 -3.041) 3.658 1.254 ( 0.196 0.000 0.040) 0.200 1.605 ( -0.727 0.000 2.438) 2.544 1.715 ( -1.277 0.000 2.931) 3.197 1.748 ( 3.860 0.000 1.055) 4.002 1.809 ( -4.990 0.000 0.433) 5.009 1.944 ( -0.238 0.000 -4.696) 4.702 2.129 ( -6.735 0.000 -4.960) 8.364 2.136 ( 2.702 0.000 1.737) 3.212 2.250 ( -2.502 0.000 -0.203) 2.510 2.362 ( 3.178 0.000 -3.458) 4.696 2.378 ( -1.239 0.000 -1.213) 1.734 2.630 ( 0.318 0.000 5.708) 5.717 2.728 ( 0.204 0.000 1.176) 1.194 2.743 ( 0.746 0.000 0.097) 0.752 2.887 ( -0.061 0.000 0.848) 0.850 2.917 ( 13.309 0.000 3.914) 13.873 3.194 ( 2.134 0.000 1.098) 2.400 3.208 ( 2.376 0.000 1.158) 2.643 3.306 ( 3.009 0.000 2.377) 3.835 3.535 ( -3.048 0.000 0.814) 3.154 3.560 ( -0.679 0.000 -0.376) 0.776 3.832 ( -4.865 0.000 -3.783) 6.163 3.838 ( -1.441 0.000 2.199) 2.629 3.999 ( -9.818 0.000 -1.893) 9.999 4.459 ( -0.918 0.000 -0.519) 1.055 4.751 ( -0.304 0.000 0.225) 0.379 4.937 ( 1.275 0.000 -0.623) 1.419 5.425 ( -0.070 0.000 -0.234) 0.244 5.432 ( -0.274 0.000 -0.151) 0.313 5.538 ( 0.503 0.000 -0.169) 0.530 5.999 ( 0.287 0.000 -0.075) 0.296 6.015 ( 0.927 0.000 -0.239) 0.957 6.097 ( 0.368 0.000 -0.005) 0.368 6.246 ( 0.297 0.000 0.009) 0.297 6.387 ( 0.568 0.000 0.039) 0.569 6.518 ( 0.962 0.000 -0.024) 0.962 6.590 ( -2.009 0.000 -0.024) 2.009 6.777 ( 0.095 0.000 0.022) 0.098 6.807 ( -1.006 0.000 0.572) 1.157 6.986 ( -0.190 0.000 0.021) 0.191 6.992 ( 0.547 0.000 0.696) 0.885 7.058 ( 0.413 0.000 -0.660) 0.778 7.244 ( -0.212 0.000 -0.158) 0.264 8.108 ( 0.297 0.000 -1.216) 1.252 8.229 ( 0.570 0.000 0.092) 0.577 ======================= Grid point 4 (5/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.000 0.000 0.000) 0.000 1.027 ( 0.000 0.000 0.000) 0.000 1.214 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 -0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 -0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 -0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 -0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 -0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 -0.000) 0.000 3.404 ( -0.000 0.000 -0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 -0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 -0.000) 0.000 5.428 ( 0.000 0.000 -0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 -0.000) 0.000 6.101 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.562 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.146 ( 0.000 10.907 0.000) 10.907 0.315 ( 0.000 16.136 0.000) 16.136 0.679 ( 0.000 31.918 0.000) 31.918 1.251 ( 0.000 -10.316 0.000) 10.316 1.546 ( 0.000 0.805 0.000) 0.805 1.654 ( 0.000 7.706 0.000) 7.706 1.850 ( 0.000 3.585 0.000) 3.585 1.992 ( 0.000 -2.049 0.000) 2.049 2.021 ( 0.000 -8.555 0.000) 8.555 2.046 ( 0.000 5.420 0.000) 5.420 2.246 ( 0.000 4.744 0.000) 4.744 2.312 ( 0.000 2.957 0.000) 2.957 2.320 ( 0.000 5.962 0.000) 5.962 2.544 ( 0.000 -1.013 0.000) 1.013 2.557 ( 0.000 -4.795 0.000) 4.795 2.732 ( 0.000 -4.480 0.000) 4.480 2.754 ( 0.000 0.599 0.000) 0.599 2.801 ( 0.000 -10.913 0.000) 10.913 3.003 ( 0.000 -1.819 0.000) 1.819 3.038 ( 0.000 0.726 0.000) 0.726 3.117 ( 0.000 -2.238 0.000) 2.238 3.136 ( 0.000 7.628 0.000) 7.628 3.368 ( 0.000 10.895 0.000) 10.895 3.709 ( 0.000 0.736 0.000) 0.736 3.905 ( 0.000 -0.500 0.000) 0.500 4.103 ( 0.000 0.013 0.000) 0.013 4.237 ( 0.000 0.044 0.000) 0.044 4.408 ( 0.000 -8.603 0.000) 8.603 4.758 ( 0.000 -1.998 0.000) 1.998 4.781 ( 0.000 2.067 0.000) 2.067 5.409 ( 0.000 -1.778 0.000) 1.778 5.469 ( 0.000 -4.076 0.000) 4.076 5.555 ( 0.000 -0.557 0.000) 0.557 5.755 ( 0.000 -3.359 0.000) 3.359 6.086 ( 0.000 1.330 0.000) 1.330 6.130 ( 0.000 3.778 0.000) 3.778 6.309 ( 0.000 6.009 0.000) 6.009 6.391 ( 0.000 2.650 0.000) 2.650 6.551 ( 0.000 1.317 0.000) 1.317 6.702 ( 0.000 1.120 0.000) 1.120 6.776 ( 0.000 0.024 0.000) 0.024 6.847 ( 0.000 -0.794 0.000) 0.794 6.954 ( 0.000 -3.454 0.000) 3.454 6.970 ( 0.000 -1.867 0.000) 1.867 7.004 ( 0.000 -0.597 0.000) 0.597 7.189 ( 0.000 -3.256 0.000) 3.256 8.123 ( 0.000 -0.230 0.000) 0.230 8.135 ( 0.000 -0.196 0.000) 0.196 ======================= Grid point 10 (7/104) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 15.104 4.476 -8.574) 17.935 0.476 ( 12.711 8.582 2.615) 15.558 0.864 ( 12.574 19.332 1.587) 23.116 1.283 ( 4.740 -6.724 -0.648) 8.252 1.488 ( -3.018 4.484 -0.660) 5.445 1.701 ( 1.633 5.565 2.448) 6.295 1.849 ( -0.091 5.858 0.410) 5.873 1.954 ( -2.780 0.242 0.088) 2.792 2.013 ( 0.753 -2.539 -0.167) 2.653 2.042 ( -0.243 4.200 -1.039) 4.334 2.240 ( -0.376 4.526 -1.134) 4.681 2.287 ( -0.560 2.550 1.139) 2.849 2.341 ( 2.800 0.527 -1.815) 3.378 2.501 ( -1.354 -4.358 -3.460) 5.726 2.585 ( -2.212 -2.403 -1.598) 3.636 2.673 ( -3.208 -2.299 0.961) 4.062 2.748 ( 2.150 0.424 1.081) 2.443 2.790 ( -5.359 -3.456 2.401) 6.813 2.880 ( -3.260 0.794 3.673) 4.975 2.974 ( -0.936 1.112 -0.010) 1.454 3.177 ( 4.552 -3.790 0.254) 5.929 3.330 ( 3.255 8.082 -1.903) 8.918 3.382 ( 6.120 4.009 0.495) 7.332 3.669 ( -2.328 2.433 0.145) 3.370 3.862 ( -4.564 -0.609 2.212) 5.108 4.139 ( -1.623 -2.902 1.475) 3.637 4.218 ( -1.662 -1.965 0.032) 2.574 4.416 ( 0.069 -8.942 -0.920) 8.990 4.767 ( 0.677 -0.309 -0.055) 0.746 4.819 ( 3.203 0.331 0.196) 3.226 5.391 ( -1.567 -4.136 -0.073) 4.424 5.483 ( 0.937 -3.516 -0.232) 3.646 5.535 ( -1.492 1.654 -0.183) 2.235 5.786 ( 2.448 -5.854 -0.449) 6.361 6.045 ( -1.601 4.283 -0.229) 4.578 6.155 ( 2.185 4.628 -0.036) 5.118 6.295 ( -1.159 5.160 0.013) 5.288 6.402 ( 0.928 3.247 -0.081) 3.378 6.541 ( -0.853 1.560 -0.099) 1.781 6.683 ( -1.702 0.803 -0.160) 1.889 6.773 ( -0.129 0.136 -0.068) 0.199 6.844 ( -0.549 -0.536 0.315) 0.829 6.932 ( -0.824 -3.388 0.563) 3.532 6.988 ( 0.456 -1.229 -0.068) 1.313 7.009 ( 0.925 -1.487 -0.568) 1.841 7.205 ( 0.562 -4.271 0.287) 4.317 8.112 ( 0.076 -0.364 -2.453) 2.481 8.168 ( 1.784 -1.214 -0.199) 2.167 ======================= Grid point 11 (8/104) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 14.915 2.351 -8.693) 17.422 0.760 ( 12.527 4.840 1.775) 13.547 1.056 ( 6.744 5.969 -3.879) 9.806 1.448 ( 4.568 -7.079 -0.185) 8.428 1.458 ( 4.418 11.652 2.148) 12.645 1.718 ( -1.082 5.338 3.407) 6.424 1.849 ( -0.391 5.150 0.293) 5.173 1.897 ( -3.662 1.382 0.044) 3.914 2.012 ( -1.681 2.338 -4.390) 5.250 2.048 ( 2.562 0.069 1.908) 3.196 2.214 ( -1.959 -2.579 -2.672) 4.199 2.309 ( 1.935 0.894 2.605) 3.366 2.360 ( 0.424 -1.851 -1.872) 2.666 2.433 ( -6.577 2.381 -6.399) 9.481 2.581 ( 7.677 -0.113 0.377) 7.687 2.653 ( -0.792 -1.586 3.082) 3.555 2.708 ( -1.357 -2.292 4.122) 4.908 2.801 ( -0.246 3.252 1.652) 3.656 2.886 ( 3.118 1.347 2.206) 4.050 2.995 ( 1.221 -4.316 0.508) 4.514 3.244 ( 2.335 -1.801 -0.732) 3.038 3.320 ( -0.840 8.052 1.183) 8.181 3.527 ( 3.807 0.104 0.022) 3.809 3.642 ( -0.057 4.059 -0.109) 4.061 3.780 ( -2.720 -1.014 1.819) 3.426 4.034 ( -7.824 -0.314 -0.197) 7.832 4.152 ( -5.572 -2.501 0.457) 6.125 4.393 ( -1.394 -7.924 -1.322) 8.154 4.783 ( 0.752 1.326 0.179) 1.535 4.886 ( 3.012 -0.595 -0.543) 3.118 5.352 ( -1.811 -6.028 -0.123) 6.296 5.494 ( 0.024 -3.225 -0.307) 3.240 5.516 ( 0.050 4.004 -0.230) 4.011 5.829 ( 1.808 -8.074 -0.400) 8.283 6.040 ( 0.780 3.783 -0.008) 3.863 6.199 ( 1.108 6.678 -0.203) 6.773 6.277 ( 0.254 2.932 0.031) 2.944 6.421 ( 0.818 4.136 -0.076) 4.217 6.523 ( -0.602 1.601 0.046) 1.711 6.637 ( -2.539 0.219 -0.138) 2.552 6.772 ( -0.017 -0.234 0.067) 0.244 6.826 ( -1.231 -0.303 0.564) 1.387 6.933 ( 0.445 -3.484 0.537) 3.553 6.991 ( 0.008 -0.504 0.210) 0.546 7.025 ( 0.737 -2.282 -0.781) 2.522 7.209 ( -0.044 -3.864 -0.060) 3.865 8.104 ( 0.216 -0.447 -2.011) 2.072 8.196 ( 1.014 -1.421 0.111) 1.749 ======================= Grid point 12 (9/104) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 11.074 -0.307 -5.306) 12.283 0.969 ( 7.022 -0.060 -1.275) 7.137 1.145 ( 3.749 8.720 -1.898) 9.680 1.467 ( 0.901 9.078 -0.512) 9.137 1.596 ( 4.030 -1.890 1.177) 4.604 1.692 ( -3.097 2.046 3.453) 5.069 1.795 ( -3.619 -0.633 0.306) 3.687 1.853 ( -0.403 4.977 1.043) 5.101 1.948 ( -1.538 0.643 -6.326) 6.542 2.114 ( 1.299 -1.812 0.847) 2.385 2.162 ( -0.868 2.973 -2.402) 3.919 2.281 ( -3.960 5.196 -2.219) 6.899 2.341 ( 0.224 -1.948 2.860) 3.468 2.408 ( 2.276 2.029 -3.996) 5.026 2.619 ( -0.551 -0.302 3.694) 3.747 2.669 ( -0.009 -5.378 1.836) 5.682 2.784 ( -0.221 2.661 1.490) 3.058 2.900 ( 9.797 -0.228 1.391) 9.898 2.937 ( 2.531 4.385 2.872) 5.821 3.058 ( 5.500 -7.875 0.183) 9.607 3.257 ( -1.474 -0.629 0.165) 1.611 3.341 ( 2.392 3.548 1.949) 4.702 3.524 ( -2.815 0.361 0.806) 2.950 3.637 ( -0.235 5.835 -0.153) 5.842 3.804 ( 2.670 -3.033 -0.827) 4.125 3.854 ( -8.370 1.721 -0.059) 8.546 3.994 ( -8.708 -0.356 -1.512) 8.845 4.362 ( -0.963 -7.901 -0.569) 7.980 4.797 ( 0.519 3.110 0.204) 3.160 4.926 ( 1.154 -1.136 -0.604) 1.728 5.329 ( -0.326 -6.392 -0.203) 6.404 5.494 ( 0.315 0.507 -0.206) 0.632 5.518 ( -0.184 0.258 -0.088) 0.329 5.856 ( 0.941 -8.152 -0.106) 8.207 6.064 ( 1.421 3.542 0.024) 3.817 6.179 ( -2.027 5.315 -0.050) 5.689 6.316 ( 2.522 4.712 -0.219) 5.349 6.427 ( -0.245 3.965 0.041) 3.973 6.523 ( 0.572 0.892 -0.016) 1.060 6.587 ( -2.102 -0.211 0.017) 2.112 6.774 ( 0.258 -0.407 0.131) 0.500 6.804 ( -1.124 -0.184 0.436) 1.220 6.945 ( 0.365 -3.287 0.338) 3.325 6.993 ( 0.090 -0.457 0.332) 0.572 7.031 ( 0.260 -2.663 -0.684) 2.762 7.207 ( -0.064 -3.467 -0.126) 3.470 8.101 ( 0.194 -0.597 -1.082) 1.251 8.212 ( 0.468 -1.640 0.154) 1.712 ======================= Grid point 13 (10/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.000 1.911 -0.000) 1.911 0.995 ( -0.000 -10.461 0.000) 10.461 1.191 ( -0.000 13.934 -0.000) 13.934 1.465 ( -0.000 10.276 0.000) 10.276 1.651 ( -0.000 2.874 -0.000) 2.874 1.654 ( 0.000 -4.703 -0.000) 4.703 1.755 ( 0.000 3.131 0.000) 3.131 1.865 ( 0.000 4.962 0.000) 4.962 1.907 ( 0.000 -1.007 -0.000) 1.007 2.105 ( 0.000 6.767 0.000) 6.767 2.151 ( 0.000 -2.636 0.000) 2.636 2.252 ( 0.000 3.911 0.000) 3.911 2.352 ( 0.000 -2.050 0.000) 2.050 2.410 ( -0.000 2.328 0.000) 2.328 2.636 ( 0.000 -0.643 -0.000) 0.643 2.671 ( -0.000 -5.684 0.000) 5.684 2.772 ( 0.000 1.684 -0.000) 1.684 2.931 ( 0.000 3.482 -0.000) 3.482 3.085 ( -0.000 -1.596 0.000) 1.596 3.177 ( 0.000 -2.916 -0.000) 2.916 3.190 ( -0.000 -4.505 -0.000) 4.505 3.402 ( -0.000 0.136 0.000) 0.136 3.470 ( 0.000 1.450 0.000) 1.450 3.636 ( 0.000 6.297 0.000) 6.297 3.739 ( 0.000 3.304 0.000) 3.304 3.844 ( 0.000 -3.289 0.000) 3.289 3.871 ( 0.000 1.330 -0.000) 1.330 4.351 ( 0.000 -7.940 0.000) 7.940 4.803 ( 0.000 3.987 0.000) 3.987 4.935 ( 0.000 -1.322 0.000) 1.322 5.327 ( 0.000 -6.558 -0.000) 6.558 5.502 ( 0.000 4.185 0.000) 4.185 5.510 ( 0.000 -3.641 -0.000) 3.641 5.866 ( 0.000 -7.807 -0.000) 7.807 6.085 ( 0.000 3.842 -0.000) 3.842 6.150 ( 0.000 4.241 0.000) 4.241 6.347 ( 0.000 6.795 0.000) 6.795 6.421 ( 0.000 2.575 0.000) 2.575 6.535 ( 0.000 0.225 0.000) 0.225 6.560 ( -0.000 -0.060 0.000) 0.060 6.783 ( 0.000 0.487 -0.000) 0.487 6.787 ( -0.000 -1.007 0.000) 1.007 6.950 ( -0.000 -3.100 0.000) 3.100 6.996 ( -0.000 -0.525 0.000) 0.525 7.032 ( 0.000 -2.876 0.000) 2.876 7.206 ( 0.000 -3.318 0.000) 3.318 8.101 ( 0.000 -0.680 -0.000) 0.680 8.217 ( 0.000 -1.745 0.000) 1.745 ======================= Grid point 18 (11/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 0.000 13.317 0.000) 13.317 0.638 ( 0.000 16.850 0.000) 16.850 1.036 ( 0.000 -8.206 0.000) 8.206 1.225 ( 0.000 18.533 0.000) 18.533 1.563 ( 0.000 1.897 0.000) 1.897 1.677 ( 0.000 -6.312 0.000) 6.312 1.878 ( 0.000 0.780 0.000) 0.780 1.941 ( 0.000 -2.744 0.000) 2.744 2.005 ( 0.000 5.725 0.000) 5.725 2.111 ( 0.000 0.824 0.000) 0.824 2.285 ( 0.000 -5.059 0.000) 5.059 2.344 ( 0.000 4.123 0.000) 4.123 2.467 ( 0.000 -3.024 0.000) 3.024 2.477 ( 0.000 2.204 0.000) 2.204 2.522 ( 0.000 3.144 0.000) 3.144 2.622 ( 0.000 -4.216 0.000) 4.216 2.689 ( 0.000 -2.299 0.000) 2.299 2.805 ( 0.000 4.640 0.000) 4.640 2.914 ( 0.000 -6.341 0.000) 6.341 3.009 ( 0.000 -2.093 0.000) 2.093 3.116 ( 0.000 3.380 0.000) 3.380 3.328 ( 0.000 9.920 0.000) 9.920 3.569 ( 0.000 8.339 0.000) 8.339 3.726 ( 0.000 1.753 0.000) 1.753 3.881 ( 0.000 -2.331 0.000) 2.331 4.103 ( 0.000 -0.418 0.000) 0.418 4.226 ( 0.000 -8.487 0.000) 8.487 4.234 ( 0.000 -0.539 0.000) 0.539 4.713 ( 0.000 -2.099 0.000) 2.099 4.809 ( 0.000 0.189 0.000) 0.189 5.301 ( 0.000 -8.800 0.000) 8.800 5.345 ( 0.000 -4.598 0.000) 4.598 5.623 ( 0.000 4.006 0.000) 4.006 5.705 ( 0.000 -1.302 0.000) 1.302 6.124 ( 0.000 2.410 0.000) 2.410 6.195 ( 0.000 2.303 0.000) 2.303 6.438 ( 0.000 6.377 0.000) 6.377 6.455 ( 0.000 3.841 0.000) 3.841 6.586 ( 0.000 2.151 0.000) 2.151 6.735 ( 0.000 2.198 0.000) 2.198 6.774 ( 0.000 -0.409 0.000) 0.409 6.830 ( 0.000 -0.844 0.000) 0.844 6.867 ( 0.000 -5.022 0.000) 5.022 6.918 ( 0.000 -3.219 0.000) 3.219 6.985 ( 0.000 -1.002 0.000) 1.002 7.106 ( 0.000 -4.754 0.000) 4.754 8.119 ( 0.000 -0.128 0.000) 0.128 8.130 ( 0.000 -0.303 0.000) 0.303 ======================= Grid point 19 (12/104) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 10.097 11.014 -6.146) 16.156 0.691 ( 5.383 13.380 0.876) 14.449 1.078 ( 5.149 -5.449 -3.303) 8.193 1.264 ( 3.405 10.397 -0.417) 10.948 1.604 ( 2.449 6.344 3.399) 7.603 1.729 ( 3.562 -5.495 1.178) 6.654 1.866 ( -1.000 0.047 0.576) 1.155 1.925 ( -1.340 -4.233 -0.321) 4.451 2.028 ( 1.611 4.414 0.019) 4.699 2.099 ( -1.277 1.301 -0.478) 1.885 2.279 ( -0.192 -4.258 -1.291) 4.454 2.335 ( -2.103 4.205 -2.969) 5.561 2.351 ( -4.219 3.590 -0.283) 5.547 2.462 ( 0.970 -1.944 -0.582) 2.249 2.567 ( -1.866 -4.365 -0.624) 4.788 2.630 ( 2.934 2.205 1.872) 4.120 2.692 ( 1.278 -4.199 -0.124) 4.391 2.816 ( -4.474 7.950 1.071) 9.185 2.915 ( 2.349 2.766 4.058) 5.444 2.998 ( 0.148 -3.345 -0.123) 3.351 3.128 ( 1.015 1.361 2.315) 2.871 3.414 ( 6.514 3.817 -2.559) 7.972 3.537 ( -2.636 7.139 0.350) 7.618 3.715 ( -0.676 3.477 0.952) 3.668 3.853 ( -2.795 -0.903 -0.017) 2.937 4.108 ( -0.741 -0.778 1.870) 2.157 4.161 ( -4.408 -4.702 0.483) 6.463 4.261 ( 0.928 -5.261 -1.918) 5.676 4.736 ( 2.017 -2.039 -0.414) 2.898 4.827 ( 1.682 -0.491 0.146) 1.758 5.268 ( -2.269 -6.917 0.182) 7.282 5.367 ( 1.228 -6.358 -0.177) 6.478 5.615 ( -0.596 4.049 -0.117) 4.095 5.710 ( 0.512 -1.820 -0.323) 1.918 6.117 ( -0.278 3.434 -0.153) 3.449 6.224 ( 2.645 2.000 -0.029) 3.316 6.404 ( -2.307 5.646 -0.058) 6.099 6.480 ( 1.477 4.362 -0.198) 4.609 6.583 ( -0.308 2.420 -0.062) 2.440 6.709 ( -2.356 1.775 0.058) 2.951 6.773 ( -0.135 -0.031 0.050) 0.147 6.830 ( -0.886 -1.723 0.364) 1.971 6.849 ( -0.282 -3.886 0.231) 3.903 6.938 ( 1.241 -3.624 -0.450) 3.857 6.984 ( -0.077 -0.971 -0.014) 0.974 7.111 ( 0.349 -4.988 0.031) 5.000 8.108 ( -0.237 0.045 -1.525) 1.544 8.147 ( 0.822 -1.048 0.634) 1.476 ======================= Grid point 20 (13/104) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 10.237 6.809 -4.909) 13.239 0.849 ( 8.668 6.678 -0.449) 10.951 1.220 ( 9.554 0.072 -2.603) 9.902 1.349 ( 4.806 4.210 0.831) 6.443 1.644 ( -0.740 1.801 1.207) 2.291 1.753 ( -2.259 -2.264 0.728) 3.280 1.850 ( 0.082 3.140 0.270) 3.153 1.928 ( 1.018 -3.581 0.431) 3.748 2.017 ( -3.459 0.016 -0.748) 3.540 2.069 ( 0.193 1.928 -1.525) 2.466 2.250 ( -1.184 1.765 -3.066) 3.730 2.257 ( -1.010 -0.368 0.874) 1.385 2.382 ( 3.399 2.465 0.328) 4.211 2.503 ( -1.689 -5.877 0.570) 6.141 2.553 ( 5.787 1.423 -3.377) 6.850 2.654 ( -4.177 5.192 0.119) 6.665 2.705 ( 1.668 1.218 4.585) 5.029 2.795 ( 4.183 0.752 1.345) 4.458 2.933 ( -1.957 3.216 2.463) 4.499 3.038 ( 1.759 6.210 2.422) 6.894 3.175 ( 2.477 -4.736 0.429) 5.362 3.441 ( -2.378 2.887 -0.162) 3.743 3.556 ( 3.613 3.043 -1.580) 4.981 3.718 ( 0.120 3.280 1.328) 3.541 3.779 ( -3.414 1.617 0.005) 3.778 4.033 ( -6.465 0.143 0.170) 6.469 4.090 ( -3.763 -3.719 2.037) 5.669 4.245 ( -1.369 -6.133 -2.192) 6.655 4.781 ( 2.532 -1.296 -0.458) 2.881 4.868 ( 1.918 -1.814 -0.260) 2.652 5.226 ( -1.697 -5.589 0.122) 5.842 5.383 ( 0.458 -7.334 0.021) 7.348 5.602 ( -0.548 4.024 -0.267) 4.070 5.724 ( 0.993 -2.628 -0.378) 2.835 6.122 ( 0.868 4.396 -0.056) 4.481 6.293 ( 3.878 1.063 -0.122) 4.023 6.349 ( -2.966 5.883 -0.122) 6.589 6.507 ( 1.152 4.041 -0.230) 4.209 6.574 ( -0.424 3.033 0.017) 3.063 6.648 ( -3.404 1.021 0.086) 3.554 6.767 ( -0.491 -0.001 0.213) 0.535 6.809 ( -0.882 -2.393 0.461) 2.592 6.859 ( 0.685 -2.842 0.190) 2.930 6.953 ( 0.404 -4.062 -0.475) 4.109 6.983 ( 0.011 -0.908 -0.025) 0.909 7.118 ( 0.323 -4.916 -0.048) 4.927 8.098 ( -0.118 -0.051 -1.328) 1.334 8.163 ( 0.500 -1.854 0.361) 1.954 ======================= Grid point 21 (14/104) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 4.453 0.972 -2.475) 5.187 0.997 ( 6.121 4.341 -2.740) 7.989 1.391 ( 6.348 5.548 -1.001) 8.490 1.465 ( 5.130 1.977 3.022) 6.274 1.572 ( -5.130 -7.570 1.148) 9.216 1.747 ( 2.467 6.674 -0.786) 7.159 1.867 ( 0.713 5.659 1.175) 5.823 1.910 ( -1.985 0.667 -1.595) 2.633 1.952 ( -1.322 0.615 -2.512) 2.904 2.082 ( 1.000 -1.014 0.467) 1.499 2.234 ( -0.159 0.305 -1.670) 1.705 2.266 ( 0.864 -0.901 1.912) 2.283 2.424 ( -0.421 -0.378 -3.274) 3.322 2.440 ( -2.531 1.093 0.173) 2.762 2.588 ( -2.269 2.964 2.792) 4.662 2.644 ( 2.526 3.430 -0.137) 4.262 2.813 ( 4.797 -0.604 1.222) 4.987 2.892 ( -0.378 -1.443 2.132) 2.602 2.939 ( 8.043 -1.283 1.709) 8.322 3.068 ( 0.658 7.353 0.199) 7.385 3.201 ( -0.891 -3.744 0.714) 3.914 3.412 ( -0.072 2.975 -0.347) 2.996 3.559 ( -2.536 2.858 0.181) 3.825 3.725 ( 1.042 -4.477 -0.488) 4.622 3.758 ( 0.216 6.003 0.540) 6.031 3.896 ( -6.248 2.336 0.477) 6.687 3.993 ( -5.715 0.263 -0.003) 5.721 4.206 ( -1.172 -7.113 -1.037) 7.283 4.831 ( 2.346 -0.284 -0.213) 2.373 4.891 ( 0.386 -2.521 -0.300) 2.568 5.203 ( -0.551 -5.149 -0.211) 5.183 5.390 ( 0.213 -7.633 0.314) 7.643 5.592 ( -0.277 4.152 -0.268) 4.170 5.744 ( 0.937 -3.216 -0.182) 3.355 6.149 ( 1.717 4.846 0.058) 5.141 6.281 ( -3.133 4.365 -0.097) 5.373 6.377 ( 3.944 1.876 -0.273) 4.376 6.512 ( -1.088 3.284 -0.117) 3.462 6.568 ( -0.151 3.504 0.141) 3.510 6.588 ( -1.929 0.912 0.083) 2.136 6.761 ( -0.053 -0.611 0.250) 0.662 6.796 ( -0.619 -1.183 0.228) 1.355 6.873 ( 0.456 -3.334 0.214) 3.372 6.953 ( -0.051 -4.716 -0.385) 4.732 6.983 ( 0.024 -0.619 -0.023) 0.620 7.124 ( 0.228 -4.579 -0.056) 4.585 8.091 ( -0.056 -0.239 -0.749) 0.788 8.171 ( 0.178 -2.379 0.186) 2.392 ======================= Grid point 22 (15/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 -1.755 -0.000) 1.755 1.057 ( 0.000 4.252 0.000) 4.252 1.454 ( 0.000 5.782 -0.000) 5.782 1.505 ( -0.000 -4.385 -0.000) 4.385 1.542 ( -0.000 -1.202 -0.000) 1.202 1.789 ( -0.000 10.005 -0.000) 10.005 1.871 ( 0.000 6.563 0.000) 6.563 1.890 ( 0.000 -0.353 0.000) 0.353 1.929 ( 0.000 1.740 0.000) 1.740 2.102 ( 0.000 -2.209 0.000) 2.209 2.221 ( 0.000 2.331 0.000) 2.331 2.286 ( 0.000 -2.609 -0.000) 2.609 2.371 ( 0.000 4.311 0.000) 4.311 2.438 ( 0.000 -1.807 0.000) 1.807 2.571 ( 0.000 0.567 -0.000) 0.567 2.668 ( 0.000 3.873 -0.000) 3.873 2.811 ( 0.000 2.151 -0.000) 2.151 2.992 ( -0.000 1.096 -0.000) 1.096 3.026 ( 0.000 -5.396 -0.000) 5.396 3.084 ( 0.000 -4.547 0.000) 4.547 3.165 ( 0.000 3.529 -0.000) 3.529 3.417 ( -0.000 1.124 0.000) 1.124 3.522 ( 0.000 3.329 0.000) 3.329 3.738 ( 0.000 -5.292 0.000) 5.292 3.761 ( 0.000 5.936 0.000) 5.936 3.829 ( 0.000 3.576 0.000) 3.576 3.916 ( 0.000 3.352 -0.000) 3.352 4.192 ( 0.000 -7.449 0.000) 7.449 4.861 ( 0.000 1.020 -0.000) 1.020 4.888 ( -0.000 -3.424 0.000) 3.424 5.198 ( 0.000 -5.303 -0.000) 5.303 5.393 ( 0.000 -7.567 0.000) 7.567 5.589 ( 0.000 4.296 0.000) 4.296 5.754 ( 0.000 -3.455 -0.000) 3.455 6.178 ( -0.000 5.347 -0.000) 5.347 6.237 ( 0.000 4.041 0.000) 4.041 6.439 ( 0.000 1.896 -0.000) 1.896 6.473 ( -0.000 1.759 0.000) 1.759 6.568 ( 0.000 3.528 -0.000) 3.528 6.573 ( 0.000 1.938 0.000) 1.938 6.764 ( -0.000 -1.142 0.000) 1.142 6.788 ( -0.000 -0.451 0.000) 0.451 6.878 ( -0.000 -3.532 0.000) 3.532 6.951 ( 0.000 -5.050 0.000) 5.050 6.983 ( 0.000 -0.449 0.000) 0.449 7.126 ( 0.000 -4.426 -0.000) 4.426 8.089 ( 0.000 -0.334 -0.000) 0.334 8.173 ( 0.000 -2.568 0.000) 2.568 ======================= Grid point 27 (16/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.000 11.565 0.000) 11.565 0.851 ( 0.000 -9.924 0.000) 9.924 0.978 ( 0.000 17.410 0.000) 17.410 1.290 ( 0.000 -12.336 0.000) 12.336 1.643 ( 0.000 5.952 0.000) 5.952 1.678 ( 0.000 6.388 0.000) 6.388 1.848 ( 0.000 -3.772 0.000) 3.772 1.880 ( 0.000 -3.946 0.000) 3.946 2.090 ( 0.000 1.607 0.000) 1.607 2.102 ( 0.000 -0.838 0.000) 0.838 2.237 ( 0.000 3.218 0.000) 3.218 2.359 ( 0.000 -5.670 0.000) 5.670 2.441 ( 0.000 1.450 0.000) 1.450 2.459 ( 0.000 0.848 0.000) 0.848 2.590 ( 0.000 0.482 0.000) 0.482 2.598 ( 0.000 1.362 0.000) 1.362 2.665 ( 0.000 0.226 0.000) 0.226 2.737 ( 0.000 -7.134 0.000) 7.134 2.930 ( 0.000 3.119 0.000) 3.119 2.972 ( 0.000 -1.732 0.000) 1.732 3.276 ( 0.000 11.304 0.000) 11.304 3.437 ( 0.000 -2.021 0.000) 2.021 3.669 ( 0.000 5.331 0.000) 5.331 3.799 ( 0.000 -6.109 0.000) 6.109 3.843 ( 0.000 8.866 0.000) 8.866 4.014 ( 0.000 -8.047 0.000) 8.047 4.165 ( 0.000 1.517 0.000) 1.517 4.208 ( 0.000 -2.081 0.000) 2.081 4.701 ( 0.000 1.544 0.000) 1.544 4.768 ( 0.000 -4.050 0.000) 4.050 5.200 ( 0.000 -0.734 0.000) 0.734 5.248 ( 0.000 -4.545 0.000) 4.545 5.680 ( 0.000 1.695 0.000) 1.695 5.695 ( 0.000 -0.208 0.000) 0.208 6.175 ( 0.000 2.493 0.000) 2.493 6.210 ( 0.000 -0.757 0.000) 0.757 6.531 ( 0.000 2.942 0.000) 2.942 6.534 ( 0.000 2.763 0.000) 2.763 6.637 ( 0.000 3.502 0.000) 3.502 6.730 ( 0.000 -5.036 0.000) 5.036 6.780 ( 0.000 2.091 0.000) 2.091 6.798 ( 0.000 0.058 0.000) 0.058 6.819 ( 0.000 -0.743 0.000) 0.743 6.850 ( 0.000 -3.379 0.000) 3.379 6.979 ( 0.000 0.724 0.000) 0.724 7.021 ( 0.000 -3.518 0.000) 3.518 8.119 ( 0.000 0.141 0.000) 0.141 8.124 ( 0.000 -0.299 0.000) 0.299 ======================= Grid point 28 (17/104) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 7.789 10.652 -4.362) 13.899 0.903 ( 5.377 -6.688 -3.706) 9.348 1.015 ( 3.318 14.904 2.040) 15.404 1.317 ( 2.260 -10.433 0.131) 10.676 1.606 ( -0.412 3.458 -1.122) 3.659 1.723 ( 1.542 -2.224 -0.106) 2.709 1.831 ( -0.735 -0.282 0.165) 0.804 1.876 ( 0.001 -1.427 -1.095) 1.799 2.110 ( 1.371 1.711 0.032) 2.193 2.112 ( -0.484 2.304 3.724) 4.406 2.221 ( -1.680 0.381 -0.836) 1.915 2.337 ( -2.525 -8.072 0.062) 8.458 2.421 ( -2.000 4.557 -1.762) 5.279 2.474 ( 0.164 6.497 -1.187) 6.607 2.506 ( -0.917 -3.447 -0.210) 3.573 2.577 ( 0.355 -4.445 -3.330) 5.565 2.715 ( 3.343 4.904 2.669) 6.508 2.848 ( 5.714 -7.501 2.629) 9.790 2.976 ( 0.489 2.313 2.542) 3.471 2.986 ( 2.647 2.844 3.711) 5.373 3.241 ( -2.723 9.979 0.631) 10.363 3.416 ( -1.679 -5.315 -0.627) 5.609 3.664 ( -0.014 7.060 -0.946) 7.123 3.790 ( -1.099 -4.216 -0.921) 4.453 3.848 ( 0.416 7.429 0.590) 7.464 4.007 ( -1.132 -7.811 1.183) 7.981 4.144 ( -2.124 2.191 0.292) 3.065 4.196 ( -1.126 -2.685 -0.976) 3.071 4.718 ( 1.698 0.949 -0.537) 2.018 4.777 ( 1.004 -4.094 -0.322) 4.227 5.192 ( -0.793 -0.054 0.261) 0.837 5.249 ( -0.040 -5.103 0.085) 5.103 5.674 ( -0.451 1.866 -0.159) 1.926 5.694 ( -0.021 -0.451 -0.221) 0.503 6.182 ( 0.822 3.068 -0.218) 3.183 6.228 ( 1.756 -1.341 -0.177) 2.217 6.513 ( -1.301 4.744 -0.089) 4.920 6.545 ( 0.630 1.533 -0.131) 1.662 6.629 ( -0.658 2.521 0.094) 2.607 6.708 ( -2.302 -4.724 0.349) 5.266 6.766 ( -0.379 2.192 -0.092) 2.226 6.801 ( -0.921 1.157 0.133) 1.485 6.819 ( 0.661 -1.326 -0.011) 1.481 6.858 ( 0.501 -4.004 -0.253) 4.044 6.980 ( 0.127 0.890 0.020) 0.900 7.024 ( 0.295 -3.547 -0.007) 3.559 8.114 ( -0.262 0.509 -0.602) 0.831 8.127 ( 0.102 -0.867 0.201) 0.896 ======================= Grid point 29 (18/104) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 7.230 9.708 -4.334) 12.857 0.990 ( 4.493 2.209 -3.019) 5.847 1.151 ( 8.407 2.446 2.190) 9.026 1.366 ( 1.588 -11.667 0.920) 11.811 1.615 ( 1.754 7.358 1.570) 7.725 1.787 ( 4.550 -7.213 0.809) 8.566 1.819 ( -0.285 2.307 -0.344) 2.350 1.872 ( 0.425 -1.801 -2.565) 3.163 2.088 ( -2.731 6.139 2.421) 7.142 2.126 ( -0.167 4.362 -1.577) 4.642 2.179 ( -1.540 -3.223 0.159) 3.576 2.280 ( -1.786 -7.667 -1.367) 7.989 2.370 ( -1.597 2.877 -0.450) 3.321 2.442 ( -1.830 -2.938 1.327) 3.707 2.565 ( 5.215 2.522 -3.037) 6.541 2.631 ( 5.122 -3.762 -3.034) 7.043 2.804 ( 3.388 7.369 3.265) 8.743 2.926 ( -0.779 -2.030 0.692) 2.282 2.956 ( -1.659 6.272 4.809) 8.076 3.067 ( 1.065 -4.427 4.870) 6.667 3.215 ( 1.165 9.941 -0.157) 10.011 3.394 ( 0.382 -6.829 -0.693) 6.875 3.655 ( -0.532 5.767 -1.708) 6.038 3.737 ( -3.627 -1.862 -0.829) 4.161 3.860 ( 0.156 5.877 1.250) 6.011 3.974 ( -2.633 -5.437 1.713) 6.280 4.083 ( -3.847 2.758 0.592) 4.770 4.153 ( -2.291 -3.919 -1.644) 4.828 4.759 ( 2.431 0.031 -0.825) 2.567 4.803 ( 1.534 -3.981 -0.503) 4.296 5.176 ( -0.732 0.839 0.361) 1.171 5.246 ( -0.243 -5.785 0.295) 5.797 5.665 ( -0.262 2.298 -0.313) 2.334 5.695 ( 0.321 -1.042 -0.332) 1.140 6.206 ( 1.573 4.005 -0.192) 4.307 6.272 ( 2.341 -2.509 -0.229) 3.439 6.476 ( -2.151 6.162 -0.063) 6.527 6.551 ( -0.413 -0.484 -0.131) 0.650 6.619 ( -0.219 1.654 0.083) 1.671 6.658 ( -2.062 -1.515 0.367) 2.585 6.762 ( -0.142 0.630 -0.045) 0.647 6.780 ( -1.084 0.914 0.168) 1.428 6.830 ( 0.291 -1.004 0.004) 1.046 6.862 ( -0.033 -4.446 -0.327) 4.458 6.984 ( 0.277 1.213 0.036) 1.245 7.032 ( 0.481 -3.565 -0.012) 3.598 8.105 ( -0.311 0.790 -0.572) 1.023 8.128 ( -0.077 -1.554 0.067) 1.558 ======================= Grid point 30 (19/104) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 1.346 8.953 -1.247) 9.139 1.069 ( 3.845 -0.442 -2.295) 4.500 1.306 ( 4.133 -2.938 1.761) 5.368 1.385 ( 0.424 -8.356 0.753) 8.401 1.686 ( 2.698 10.674 1.813) 11.158 1.836 ( 1.701 -1.594 -1.913) 3.016 1.852 ( 3.274 0.166 -0.064) 3.279 1.914 ( 3.801 -3.086 0.895) 4.977 2.057 ( -1.441 7.959 2.199) 8.382 2.103 ( -0.781 4.044 -2.148) 4.645 2.154 ( -1.054 -3.996 0.336) 4.146 2.265 ( 0.559 -8.034 -0.617) 8.077 2.346 ( -0.914 1.865 -0.232) 2.089 2.410 ( -1.765 -3.205 0.034) 3.659 2.674 ( 5.220 3.127 -1.132) 6.189 2.730 ( 5.055 -1.725 -2.426) 5.866 2.815 ( -0.903 5.718 1.084) 5.889 2.881 ( -3.712 -0.571 1.894) 4.206 2.978 ( 2.126 3.645 2.814) 5.072 3.070 ( -1.984 -5.121 0.103) 5.493 3.269 ( 2.412 8.489 1.076) 8.890 3.409 ( 0.698 -4.318 -0.634) 4.420 3.618 ( -2.481 2.722 -0.843) 3.778 3.658 ( -2.485 -1.998 -0.708) 3.266 3.861 ( -0.690 4.321 1.776) 4.723 3.921 ( -3.037 -1.079 1.112) 3.409 4.017 ( -2.270 3.228 0.609) 3.993 4.098 ( -1.958 -4.283 -1.462) 4.931 4.801 ( 1.811 -1.234 -0.678) 2.294 4.826 ( 0.757 -3.449 -0.349) 3.549 5.168 ( -0.232 1.600 0.170) 1.625 5.247 ( 0.183 -6.086 0.464) 6.106 5.661 ( 0.027 2.765 -0.289) 2.780 5.703 ( 0.442 -1.667 -0.255) 1.743 6.242 ( 1.889 4.239 -0.073) 4.641 6.305 ( 0.474 -1.807 -0.204) 1.879 6.441 ( -0.606 4.586 -0.024) 4.626 6.517 ( -2.583 -2.391 0.113) 3.522 6.624 ( 0.530 2.368 0.016) 2.427 6.639 ( -0.171 1.780 0.147) 1.795 6.757 ( -0.426 -0.383 -0.020) 0.573 6.762 ( -0.570 -0.350 0.143) 0.684 6.833 ( 0.045 -1.047 0.031) 1.048 6.857 ( -0.153 -4.093 -0.277) 4.106 6.990 ( 0.217 1.491 0.029) 1.507 7.041 ( 0.357 -3.581 -0.007) 3.599 8.097 ( -0.227 0.893 -0.338) 0.982 8.126 ( -0.131 -2.008 0.016) 2.012 ======================= Grid point 31 (20/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.000 8.932 -0.000) 8.932 1.105 ( 0.000 -2.925 0.000) 2.925 1.338 ( 0.000 -3.609 -0.000) 3.609 1.394 ( 0.000 -5.865 -0.000) 5.865 1.719 ( 0.000 8.985 0.000) 8.985 1.842 ( 0.000 -3.751 0.000) 3.751 1.931 ( -0.000 3.763 -0.000) 3.763 1.954 ( 0.000 0.787 0.000) 0.787 2.051 ( -0.000 9.332 0.000) 9.332 2.076 ( 0.000 0.016 0.000) 0.016 2.148 ( 0.000 -3.708 0.000) 3.708 2.279 ( 0.000 -9.969 -0.000) 9.969 2.327 ( 0.000 3.219 -0.000) 3.219 2.385 ( 0.000 -2.348 0.000) 2.348 2.713 ( -0.000 7.698 0.000) 7.698 2.755 ( 0.000 3.727 -0.000) 3.727 2.839 ( 0.000 0.067 -0.000) 0.067 2.896 ( -0.000 -6.147 0.000) 6.147 2.989 ( 0.000 0.396 0.000) 0.396 3.023 ( -0.000 -2.463 0.000) 2.463 3.296 ( 0.000 7.766 -0.000) 7.766 3.411 ( 0.000 -2.913 0.000) 2.913 3.582 ( 0.000 2.554 0.000) 2.554 3.637 ( 0.000 -3.879 -0.000) 3.879 3.857 ( 0.000 3.638 0.000) 3.638 3.885 ( -0.000 1.205 -0.000) 1.205 3.996 ( 0.000 4.182 0.000) 4.182 4.074 ( -0.000 -4.517 -0.000) 4.517 4.820 ( 0.000 -2.332 0.000) 2.332 4.831 ( -0.000 -2.824 -0.000) 2.824 5.166 ( 0.000 2.058 -0.000) 2.058 5.252 ( 0.000 -6.160 0.000) 6.160 5.661 ( 0.000 2.969 0.000) 2.969 5.707 ( 0.000 -1.941 -0.000) 1.941 6.273 ( -0.000 3.517 0.000) 3.517 6.293 ( 0.000 1.361 -0.000) 1.361 6.452 ( 0.000 0.509 -0.000) 0.509 6.473 ( -0.000 -1.209 0.000) 1.209 6.631 ( 0.000 2.855 0.000) 2.855 6.640 ( 0.000 2.495 0.000) 2.495 6.750 ( -0.000 -0.280 0.000) 0.280 6.758 ( 0.000 -1.709 0.000) 1.709 6.833 ( 0.000 -1.071 0.000) 1.071 6.855 ( 0.000 -3.788 -0.000) 3.788 6.992 ( 0.000 1.598 0.000) 1.598 7.045 ( 0.000 -3.592 -0.000) 3.592 8.093 ( 0.000 0.911 -0.000) 0.911 8.124 ( 0.000 -2.164 0.000) 2.164 ======================= Grid point 63 (21/104) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.183 ( 0.641 0.000 8.689) 8.713 0.362 ( 14.296 0.000 17.807) 22.836 0.496 ( -8.693 0.000 23.919) 25.450 1.408 ( -5.538 0.000 -2.327) 6.007 1.451 ( -3.197 0.000 0.557) 3.245 1.613 ( 3.575 0.000 5.600) 6.644 1.763 ( 1.801 0.000 -1.294) 2.218 1.932 ( -0.269 0.000 0.983) 1.019 1.985 ( -2.480 0.000 1.441) 2.868 2.070 ( -2.174 0.000 -1.791) 2.817 2.190 ( -0.716 0.000 -0.799) 1.073 2.257 ( -0.066 0.000 2.681) 2.682 2.261 ( 2.483 0.000 -0.230) 2.494 2.574 ( 1.579 0.000 -2.490) 2.949 2.606 ( -2.376 0.000 -3.621) 4.331 2.643 ( 1.658 0.000 0.999) 1.936 2.746 ( -0.344 0.000 -1.352) 1.395 2.939 ( 2.002 0.000 0.236) 2.016 2.957 ( -0.520 0.000 -1.088) 1.206 3.038 ( 2.379 0.000 -2.807) 3.680 3.116 ( -0.325 0.000 -1.292) 1.332 3.207 ( 2.094 0.000 -2.161) 3.008 3.326 ( -4.770 0.000 0.000) 4.770 3.646 ( -0.192 0.000 -0.383) 0.428 3.968 ( 3.495 0.000 -1.872) 3.964 4.131 ( 6.079 0.000 2.173) 6.456 4.254 ( -1.090 0.000 1.451) 1.814 4.502 ( 0.058 0.000 -0.656) 0.659 4.749 ( 0.246 0.000 -0.283) 0.375 4.791 ( -0.108 0.000 1.090) 1.096 5.418 ( -0.054 0.000 -0.523) 0.525 5.465 ( -0.315 0.000 0.640) 0.713 5.612 ( 0.313 0.000 -0.783) 0.844 5.792 ( -0.694 0.000 -0.614) 0.926 5.953 ( -0.038 0.000 0.308) 0.310 6.079 ( -0.012 0.000 -0.265) 0.265 6.235 ( 0.029 0.000 0.003) 0.029 6.362 ( 0.017 0.000 0.078) 0.080 6.538 ( -0.136 0.000 0.045) 0.143 6.720 ( -1.259 0.000 0.304) 1.295 6.774 ( -0.111 0.000 0.550) 0.561 6.856 ( 0.381 0.000 0.027) 0.382 6.982 ( 1.464 0.000 -0.226) 1.481 7.002 ( -0.074 0.000 0.378) 0.385 7.010 ( -1.874 0.000 0.685) 1.995 7.227 ( 1.465 0.000 -0.233) 1.483 8.117 ( -0.722 0.000 -0.792) 1.072 8.256 ( -8.417 0.000 0.195) 8.419 ======================= Grid point 64 (22/104) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -2.651 0.000 18.278) 18.469 0.394 ( 12.037 0.000 3.147) 12.441 0.866 ( 16.259 0.000 8.518) 18.355 1.292 ( -4.159 0.000 -0.456) 4.184 1.439 ( 3.499 0.000 -0.574) 3.546 1.673 ( 0.368 0.000 3.592) 3.611 1.788 ( 0.743 0.000 1.359) 1.549 1.930 ( -2.290 0.000 -1.088) 2.535 1.940 ( -0.541 0.000 1.175) 1.294 2.056 ( 1.126 0.000 1.108) 1.579 2.206 ( 1.539 0.000 -1.057) 1.867 2.307 ( 1.303 0.000 0.438) 1.375 2.330 ( 5.722 0.000 2.401) 6.205 2.510 ( -5.074 0.000 -4.290) 6.645 2.556 ( -6.549 0.000 -2.887) 7.157 2.624 ( 3.287 0.000 -1.346) 3.552 2.710 ( -0.812 0.000 -0.802) 1.141 2.876 ( -5.172 0.000 -1.899) 5.510 2.997 ( -3.169 0.000 5.850) 6.653 3.034 ( 5.693 0.000 -0.097) 5.694 3.131 ( 1.255 0.000 -0.854) 1.518 3.251 ( -0.376 0.000 1.745) 1.786 3.333 ( 9.675 0.000 -3.339) 10.235 3.620 ( -1.993 0.000 -0.580) 2.076 3.920 ( -4.902 0.000 0.402) 4.919 4.178 ( -4.512 0.000 0.831) 4.588 4.262 ( -0.409 0.000 -1.788) 1.834 4.490 ( -0.872 0.000 -2.145) 2.316 4.755 ( 0.353 0.000 -0.164) 0.389 4.827 ( 2.683 0.000 0.573) 2.744 5.427 ( 0.881 0.000 -0.812) 1.198 5.457 ( -0.680 0.000 0.613) 0.916 5.564 ( -3.548 0.000 -1.428) 3.824 5.862 ( 5.771 0.000 -0.959) 5.850 5.966 ( 0.966 0.000 0.278) 1.005 6.080 ( 0.253 0.000 -0.273) 0.372 6.236 ( 0.051 0.000 -0.015) 0.053 6.366 ( 0.297 0.000 0.088) 0.310 6.526 ( -0.871 0.000 0.066) 0.873 6.683 ( -2.159 0.000 0.785) 2.298 6.776 ( 0.069 0.000 0.583) 0.587 6.859 ( -0.444 0.000 0.399) 0.597 6.982 ( -0.537 0.000 0.538) 0.760 7.000 ( -0.306 0.000 0.370) 0.480 7.015 ( 1.334 0.000 -0.177) 1.346 7.250 ( 0.428 0.000 -0.959) 1.051 8.072 ( -1.062 0.000 -0.715) 1.280 8.205 ( 0.465 0.000 2.147) 2.197 ======================= Grid point 65 (23/104) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 9.688 0.000 6.004) 11.397 0.644 ( 11.627 0.000 0.722) 11.649 1.072 ( 5.404 0.000 -4.498) 7.031 1.256 ( 0.073 0.000 2.088) 2.089 1.605 ( 9.944 0.000 0.599) 9.962 1.678 ( -1.160 0.000 2.774) 3.007 1.804 ( -1.645 0.000 5.111) 5.369 1.868 ( -0.603 0.000 -5.445) 5.478 1.923 ( -2.844 0.000 2.187) 3.588 2.097 ( 1.581 0.000 1.789) 2.387 2.226 ( -0.765 0.000 -2.287) 2.411 2.274 ( -3.679 0.000 -4.968) 6.182 2.304 ( -5.745 0.000 -0.409) 5.759 2.419 ( -1.994 0.000 1.669) 2.600 2.600 ( 9.186 0.000 0.642) 9.208 2.711 ( 1.013 0.000 -1.368) 1.702 2.719 ( 6.012 0.000 4.044) 7.246 2.785 ( -1.526 0.000 -0.500) 1.605 2.992 ( -1.958 0.000 7.856) 8.096 3.144 ( 4.809 0.000 -0.373) 4.824 3.161 ( 1.759 0.000 -0.278) 1.780 3.269 ( 2.396 0.000 0.575) 2.464 3.514 ( 7.746 0.000 -3.354) 8.441 3.572 ( -1.958 0.000 -0.922) 2.164 3.804 ( -5.280 0.000 -1.307) 5.439 4.039 ( -9.064 0.000 1.385) 9.169 4.159 ( -7.957 0.000 -2.961) 8.490 4.464 ( -0.794 0.000 -0.916) 1.212 4.758 ( -0.042 0.000 -0.087) 0.097 4.886 ( 2.621 0.000 -0.089) 2.622 5.425 ( -0.745 0.000 -1.309) 1.507 5.446 ( -0.636 0.000 0.716) 0.958 5.517 ( 0.052 0.000 -0.909) 0.910 5.962 ( 3.974 0.000 -0.445) 3.999 5.987 ( 0.875 0.000 0.176) 0.892 6.086 ( 0.451 0.000 -0.198) 0.492 6.238 ( 0.262 0.000 -0.079) 0.273 6.375 ( 0.554 0.000 0.049) 0.556 6.512 ( -0.401 0.000 0.026) 0.402 6.638 ( -2.463 0.000 0.446) 2.504 6.781 ( 0.096 0.000 0.655) 0.662 6.842 ( -1.326 0.000 0.508) 1.420 6.990 ( 0.755 0.000 0.563) 0.942 6.994 ( -0.393 0.000 0.330) 0.513 7.034 ( 0.652 0.000 -0.562) 0.861 7.247 ( -0.201 0.000 -0.272) 0.339 8.070 ( 0.909 0.000 -1.151) 1.467 8.227 ( 0.605 0.000 1.314) 1.446 ======================= Grid point 66 (24/104) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 12.345 0.000 0.775) 12.369 0.887 ( 11.421 0.000 1.815) 11.565 1.148 ( 4.834 0.000 -3.864) 6.189 1.275 ( -0.440 0.000 1.905) 1.955 1.653 ( -2.246 0.000 0.858) 2.404 1.741 ( -3.914 0.000 -0.149) 3.916 1.763 ( 5.063 0.000 0.246) 5.069 1.833 ( -5.434 0.000 1.260) 5.578 1.903 ( 2.942 0.000 2.271) 3.716 2.060 ( -4.881 0.000 -1.669) 5.159 2.179 ( 0.124 0.000 2.506) 2.509 2.189 ( -1.156 0.000 -4.699) 4.839 2.292 ( 2.421 0.000 -3.411) 4.183 2.407 ( -0.990 0.000 2.979) 3.139 2.680 ( 0.671 0.000 -0.294) 0.732 2.726 ( 0.967 0.000 -1.825) 2.066 2.788 ( -1.351 0.000 3.526) 3.776 2.924 ( 4.177 0.000 3.606) 5.518 3.028 ( 6.715 0.000 6.954) 9.667 3.190 ( 1.498 0.000 -1.389) 2.043 3.214 ( 2.113 0.000 -0.615) 2.201 3.360 ( 4.859 0.000 2.191) 5.330 3.541 ( -0.477 0.000 -1.358) 1.439 3.546 ( -4.249 0.000 0.203) 4.253 3.729 ( -1.564 0.000 -6.411) 6.599 3.872 ( -5.172 0.000 1.053) 5.279 3.952 ( -9.133 0.000 -2.323) 9.424 4.448 ( -0.420 0.000 -0.396) 0.578 4.753 ( -0.356 0.000 -0.116) 0.374 4.924 ( 1.289 0.000 -0.567) 1.408 5.414 ( 0.534 0.000 -0.826) 0.984 5.439 ( -0.369 0.000 0.861) 0.937 5.528 ( 0.746 0.000 -0.765) 1.069 5.999 ( 0.251 0.000 0.111) 0.275 6.014 ( 1.249 0.000 0.163) 1.260 6.095 ( 0.433 0.000 -0.116) 0.448 6.244 ( 0.310 0.000 -0.116) 0.331 6.387 ( 0.526 0.000 -0.030) 0.527 6.515 ( 0.794 0.000 -0.274) 0.840 6.593 ( -2.033 0.000 0.317) 2.058 6.785 ( -0.044 0.000 0.736) 0.737 6.815 ( -1.365 0.000 0.150) 1.374 6.989 ( -0.286 0.000 0.271) 0.393 7.004 ( 0.102 0.000 0.538) 0.547 7.043 ( 0.815 0.000 -0.809) 1.148 7.243 ( -0.068 0.000 0.172) 0.185 8.089 ( 1.188 0.000 -0.512) 1.293 8.240 ( 0.169 0.000 0.870) 0.886 ======================= Grid point 67 (25/104) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 4.859 0.000 0.210) 4.863 1.069 ( 1.312 0.000 3.997) 4.207 1.232 ( 3.293 0.000 1.608) 3.664 1.245 ( -0.686 0.000 0.665) 0.956 1.589 ( -2.498 0.000 -4.034) 4.745 1.689 ( -1.324 0.000 1.711) 2.164 1.764 ( -0.787 0.000 0.953) 1.236 1.800 ( -2.010 0.000 1.124) 2.303 1.983 ( 2.620 0.000 4.632) 5.322 2.035 ( 4.299 0.000 1.127) 4.445 2.182 ( 1.781 0.000 -2.958) 3.453 2.194 ( -0.445 0.000 0.418) 0.611 2.343 ( 4.096 0.000 -2.406) 4.750 2.403 ( -0.460 0.000 2.698) 2.736 2.659 ( -4.539 0.000 -0.503) 4.567 2.727 ( -2.206 0.000 -0.625) 2.293 2.731 ( 0.412 0.000 -1.930) 1.974 2.939 ( -3.039 0.000 3.999) 5.022 3.132 ( -5.038 0.000 3.305) 6.025 3.202 ( -0.138 0.000 -1.532) 1.538 3.223 ( -0.766 0.000 -1.221) 1.441 3.361 ( -5.512 0.000 -1.680) 5.763 3.487 ( 0.846 0.000 -0.462) 0.964 3.538 ( 0.676 0.000 -1.405) 1.560 3.700 ( 4.294 0.000 0.609) 4.337 3.843 ( -0.342 0.000 -3.028) 3.047 3.873 ( 3.388 0.000 0.673) 3.454 4.446 ( 0.356 0.000 -0.240) 0.429 4.746 ( -0.147 0.000 -0.230) 0.272 4.941 ( 0.722 0.000 -0.531) 0.896 5.426 ( 0.320 0.000 -0.200) 0.377 5.439 ( -0.099 0.000 0.975) 0.980 5.534 ( 0.289 0.000 -0.765) 0.818 6.002 ( 0.047 0.000 0.137) 0.145 6.026 ( 0.025 0.000 0.358) 0.359 6.100 ( 0.016 0.000 -0.099) 0.100 6.248 ( 0.026 0.000 -0.115) 0.118 6.393 ( -0.018 0.000 -0.097) 0.098 6.536 ( 0.581 0.000 0.042) 0.582 6.561 ( -0.495 0.000 -0.140) 0.515 6.786 ( -0.195 0.000 0.768) 0.793 6.794 ( -0.461 0.000 -0.318) 0.560 6.986 ( -0.073 0.000 0.233) 0.244 6.998 ( -0.660 0.000 -0.052) 0.662 7.058 ( 0.721 0.000 -0.326) 0.791 7.245 ( 0.058 0.000 0.398) 0.402 8.110 ( 0.867 0.000 0.146) 0.879 8.243 ( -0.212 0.000 0.720) 0.750 ======================= Grid point 68 (26/104) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -11.595 0.000 2.866) 11.944 0.972 ( -6.137 0.000 5.873) 8.495 1.243 ( -4.287 0.000 -1.188) 4.449 1.283 ( 1.217 0.000 3.139) 3.366 1.553 ( 0.727 0.000 -3.628) 3.700 1.687 ( 0.151 0.000 0.813) 0.826 1.730 ( -4.139 0.000 -0.684) 4.195 1.810 ( 4.178 0.000 0.572) 4.217 2.041 ( 0.751 0.000 4.717) 4.776 2.117 ( -5.405 0.000 -0.222) 5.410 2.208 ( 1.549 0.000 -3.412) 3.747 2.230 ( 10.492 0.000 4.397) 11.376 2.420 ( -0.057 0.000 3.053) 3.053 2.433 ( 2.565 0.000 2.994) 3.943 2.525 ( -2.716 0.000 -4.704) 5.432 2.698 ( -0.582 0.000 -2.313) 2.385 2.724 ( -0.316 0.000 -1.769) 1.797 2.858 ( -10.539 0.000 0.476) 10.550 2.936 ( -5.943 0.000 4.098) 7.218 3.158 ( -2.835 0.000 -2.057) 3.503 3.177 ( -2.876 0.000 -1.774) 3.380 3.292 ( -1.281 0.000 0.901) 1.566 3.515 ( 2.062 0.000 -1.248) 2.410 3.553 ( 1.382 0.000 -1.030) 1.724 3.782 ( -2.666 0.000 -3.955) 4.770 3.870 ( 8.534 0.000 0.543) 8.551 4.022 ( 8.481 0.000 0.499) 8.495 4.463 ( 1.409 0.000 -0.141) 1.416 4.746 ( 0.199 0.000 -0.338) 0.392 4.945 ( -0.562 0.000 0.126) 0.576 5.421 ( -0.064 0.000 -0.564) 0.568 5.444 ( 0.136 0.000 1.012) 1.021 5.534 ( -0.111 0.000 -0.583) 0.594 6.002 ( -0.279 0.000 0.189) 0.337 6.022 ( -0.838 0.000 0.355) 0.911 6.096 ( -0.331 0.000 -0.111) 0.349 6.244 ( -0.285 0.000 -0.119) 0.309 6.386 ( -0.549 0.000 -0.092) 0.556 6.516 ( -1.163 0.000 -0.209) 1.181 6.592 ( 2.361 0.000 0.235) 2.373 6.784 ( -0.318 0.000 0.721) 0.788 6.797 ( 0.922 0.000 -0.328) 0.979 6.981 ( -0.880 0.000 -0.344) 0.945 6.988 ( 0.141 0.000 0.251) 0.288 7.066 ( 0.068 0.000 0.075) 0.101 7.248 ( 0.065 0.000 0.301) 0.308 8.124 ( 0.380 0.000 0.229) 0.444 8.241 ( -0.305 0.000 1.230) 1.267 ======================= Grid point 69 (27/104) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -14.845 0.000 1.473) 14.917 0.807 ( -13.639 0.000 8.144) 15.886 0.994 ( -17.453 0.000 -4.065) 17.920 1.345 ( 3.379 0.000 6.305) 7.154 1.555 ( 0.220 0.000 -2.537) 2.547 1.637 ( -5.213 0.000 1.546) 5.437 1.699 ( 1.122 0.000 -0.715) 1.331 1.896 ( 3.042 0.000 0.820) 3.151 2.027 ( -1.697 0.000 0.334) 1.729 2.055 ( -1.288 0.000 3.486) 3.716 2.211 ( 0.878 0.000 -3.876) 3.974 2.287 ( -5.010 0.000 1.352) 5.189 2.497 ( -6.373 0.000 -2.672) 6.911 2.512 ( 7.188 0.000 1.267) 7.298 2.536 ( 5.930 0.000 2.229) 6.335 2.635 ( 1.126 0.000 2.603) 2.836 2.700 ( -1.191 0.000 -1.544) 1.951 2.730 ( 0.086 0.000 1.739) 1.741 2.889 ( -2.482 0.000 2.333) 3.406 3.092 ( -4.512 0.000 -1.888) 4.891 3.129 ( 1.247 0.000 -1.208) 1.736 3.272 ( -1.635 0.000 0.029) 1.636 3.511 ( -3.839 0.000 -1.901) 4.284 3.587 ( 2.245 0.000 -0.562) 2.314 3.729 ( 2.183 0.000 -3.691) 4.288 4.037 ( 7.111 0.000 -1.162) 7.206 4.171 ( 5.622 0.000 -0.160) 5.624 4.496 ( 1.755 0.000 -0.511) 1.827 4.748 ( 0.172 0.000 -0.386) 0.423 4.907 ( -3.320 0.000 0.606) 3.374 5.432 ( 1.142 0.000 -1.090) 1.578 5.454 ( 0.289 0.000 0.947) 0.990 5.530 ( 0.696 0.000 -0.604) 0.921 5.979 ( -3.673 0.000 -0.048) 3.673 5.989 ( -1.092 0.000 0.220) 1.114 6.088 ( -0.276 0.000 -0.135) 0.307 6.237 ( -0.251 0.000 -0.108) 0.273 6.373 ( -0.553 0.000 -0.032) 0.554 6.508 ( 0.568 0.000 -0.104) 0.578 6.645 ( 2.468 0.000 0.637) 2.549 6.780 ( -0.394 0.000 0.635) 0.747 6.824 ( 1.558 0.000 0.074) 1.560 6.962 ( -0.678 0.000 -0.403) 0.789 6.993 ( 0.250 0.000 0.306) 0.395 7.061 ( -0.675 0.000 0.381) 0.775 7.248 ( -0.132 0.000 -0.190) 0.232 8.126 ( -0.095 0.000 -0.523) 0.532 8.251 ( 0.574 0.000 2.837) 2.895 ======================= Grid point 70 (28/104) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -15.548 0.000 2.646) 15.771 0.410 ( -22.822 0.000 -4.173) 23.201 0.681 ( -15.322 0.000 17.345) 23.143 1.470 ( 3.918 0.000 6.750) 7.805 1.524 ( -1.312 0.000 -2.092) 2.470 1.534 ( -5.431 0.000 2.510) 5.983 1.728 ( 2.151 0.000 -1.699) 2.741 1.932 ( 0.226 0.000 1.199) 1.221 2.027 ( -2.448 0.000 2.095) 3.222 2.050 ( 3.020 0.000 0.211) 3.027 2.222 ( 1.773 0.000 -2.321) 2.921 2.229 ( -1.794 0.000 1.702) 2.473 2.310 ( -6.594 0.000 0.215) 6.597 2.557 ( 0.090 0.000 -1.331) 1.334 2.656 ( -0.141 0.000 -2.844) 2.848 2.668 ( -4.948 0.000 -0.720) 5.000 2.678 ( 4.538 0.000 1.251) 4.707 2.855 ( 12.064 0.000 6.240) 13.583 2.916 ( 3.567 0.000 -0.439) 3.594 2.986 ( -4.634 0.000 -1.356) 4.829 3.169 ( 2.393 0.000 -0.726) 2.501 3.199 ( -5.460 0.000 -1.624) 5.696 3.380 ( -5.227 0.000 -1.005) 5.323 3.630 ( 1.838 0.000 -0.325) 1.866 3.827 ( 6.583 0.000 -0.527) 6.604 4.130 ( 2.385 0.000 -3.568) 4.292 4.248 ( 1.717 0.000 0.692) 1.851 4.516 ( 0.255 0.000 -1.507) 1.528 4.748 ( 0.032 0.000 -0.368) 0.370 4.831 ( -3.747 0.000 0.683) 3.809 5.431 ( -0.648 0.000 -0.642) 0.913 5.463 ( 0.155 0.000 0.793) 0.808 5.577 ( 3.720 0.000 -1.974) 4.211 5.877 ( -5.614 0.000 -0.510) 5.637 5.965 ( -1.119 0.000 0.263) 1.149 6.083 ( -0.210 0.000 -0.199) 0.289 6.235 ( -0.004 0.000 -0.046) 0.046 6.365 ( -0.274 0.000 0.033) 0.276 6.528 ( 0.985 0.000 0.110) 0.991 6.697 ( 2.172 0.000 0.968) 2.378 6.776 ( -0.312 0.000 0.568) 0.648 6.851 ( 0.695 0.000 0.096) 0.701 6.958 ( 0.722 0.000 -0.305) 0.784 7.000 ( 0.161 0.000 0.355) 0.390 7.041 ( -1.434 0.000 0.584) 1.548 7.236 ( -0.916 0.000 -0.853) 1.252 8.120 ( -0.030 0.000 -0.825) 0.825 8.298 ( 2.457 0.000 2.799) 3.724 ======================= Grid point 71 (29/104) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 3.877 7.880 9.432) 12.887 0.509 ( -11.271 4.805 19.328) 22.885 0.713 ( 3.460 26.348 2.919) 26.734 1.263 ( -1.814 -7.759 1.890) 8.190 1.572 ( -3.308 4.783 1.985) 6.145 1.694 ( 3.123 4.626 3.731) 6.714 1.828 ( 1.133 5.583 -2.307) 6.146 1.952 ( 1.305 -1.384 -1.264) 2.284 2.002 ( -0.954 -2.547 -0.674) 2.802 2.075 ( -1.572 2.698 1.466) 3.450 2.223 ( -0.240 3.305 -2.077) 3.911 2.292 ( -2.444 3.979 -0.851) 4.747 2.328 ( 1.502 5.060 -0.266) 5.285 2.512 ( -3.696 -1.897 -1.000) 4.273 2.590 ( 0.859 -4.265 0.050) 4.351 2.691 ( 1.738 0.549 -2.557) 3.140 2.738 ( -2.854 -0.651 -2.771) 4.031 2.777 ( 4.882 -6.777 0.517) 8.369 2.977 ( -1.746 -1.404 -1.767) 2.853 3.041 ( 4.354 -2.846 -0.409) 5.218 3.116 ( 6.019 -1.018 -1.470) 6.279 3.184 ( -7.454 -0.173 1.979) 7.714 3.358 ( 0.373 10.667 -0.424) 10.682 3.686 ( 0.622 1.450 -1.570) 2.226 3.926 ( 1.640 -2.027 0.692) 2.698 4.127 ( 2.259 -0.002 2.181) 3.140 4.246 ( -0.769 -0.642 0.800) 1.282 4.402 ( -0.592 -8.535 -0.537) 8.572 4.763 ( -0.869 -1.758 0.566) 2.041 4.781 ( 1.078 1.724 0.076) 2.035 5.401 ( 0.001 -1.934 -0.683) 2.051 5.470 ( 0.033 -4.984 -0.007) 4.984 5.555 ( -0.088 0.392 -0.054) 0.405 5.749 ( -0.371 -3.174 -0.506) 3.235 6.039 ( 0.360 4.082 -2.802) 4.964 6.126 ( 0.078 3.707 -0.363) 3.726 6.307 ( 0.045 6.175 -0.096) 6.176 6.391 ( -0.105 2.645 0.076) 2.649 6.551 ( -0.129 1.326 0.045) 1.333 6.718 ( -0.538 0.499 1.036) 1.269 6.778 ( -0.151 0.126 0.243) 0.312 6.848 ( 0.283 -0.780 0.033) 0.830 6.951 ( 1.356 -3.149 -0.034) 3.428 6.975 ( -1.227 -2.169 0.328) 2.513 7.009 ( -0.418 -0.594 0.486) 0.874 7.191 ( 0.463 -3.319 0.035) 3.352 8.104 ( -1.205 -0.663 -0.711) 1.548 8.196 ( -2.342 -2.476 3.122) 4.622 ======================= Grid point 72 (30/104) ======================= q-point: ( 0.12 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -2.374 4.123 16.092) 16.780 0.580 ( 10.362 8.255 6.272) 14.658 0.865 ( 7.393 7.912 -1.285) 10.904 1.321 ( 6.266 -4.285 3.806) 8.492 1.496 ( -3.721 10.475 1.014) 11.163 1.763 ( 1.322 3.825 3.404) 5.288 1.841 ( 1.022 5.930 -1.152) 6.127 1.957 ( -0.771 0.083 1.059) 1.312 2.012 ( 0.305 1.756 -0.122) 1.787 2.039 ( -1.186 2.157 0.452) 2.503 2.203 ( -1.186 0.288 -2.951) 3.194 2.298 ( 4.044 -0.016 0.899) 4.143 2.332 ( -0.628 0.331 0.062) 0.713 2.433 ( -3.712 -3.081 -2.138) 5.277 2.550 ( -2.363 1.311 -1.479) 3.081 2.677 ( -0.690 -2.353 0.076) 2.453 2.735 ( 2.169 2.370 -2.397) 4.008 2.837 ( -0.074 -4.134 0.371) 4.151 2.959 ( -1.802 -3.047 3.884) 5.255 2.966 ( -1.713 2.099 -0.634) 2.783 3.180 ( 2.332 -2.816 0.313) 3.670 3.287 ( 7.691 3.933 -2.414) 8.970 3.375 ( 3.149 6.628 -1.187) 7.433 3.656 ( -2.094 2.517 -1.128) 3.463 3.897 ( -4.065 -1.723 0.762) 4.480 4.164 ( -3.008 -1.236 1.615) 3.631 4.221 ( -1.209 -2.174 -0.398) 2.520 4.385 ( -0.574 -8.785 -1.506) 8.931 4.766 ( 0.714 -0.427 -0.074) 0.835 4.824 ( 2.657 0.323 0.358) 2.700 5.381 ( -1.558 -4.142 -0.885) 4.513 5.477 ( 0.500 -4.338 -0.428) 4.388 5.533 ( -1.398 2.916 0.118) 3.237 5.776 ( 2.545 -5.528 -0.501) 6.106 6.026 ( 0.000 4.110 -1.144) 4.266 6.149 ( 2.200 4.616 -0.429) 5.131 6.294 ( -1.097 5.149 -0.072) 5.265 6.401 ( 0.855 3.116 -0.011) 3.232 6.540 ( -0.818 1.537 0.063) 1.742 6.690 ( -2.263 0.775 0.675) 2.485 6.777 ( -0.050 0.059 0.478) 0.484 6.852 ( -0.220 -0.642 0.349) 0.763 6.943 ( -0.839 -3.520 0.486) 3.651 6.986 ( 1.038 -1.918 -0.161) 2.187 7.007 ( 0.040 -0.697 0.352) 0.782 7.205 ( 0.513 -3.976 -0.262) 4.017 8.074 ( -0.676 0.239 -0.882) 1.137 8.195 ( 0.425 -0.978 1.918) 2.195 ======================= Grid point 73 (31/104) ======================= q-point: ( 0.25 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 9.063 3.582 5.312) 11.099 0.801 ( 8.457 6.470 1.761) 10.793 0.999 ( 7.268 4.942 -1.683) 8.949 1.435 ( 0.680 4.739 -0.200) 4.792 1.502 ( 6.088 0.439 1.102) 6.202 1.782 ( -0.412 4.276 2.005) 4.741 1.861 ( 0.587 2.638 0.955) 2.866 1.918 ( -4.897 0.843 1.841) 5.299 1.931 ( -4.383 4.440 -2.104) 6.584 2.088 ( 3.051 -0.320 1.253) 3.314 2.152 ( -1.721 -2.750 -2.628) 4.175 2.305 ( -4.022 2.030 -1.785) 4.846 2.340 ( -0.431 1.896 -3.127) 3.682 2.395 ( 1.193 -0.188 3.894) 4.077 2.589 ( 5.661 -1.000 -0.134) 5.750 2.697 ( 1.788 -4.077 1.191) 4.609 2.775 ( 4.031 3.655 2.881) 6.157 2.815 ( -1.186 3.689 -0.343) 3.890 2.948 ( 1.913 -4.823 2.621) 5.813 3.002 ( 0.626 -1.929 1.790) 2.705 3.224 ( 2.304 -1.525 -1.377) 3.087 3.347 ( 0.981 6.665 1.498) 6.901 3.501 ( 6.548 -0.745 -2.972) 7.229 3.619 ( -0.237 3.948 -2.073) 4.466 3.796 ( -5.148 -0.657 -0.237) 5.195 4.043 ( -8.386 0.462 1.464) 8.526 4.136 ( -6.909 -1.815 -2.482) 7.562 4.367 ( -0.661 -8.157 -0.830) 8.226 4.783 ( 0.932 1.066 -0.109) 1.420 4.880 ( 2.386 -0.443 -0.079) 2.428 5.338 ( -1.633 -6.046 -1.142) 6.365 5.483 ( 0.348 -3.169 -0.741) 3.273 5.519 ( -0.173 4.256 0.452) 4.284 5.825 ( 2.126 -7.875 -0.016) 8.157 6.036 ( 1.117 3.524 -0.301) 3.709 6.194 ( 1.334 6.653 -0.268) 6.791 6.275 ( 0.067 2.874 -0.207) 2.882 6.419 ( 0.838 3.927 -0.075) 4.016 6.525 ( -0.601 1.622 0.090) 1.732 6.640 ( -2.740 0.238 0.387) 2.778 6.779 ( -0.046 -0.229 0.603) 0.647 6.838 ( -1.234 -0.411 0.474) 1.384 6.943 ( 0.414 -3.647 0.426) 3.696 6.997 ( 0.257 -0.825 0.226) 0.893 7.012 ( 0.266 -1.952 -0.382) 2.007 7.208 ( 0.029 -3.607 -0.003) 3.607 8.071 ( 0.643 0.083 -1.004) 1.195 8.213 ( 0.439 -1.361 1.235) 1.890 ======================= Grid point 74 (32/104) ======================= q-point: ( 0.38 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 11.185 0.825 0.854) 11.248 0.940 ( 5.701 -1.396 -1.507) 6.059 1.149 ( 6.350 10.948 2.369) 12.876 1.457 ( 1.358 11.031 -0.531) 11.127 1.618 ( 3.798 -3.652 0.859) 5.339 1.761 ( -5.697 -2.377 3.138) 6.925 1.788 ( -0.876 1.776 -5.260) 5.620 1.826 ( -4.096 4.063 0.652) 5.807 1.918 ( 1.662 0.947 3.744) 4.205 2.119 ( -0.526 5.355 -1.600) 5.613 2.137 ( 0.429 -1.554 0.741) 1.774 2.234 ( -0.367 3.084 -1.881) 3.631 2.323 ( -0.202 1.808 -4.157) 4.538 2.407 ( -0.701 0.661 3.089) 3.235 2.639 ( 0.415 -2.988 -0.343) 3.037 2.741 ( -0.306 -3.591 3.418) 4.967 2.794 ( -0.903 3.844 -0.768) 4.022 2.939 ( 3.375 1.422 2.414) 4.387 3.021 ( 5.946 -0.978 4.063) 7.268 3.057 ( 5.791 -5.637 1.569) 8.232 3.252 ( -0.102 -1.454 -0.928) 1.728 3.380 ( 1.884 1.524 1.611) 2.910 3.528 ( -2.942 0.595 -0.594) 3.060 3.623 ( 0.176 5.573 -1.162) 5.696 3.733 ( 0.380 -0.307 -4.992) 5.016 3.874 ( -7.042 0.840 0.757) 7.132 3.951 ( -8.218 0.026 -2.178) 8.502 4.352 ( -0.461 -7.972 -0.404) 7.996 4.799 ( 0.526 3.019 -0.091) 3.066 4.914 ( 1.131 -1.041 -0.527) 1.625 5.318 ( 0.124 -6.597 -0.818) 6.648 5.489 ( 0.601 -1.308 -0.435) 1.503 5.519 ( -0.229 2.283 0.404) 2.330 5.858 ( 1.031 -8.060 0.302) 8.131 6.063 ( 1.529 3.475 -0.087) 3.797 6.178 ( -1.994 5.290 -0.066) 5.654 6.311 ( 2.627 4.516 -0.268) 5.231 6.427 ( -0.128 3.911 -0.016) 3.913 6.521 ( 0.366 1.022 -0.192) 1.103 6.590 ( -2.129 -0.232 0.268) 2.158 6.781 ( 0.043 -0.476 0.549) 0.728 6.812 ( -1.385 -0.220 0.270) 1.428 6.952 ( 0.124 -3.253 0.405) 3.280 7.001 ( -0.207 -0.517 0.397) 0.684 7.016 ( 0.698 -2.758 -0.844) 2.968 7.209 ( 0.015 -3.248 0.352) 3.267 8.085 ( 0.954 -0.378 -0.445) 1.119 8.223 ( 0.067 -1.658 0.822) 1.852 ======================= Grid point 75 (33/104) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 5.795 0.098 0.092) 5.796 1.018 ( 1.217 -8.159 1.820) 8.448 1.227 ( -0.613 12.745 3.467) 13.222 1.471 ( 0.549 10.476 0.490) 10.502 1.625 ( -2.221 -0.024 -3.119) 3.829 1.675 ( -2.526 -0.508 1.697) 3.085 1.773 ( -1.271 1.516 1.004) 2.218 1.801 ( 2.786 1.950 -1.288) 3.636 1.990 ( 2.642 0.648 4.577) 5.324 2.106 ( 0.814 4.227 -0.033) 4.304 2.171 ( 2.531 1.004 1.480) 3.099 2.227 ( -0.364 4.087 -1.823) 4.490 2.312 ( 0.920 -2.722 -2.723) 3.959 2.423 ( 1.759 1.110 1.255) 2.429 2.634 ( -1.569 -2.835 -0.538) 3.284 2.694 ( -4.362 -2.041 0.731) 4.871 2.766 ( -0.629 2.755 -0.678) 2.906 2.945 ( -1.546 1.131 1.577) 2.481 3.115 ( -5.424 -1.823 2.904) 6.417 3.163 ( 2.754 -2.392 -1.038) 3.792 3.192 ( -3.141 -3.362 0.505) 4.629 3.391 ( -3.183 2.227 -0.225) 3.891 3.464 ( 0.563 0.197 -1.809) 1.905 3.625 ( 0.452 5.969 -0.787) 6.038 3.729 ( 3.376 2.690 -0.740) 4.379 3.814 ( -0.508 -2.835 -2.698) 3.947 3.876 ( 2.670 0.549 0.225) 2.735 4.348 ( 0.391 -7.911 -0.257) 7.925 4.802 ( -0.164 4.003 -0.159) 4.010 4.928 ( 0.693 -1.379 -0.583) 1.650 5.324 ( 0.360 -6.703 -0.305) 6.719 5.501 ( 0.360 -3.593 -0.798) 3.698 5.513 ( -0.190 4.163 0.983) 4.282 5.869 ( -0.056 -7.784 0.316) 7.790 6.085 ( -0.051 3.712 0.007) 3.712 6.148 ( 0.066 4.214 -0.157) 4.217 6.347 ( 0.348 6.921 0.076) 6.930 6.420 ( -0.163 2.564 -0.099) 2.571 6.535 ( 0.496 0.178 0.013) 0.527 6.559 ( -0.459 -0.083 -0.168) 0.496 6.784 ( -0.310 -0.936 -0.256) 1.019 6.791 ( -0.303 0.375 0.667) 0.823 6.951 ( -0.357 -3.101 0.182) 3.126 6.995 ( -0.324 -0.619 -0.022) 0.699 7.030 ( 0.732 -2.777 -0.298) 2.887 7.212 ( -0.008 -3.170 0.540) 3.215 8.102 ( 0.782 -0.687 0.137) 1.050 8.224 ( -0.243 -1.800 0.665) 1.935 ======================= Grid point 76 (34/104) ======================= q-point: (-0.38 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -9.478 -4.421 2.414) 10.734 0.998 ( -5.289 2.080 2.800) 6.336 1.211 ( -2.352 8.756 4.389) 10.073 1.478 ( -0.645 7.812 0.596) 7.861 1.571 ( -4.673 -3.953 -1.360) 6.270 1.631 ( 0.894 6.258 -2.909) 6.959 1.792 ( 2.893 -1.974 -0.073) 3.503 1.859 ( 2.214 6.800 1.790) 7.372 2.045 ( 0.680 -1.071 3.047) 3.301 2.123 ( -2.255 -0.149 1.744) 2.855 2.191 ( 0.888 1.825 -0.361) 2.061 2.258 ( 3.522 1.706 -2.409) 4.595 2.364 ( 5.240 -1.672 4.016) 6.810 2.471 ( -2.001 1.131 2.478) 3.380 2.535 ( -1.616 1.126 -4.288) 4.719 2.650 ( -0.512 -4.599 -1.135) 4.765 2.757 ( -0.157 3.034 -1.011) 3.201 2.875 ( -12.254 1.572 -0.472) 12.364 2.932 ( -2.598 0.758 2.343) 3.580 3.052 ( -6.183 -6.168 0.030) 8.733 3.250 ( 2.137 1.305 -0.611) 2.577 3.319 ( -2.790 3.711 -0.015) 4.642 3.500 ( 2.871 0.471 -1.614) 3.327 3.627 ( 0.428 5.297 -1.036) 5.415 3.764 ( -2.635 -1.999 -3.778) 5.021 3.871 ( 8.404 0.418 0.522) 8.430 4.008 ( 7.755 -1.376 0.053) 7.876 4.368 ( 1.578 -7.675 -0.060) 7.835 4.792 ( -0.596 3.187 -0.275) 3.254 4.933 ( -0.432 -1.239 0.072) 1.314 5.325 ( 0.196 -6.498 -0.535) 6.523 5.493 ( -0.208 -2.159 -0.465) 2.218 5.524 ( 0.264 2.784 0.711) 2.885 5.862 ( -0.829 -8.120 0.400) 8.172 6.062 ( -1.477 3.337 -0.133) 3.652 6.179 ( 2.177 5.303 -0.019) 5.733 6.318 ( -2.703 4.848 -0.049) 5.551 6.426 ( 0.377 4.039 -0.070) 4.058 6.522 ( -0.717 0.926 -0.147) 1.180 6.589 ( 2.423 -0.353 0.151) 2.453 6.776 ( -0.165 -0.831 0.195) 0.870 6.800 ( 0.714 0.213 0.143) 0.759 6.940 ( -0.684 -3.229 -0.097) 3.302 6.991 ( -0.083 -0.412 0.072) 0.426 7.039 ( 0.190 -2.669 0.031) 2.676 7.213 ( -0.107 -3.342 0.453) 3.375 8.116 ( 0.435 -0.721 0.249) 0.878 8.221 ( -0.385 -1.866 1.048) 2.175 ======================= Grid point 77 (35/104) ======================= q-point: (-0.25 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -14.544 -0.548 -1.472) 14.629 0.856 ( -11.016 4.096 10.138) 15.521 1.114 ( -10.379 12.419 1.046) 16.218 1.424 ( -5.923 0.205 1.045) 6.017 1.479 ( -0.158 -0.176 1.911) 1.926 1.659 ( 1.939 6.139 -2.985) 7.096 1.841 ( 1.026 3.359 -0.512) 3.550 1.914 ( 1.923 4.312 1.524) 4.961 2.026 ( -1.924 -0.236 0.533) 2.011 2.088 ( -1.370 1.416 2.455) 3.148 2.218 ( 2.128 2.163 -1.694) 3.475 2.291 ( -1.854 -0.453 0.537) 1.983 2.403 ( 0.767 -4.616 1.562) 4.933 2.509 ( 2.842 1.108 -0.260) 3.062 2.583 ( 2.681 -0.267 -1.833) 3.259 2.642 ( -0.151 -4.573 -1.145) 4.716 2.652 ( -2.914 1.769 5.752) 6.686 2.763 ( 0.426 2.413 -1.797) 3.039 2.869 ( -5.089 -0.244 0.938) 5.181 2.977 ( -1.257 -4.223 -1.040) 4.527 3.246 ( -2.626 -2.008 -0.798) 3.401 3.301 ( 1.658 8.167 -0.691) 8.362 3.512 ( -3.185 1.255 -1.620) 3.787 3.621 ( 0.064 2.151 -2.241) 3.107 3.739 ( 3.512 1.422 -1.765) 4.180 4.028 ( 6.387 -0.590 -0.910) 6.478 4.144 ( 5.380 -2.690 -0.047) 6.015 4.404 ( 1.593 -7.388 -0.189) 7.560 4.778 ( -0.608 1.677 -0.241) 1.800 4.897 ( -3.272 -0.852 0.482) 3.415 5.342 ( 1.944 -6.323 -1.016) 6.693 5.492 ( 0.164 -3.579 -0.504) 3.618 5.526 ( -0.161 4.275 0.703) 4.335 5.837 ( -1.818 -7.947 0.354) 8.160 6.036 ( -0.877 3.550 -0.351) 3.673 6.201 ( -1.273 6.708 -0.065) 6.828 6.274 ( -0.192 2.853 -0.271) 2.872 6.422 ( -0.759 4.284 -0.027) 4.351 6.523 ( 0.792 1.704 -0.013) 1.880 6.644 ( 2.671 -0.023 0.522) 2.722 6.777 ( -0.016 -0.430 0.499) 0.659 6.821 ( 1.242 -0.249 0.077) 1.269 6.925 ( -0.586 -3.258 -0.236) 3.318 6.991 ( 0.033 -0.504 0.224) 0.553 7.037 ( -0.518 -2.399 0.309) 2.474 7.210 ( -0.338 -3.600 0.078) 3.617 8.121 ( 0.061 -0.478 -0.367) 0.605 8.222 ( -0.253 -2.415 2.304) 3.348 ======================= Grid point 78 (36/104) ======================= q-point: (-0.12 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -10.409 7.306 1.650) 12.824 0.667 ( -12.277 6.420 14.122) 19.783 0.835 ( -13.731 22.612 0.582) 26.461 1.327 ( -4.793 -8.599 2.852) 10.249 1.539 ( 3.544 2.096 4.751) 6.287 1.668 ( -0.123 6.013 -1.413) 6.178 1.830 ( -0.770 6.854 -1.230) 7.006 1.937 ( 0.588 0.376 -0.602) 0.921 2.018 ( 0.209 -3.566 -0.160) 3.576 2.083 ( -0.323 3.570 2.501) 4.371 2.248 ( -1.441 3.380 -0.609) 3.724 2.273 ( 3.436 3.909 -0.491) 5.228 2.358 ( -4.329 3.214 -0.113) 5.393 2.531 ( 2.277 -2.509 -0.019) 3.388 2.599 ( -2.142 -4.298 -0.034) 4.802 2.656 ( 4.593 -2.476 0.428) 5.236 2.707 ( -1.834 0.849 -2.661) 3.342 2.804 ( -1.690 -4.996 -1.876) 5.598 2.842 ( 9.970 -0.900 3.976) 10.771 2.969 ( 1.369 0.839 -0.235) 1.623 3.154 ( -5.218 -4.032 -2.057) 6.908 3.337 ( 0.463 9.814 -0.854) 9.862 3.368 ( -7.152 1.735 -1.580) 7.527 3.649 ( 2.768 0.980 -1.580) 3.334 3.840 ( 5.386 1.266 0.131) 5.534 4.107 ( 1.725 -1.367 -1.192) 2.503 4.227 ( 2.433 -2.019 0.678) 3.234 4.417 ( -0.279 -7.817 -0.444) 7.835 4.768 ( -0.211 0.519 0.030) 0.561 4.819 ( -3.896 -0.389 0.276) 3.925 5.383 ( 1.987 -4.518 -0.856) 5.010 5.483 ( -0.850 -4.226 -0.358) 4.326 5.539 ( 1.109 2.640 0.237) 2.873 5.790 ( -2.701 -5.685 -0.082) 6.294 6.030 ( 0.781 4.153 -1.276) 4.414 6.151 ( -2.220 4.506 -0.327) 5.034 6.293 ( 1.198 5.191 -0.128) 5.329 6.403 ( -0.893 3.420 0.035) 3.535 6.543 ( 0.851 1.564 0.104) 1.784 6.696 ( 1.912 0.285 0.909) 2.137 6.778 ( -0.041 0.041 0.392) 0.397 6.843 ( 0.524 -0.631 0.092) 0.825 6.924 ( 0.825 -3.229 -0.187) 3.338 6.991 ( -0.276 -1.069 0.277) 1.138 7.021 ( -1.037 -1.823 0.547) 2.168 7.198 ( -0.759 -3.512 -0.244) 3.602 8.117 ( -0.094 -0.230 -0.851) 0.886 8.226 ( -1.099 -4.244 3.357) 5.522 ======================= Grid point 79 (37/104) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -5.759 10.751 11.321) 16.641 0.677 ( -2.525 12.457 5.966) 14.041 1.047 ( -3.986 -1.900 0.259) 4.423 1.235 ( 0.322 12.038 2.090) 12.223 1.625 ( 2.026 0.875 5.116) 5.571 1.704 ( 0.720 -3.999 2.686) 4.871 1.882 ( 0.647 0.375 0.435) 0.865 1.932 ( -0.391 -3.043 -0.946) 3.211 2.001 ( -0.059 6.160 -0.033) 6.160 2.127 ( -0.169 2.144 1.073) 2.404 2.264 ( -1.438 -4.171 -1.603) 4.694 2.293 ( 0.112 2.875 -4.123) 5.028 2.442 ( -3.273 -0.447 -0.643) 3.366 2.492 ( -3.142 -1.239 -0.186) 3.383 2.575 ( 5.609 4.468 3.629) 8.037 2.610 ( -1.342 -4.052 -0.602) 4.311 2.667 ( -0.599 -1.269 -1.854) 2.325 2.827 ( 4.061 5.120 1.177) 6.641 2.922 ( 2.299 -7.163 0.735) 7.559 2.962 ( -3.454 0.740 -3.469) 4.951 3.090 ( 6.473 0.782 -2.775) 7.086 3.323 ( -3.148 9.082 -0.691) 9.637 3.560 ( 0.400 8.445 -0.685) 8.482 3.706 ( 1.324 1.833 -1.734) 2.849 3.889 ( -0.240 -2.394 0.503) 2.458 4.120 ( 1.815 -1.827 1.382) 2.923 4.203 ( 1.226 -5.337 -1.465) 5.669 4.253 ( -2.760 -3.169 1.162) 4.361 4.718 ( -0.498 -2.159 0.531) 2.278 4.808 ( 0.292 0.137 -0.111) 0.341 5.297 ( 0.356 -8.754 -0.307) 8.766 5.336 ( -0.095 -4.624 -0.878) 4.707 5.626 ( -0.161 3.972 0.288) 3.985 5.704 ( -0.256 -1.110 -0.140) 1.148 6.103 ( 0.258 2.890 -1.818) 3.424 6.189 ( 0.116 2.077 -0.601) 2.165 6.438 ( 0.212 6.468 0.038) 6.472 6.456 ( -0.453 3.842 0.049) 3.869 6.587 ( -0.086 2.210 0.115) 2.215 6.743 ( -0.146 1.882 0.661) 2.000 6.775 ( 0.015 -0.542 0.091) 0.549 6.831 ( 0.173 -0.898 0.046) 0.916 6.868 ( 0.599 -4.817 0.179) 4.858 6.920 ( -0.708 -3.351 0.070) 3.426 6.991 ( -0.149 -0.926 0.583) 1.104 7.109 ( -0.006 -4.588 0.261) 4.596 8.102 ( -0.769 0.380 -0.700) 1.107 8.163 ( -0.389 -1.363 1.984) 2.439 ======================= Grid point 80 (38/104) ======================= q-point: ( 0.12 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.318 8.778 10.341) 13.568 0.740 ( 5.452 10.846 3.889) 12.747 1.042 ( 4.178 1.726 -0.154) 4.523 1.283 ( 2.973 4.236 2.113) 5.590 1.671 ( -0.158 4.439 2.558) 5.126 1.767 ( 2.653 -3.809 2.510) 5.278 1.877 ( -1.848 -2.220 0.011) 2.888 1.924 ( 0.784 -4.125 0.914) 4.297 2.018 ( 1.533 3.836 -0.625) 4.177 2.120 ( -2.390 3.533 2.003) 4.712 2.234 ( -2.956 3.921 -4.619) 6.741 2.257 ( 1.375 -2.811 -0.732) 3.214 2.383 ( -1.669 2.796 1.433) 3.558 2.444 ( 0.223 2.215 -0.870) 2.390 2.551 ( -2.957 -6.051 -0.494) 6.753 2.632 ( 0.522 -4.496 -1.712) 4.839 2.725 ( 4.494 5.559 2.091) 7.448 2.834 ( -3.810 4.239 0.504) 5.721 2.944 ( 3.352 1.056 -0.617) 3.568 3.002 ( 3.398 -0.474 0.267) 3.441 3.156 ( 0.804 0.833 0.316) 1.200 3.348 ( 6.071 4.034 -3.377) 8.033 3.533 ( -2.436 6.818 -0.640) 7.269 3.708 ( 0.165 3.896 -1.506) 4.180 3.862 ( -2.744 -2.270 0.688) 3.627 4.148 ( -1.595 -0.220 2.147) 2.684 4.185 ( -3.473 -5.104 1.866) 6.449 4.207 ( 0.190 -5.410 -3.578) 6.489 4.731 ( 1.469 -2.216 0.018) 2.659 4.828 ( 1.611 -0.874 0.011) 1.833 5.264 ( -2.246 -6.540 -0.619) 6.942 5.357 ( 1.444 -6.348 -0.705) 6.548 5.617 ( -0.749 3.963 0.256) 4.041 5.705 ( 0.435 -1.599 -0.154) 1.665 6.100 ( 0.448 3.480 -1.334) 3.754 6.217 ( 2.760 1.766 -0.621) 3.335 6.404 ( -2.413 5.661 0.007) 6.154 6.477 ( 1.391 4.413 -0.030) 4.627 6.583 ( -0.331 2.542 0.126) 2.567 6.714 ( -2.606 1.589 0.353) 3.072 6.777 ( 0.014 -0.096 0.313) 0.327 6.837 ( -0.279 -1.303 0.284) 1.363 6.855 ( -0.719 -4.588 0.371) 4.659 6.930 ( 0.994 -3.638 -0.364) 3.789 6.990 ( -0.207 -0.795 0.612) 1.025 7.114 ( 0.306 -4.795 0.289) 4.814 8.084 ( -0.496 0.851 -0.702) 1.209 8.169 ( 0.143 -1.538 1.400) 2.085 ======================= Grid point 81 (39/104) ======================= q-point: ( 0.25 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 7.001 7.618 3.823) 11.030 0.871 ( 4.758 5.836 1.978) 7.785 1.205 ( 10.033 4.450 1.192) 11.040 1.382 ( 6.088 2.471 1.945) 6.852 1.643 ( -1.907 3.023 -1.470) 3.864 1.770 ( -3.729 -4.366 0.858) 5.806 1.840 ( -0.211 -0.142 -0.641) 0.689 1.948 ( -0.882 0.117 1.707) 1.925 2.028 ( -5.305 4.075 2.182) 7.036 2.056 ( 2.347 -1.261 -0.121) 2.667 2.198 ( 0.569 4.577 -1.828) 4.962 2.295 ( 0.415 -2.839 2.340) 3.703 2.373 ( 0.071 2.502 -1.270) 2.807 2.466 ( 0.386 0.691 -2.028) 2.177 2.543 ( 3.618 -3.151 0.250) 4.804 2.631 ( 0.432 -1.004 -2.382) 2.621 2.788 ( -0.603 0.147 1.566) 1.684 2.836 ( 5.832 3.406 3.766) 7.733 2.972 ( -1.185 3.098 1.429) 3.612 3.050 ( 1.869 5.224 -0.725) 5.595 3.191 ( 1.971 -1.234 1.008) 2.534 3.424 ( -0.364 0.248 -1.414) 1.481 3.509 ( 3.447 2.718 -3.098) 5.373 3.712 ( 0.503 5.018 -1.707) 5.324 3.788 ( -4.075 0.268 0.931) 4.189 4.053 ( -6.769 0.276 1.884) 7.032 4.107 ( -5.621 -1.033 -1.456) 5.897 4.200 ( -0.051 -7.849 -1.358) 7.966 4.771 ( 2.466 -1.880 -0.393) 3.126 4.864 ( 1.611 -1.871 -0.068) 2.470 5.217 ( -1.703 -5.165 -0.980) 5.526 5.378 ( 0.878 -7.005 -0.505) 7.078 5.603 ( -0.665 3.861 0.335) 3.932 5.721 ( 1.081 -2.618 0.090) 2.834 6.114 ( 1.368 4.202 -0.670) 4.469 6.286 ( 3.957 0.917 -0.559) 4.100 6.347 ( -2.995 5.911 -0.014) 6.627 6.504 ( 1.083 4.138 -0.083) 4.278 6.577 ( -0.367 3.035 0.175) 3.062 6.651 ( -3.457 1.023 0.172) 3.609 6.775 ( -0.458 -0.029 0.486) 0.668 6.818 ( -1.022 -2.560 0.401) 2.786 6.864 ( 0.740 -3.219 0.199) 3.309 6.940 ( 0.271 -4.218 -0.711) 4.286 6.989 ( -0.140 -0.601 0.616) 0.872 7.122 ( 0.298 -4.639 0.482) 4.674 8.077 ( 0.086 0.654 -0.606) 0.896 8.177 ( 0.041 -2.117 0.973) 2.330 ======================= Grid point 82 (40/104) ======================= q-point: ( 0.38 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 4.740 2.609 0.914) 5.487 0.966 ( 5.162 4.917 -0.285) 7.135 1.378 ( 5.146 3.635 -0.176) 6.303 1.527 ( 5.108 0.170 2.812) 5.834 1.597 ( -3.492 -2.691 1.001) 4.521 1.722 ( 2.035 5.494 -1.410) 6.026 1.834 ( 0.090 1.164 -2.528) 2.785 1.912 ( -2.349 2.767 1.448) 3.908 1.964 ( -1.935 5.136 2.842) 6.181 2.099 ( 1.221 -2.406 0.743) 2.799 2.213 ( 1.146 2.653 -0.188) 2.896 2.296 ( -0.452 -2.237 0.580) 2.355 2.339 ( -1.363 4.691 -4.451) 6.609 2.446 ( -0.682 -1.657 0.418) 1.840 2.597 ( -1.840 3.335 -1.263) 4.013 2.673 ( 3.835 -2.717 1.937) 5.084 2.832 ( 3.561 -1.275 0.435) 3.807 2.920 ( -0.299 -1.293 0.882) 1.594 3.010 ( 5.850 1.859 3.687) 7.160 3.069 ( -0.152 2.175 1.245) 2.510 3.217 ( -0.377 0.180 0.835) 0.934 3.404 ( 0.329 1.142 -0.721) 1.390 3.552 ( -0.627 1.312 -1.030) 1.782 3.689 ( 0.130 -2.431 -2.824) 3.728 3.753 ( -0.190 6.062 -0.555) 6.090 3.916 ( -6.709 2.774 0.764) 7.300 3.961 ( -6.190 1.234 -2.652) 6.846 4.190 ( -0.257 -7.673 -0.467) 7.691 4.823 ( 2.564 -1.107 -0.544) 2.845 4.884 ( 0.296 -2.242 -0.334) 2.286 5.192 ( -0.239 -4.880 -0.841) 4.958 5.388 ( 0.327 -7.176 -0.476) 7.199 5.596 ( -0.238 3.952 0.593) 4.004 5.744 ( 0.988 -3.361 0.258) 3.513 6.147 ( 1.966 4.718 -0.301) 5.120 6.279 ( -3.142 4.275 -0.105) 5.306 6.370 ( 4.047 1.927 -0.351) 4.496 6.511 ( -0.818 3.402 -0.020) 3.499 6.571 ( -0.250 3.713 0.101) 3.723 6.589 ( -2.106 0.671 0.013) 2.210 6.768 ( -0.315 -0.702 0.315) 0.831 6.802 ( -0.773 -1.292 0.320) 1.539 6.878 ( 0.395 -3.594 0.293) 3.627 6.939 ( 0.169 -4.781 -0.964) 4.880 6.990 ( -0.115 -0.407 0.590) 0.726 7.130 ( 0.161 -4.367 0.695) 4.425 8.080 ( 0.414 0.124 -0.242) 0.496 8.180 ( -0.157 -2.530 0.672) 2.623 ======================= Grid point 83 (41/104) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 2.013 -1.638 2.241) 3.428 1.059 ( 2.855 4.543 0.229) 5.371 1.436 ( 2.035 2.486 -0.732) 3.295 1.499 ( -4.417 -7.485 -0.514) 8.706 1.570 ( -2.521 2.033 1.747) 3.680 1.788 ( 1.387 10.176 -0.273) 10.273 1.821 ( 0.453 4.087 -3.822) 5.614 1.900 ( 0.818 4.194 2.578) 4.991 1.975 ( 1.357 -0.828 2.289) 2.787 2.107 ( -0.795 -1.783 0.385) 1.990 2.232 ( -0.454 -4.744 -1.538) 5.008 2.273 ( 0.849 5.237 1.594) 5.540 2.352 ( 2.832 5.252 -1.447) 6.140 2.442 ( 0.144 -0.874 0.174) 0.903 2.554 ( -1.166 -0.798 -1.457) 2.030 2.693 ( -1.701 1.840 0.885) 2.658 2.821 ( -1.712 2.329 1.389) 3.207 2.988 ( -1.183 2.121 -0.502) 2.480 3.042 ( -2.097 -5.570 1.364) 6.106 3.115 ( 3.166 -3.194 2.811) 5.303 3.167 ( -4.654 3.393 1.074) 5.859 3.421 ( 0.781 1.204 0.316) 1.470 3.509 ( -0.778 3.330 -1.479) 3.726 3.710 ( 1.835 -4.988 -2.691) 5.957 3.737 ( -0.381 5.055 -1.702) 5.347 3.828 ( -0.718 4.837 -0.622) 4.930 3.898 ( 1.527 1.720 -1.405) 2.695 4.191 ( 0.630 -7.339 -0.189) 7.368 4.857 ( 0.270 0.751 -0.338) 0.867 4.881 ( 0.351 -3.450 -0.696) 3.536 5.195 ( 0.462 -5.223 -0.342) 5.254 5.386 ( -0.238 -7.415 -0.716) 7.453 5.598 ( 0.063 4.131 0.854) 4.218 5.757 ( 0.048 -3.480 0.301) 3.494 6.176 ( -0.134 5.248 -0.215) 5.254 6.235 ( 0.215 4.115 -0.112) 4.122 6.442 ( 1.085 1.891 0.268) 2.197 6.471 ( -0.788 1.580 -0.254) 1.784 6.566 ( -0.015 3.233 -0.169) 3.237 6.573 ( -0.102 2.312 -0.072) 2.316 6.763 ( -0.272 -0.994 -0.072) 1.033 6.792 ( -0.207 -0.642 0.389) 0.779 6.879 ( -0.301 -3.591 0.147) 3.607 6.943 ( 0.609 -4.893 -0.737) 4.985 6.990 ( -0.129 -0.468 0.549) 0.733 7.134 ( -0.134 -4.305 0.792) 4.379 8.090 ( 0.544 -0.312 0.151) 0.645 8.178 ( -0.242 -2.648 0.536) 2.712 ======================= Grid point 84 (42/104) ======================= q-point: (-0.38 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -4.573 0.187 1.624) 4.856 1.059 ( -3.859 4.328 3.156) 6.602 1.399 ( -5.045 -7.004 -0.581) 8.652 1.446 ( -3.030 11.586 1.854) 12.118 1.565 ( 3.731 -8.275 0.473) 9.090 1.746 ( -2.408 6.897 -0.751) 7.344 1.829 ( 0.602 7.123 -2.132) 7.459 1.951 ( 1.223 0.772 2.519) 2.904 2.006 ( 0.524 -2.344 2.076) 3.175 2.085 ( -0.575 -0.879 0.082) 1.053 2.212 ( 0.548 -3.965 -1.828) 4.400 2.307 ( -0.375 4.787 4.289) 6.439 2.429 ( 3.374 4.139 -1.098) 5.452 2.456 ( 1.642 -2.910 0.208) 3.348 2.521 ( -1.299 -1.769 -2.882) 3.623 2.645 ( -1.436 7.093 -1.685) 7.431 2.820 ( -2.588 2.819 2.223) 4.425 2.863 ( -5.512 -2.614 0.515) 6.122 2.938 ( -6.924 -1.915 0.698) 7.218 3.053 ( -4.375 8.418 -0.628) 9.508 3.195 ( 0.887 -5.680 -0.027) 5.749 3.415 ( -0.852 4.098 -0.290) 4.196 3.546 ( 4.180 3.595 -1.063) 5.615 3.697 ( -1.134 -2.143 -3.028) 3.879 3.741 ( 0.760 3.854 -0.936) 4.038 3.897 ( 6.498 2.422 0.159) 6.936 3.972 ( 4.982 -2.176 -1.538) 5.650 4.220 ( 2.193 -6.594 0.185) 6.952 4.831 ( -1.991 0.180 -0.208) 2.010 4.892 ( 0.204 -2.994 -0.183) 3.007 5.200 ( 0.295 -5.143 -0.543) 5.180 5.378 ( 0.008 -7.793 -0.782) 7.832 5.604 ( 0.140 4.045 0.865) 4.139 5.750 ( -0.806 -3.177 0.424) 3.305 6.145 ( -1.704 4.785 -0.373) 5.093 6.282 ( 3.183 4.409 -0.014) 5.437 6.379 ( -4.097 1.799 -0.097) 4.476 6.514 ( 1.368 3.379 0.114) 3.647 6.567 ( 0.182 3.516 -0.020) 3.521 6.585 ( 1.971 0.689 -0.163) 2.094 6.759 ( 0.072 -0.571 0.021) 0.576 6.796 ( 0.253 -1.201 0.189) 1.242 6.870 ( -0.566 -3.191 -0.021) 3.241 6.953 ( 0.507 -4.488 -0.365) 4.532 6.990 ( -0.143 -0.787 0.520) 0.954 7.132 ( -0.439 -4.466 0.746) 4.549 8.103 ( 0.515 -0.445 0.285) 0.738 8.176 ( -0.294 -2.506 0.715) 2.622 ======================= Grid point 85 (43/104) ======================= q-point: (-0.25 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -7.185 7.829 0.021) 10.627 0.942 ( -9.520 5.032 8.000) 13.415 1.282 ( -6.990 -6.732 3.181) 10.213 1.371 ( -4.750 9.505 2.947) 11.027 1.613 ( -0.875 4.365 -1.323) 4.645 1.746 ( 1.758 -1.123 -0.058) 2.087 1.833 ( 1.004 3.747 -1.238) 4.072 1.934 ( -2.275 -4.866 1.163) 5.496 2.031 ( 0.908 -0.257 0.470) 1.054 2.106 ( 1.411 1.709 1.600) 2.733 2.241 ( 2.515 -3.621 0.185) 4.412 2.327 ( 1.500 6.869 3.563) 7.882 2.367 ( -4.716 1.405 -1.052) 5.032 2.483 ( -0.039 -7.448 -0.972) 7.512 2.549 ( 2.241 -1.779 -3.730) 4.701 2.645 ( -0.108 6.854 -3.186) 7.559 2.705 ( -0.915 4.526 5.479) 7.165 2.788 ( -5.463 -1.480 1.314) 5.811 2.889 ( -0.503 2.675 -1.273) 3.005 2.977 ( -1.380 3.909 -3.002) 5.118 3.163 ( -3.133 -5.076 -1.020) 6.051 3.426 ( 2.568 2.826 -1.542) 4.118 3.564 ( -3.126 3.908 -1.059) 5.115 3.672 ( 0.569 4.082 -2.798) 4.981 3.786 ( 3.866 2.710 0.658) 4.767 4.026 ( 4.804 0.297 -1.421) 5.019 4.065 ( 4.913 -5.024 0.217) 7.030 4.268 ( 1.861 -5.745 0.236) 6.044 4.787 ( -2.153 -0.772 0.120) 2.290 4.873 ( -2.149 -2.011 0.194) 2.950 5.214 ( 1.720 -5.646 -1.055) 5.995 5.377 ( -0.049 -7.538 -0.551) 7.558 5.612 ( 0.256 3.958 0.622) 4.015 5.733 ( -1.020 -2.671 0.464) 2.897 6.115 ( -0.868 4.373 -0.657) 4.506 6.290 ( -3.867 0.898 -0.469) 3.998 6.351 ( 2.914 6.117 0.100) 6.777 6.511 ( -1.120 4.179 0.125) 4.329 6.576 ( 0.519 3.094 0.098) 3.139 6.648 ( 3.516 0.549 0.120) 3.561 6.767 ( 0.524 -0.178 0.238) 0.602 6.804 ( 0.668 -2.339 0.029) 2.432 6.857 ( -0.660 -2.523 -0.020) 2.608 6.956 ( -0.126 -3.989 -0.109) 3.992 6.989 ( -0.125 -1.064 0.542) 1.200 7.124 ( -0.610 -4.687 0.544) 4.758 8.112 ( 0.336 -0.264 -0.060) 0.431 8.173 ( -0.494 -2.330 1.379) 2.752 ======================= Grid point 86 (44/104) ======================= q-point: (-0.12 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -4.370 14.841 3.189) 15.796 0.777 ( -10.213 6.558 11.363) 16.627 1.156 ( -6.854 -6.461 4.165) 10.299 1.277 ( -4.650 15.260 0.111) 15.953 1.584 ( -0.487 3.575 2.092) 4.171 1.726 ( -2.757 -3.138 0.714) 4.238 1.859 ( 1.417 0.662 -0.261) 1.586 1.930 ( 0.751 -3.543 0.368) 3.641 2.022 ( -1.482 3.850 -0.180) 4.129 2.126 ( -0.117 1.757 1.358) 2.224 2.292 ( 1.475 -1.997 -1.205) 2.760 2.302 ( -1.392 -1.194 -0.818) 2.008 2.427 ( 5.843 5.256 2.803) 8.344 2.465 ( 0.263 -5.547 0.262) 5.559 2.545 ( -0.999 -1.639 -2.316) 3.008 2.615 ( -0.132 2.472 -0.194) 2.483 2.711 ( -2.647 -0.570 0.504) 2.754 2.818 ( -1.746 5.504 -0.153) 5.776 2.825 ( 5.380 -1.095 -1.861) 5.797 2.987 ( 2.590 -1.484 -1.224) 3.226 3.076 ( -4.233 -0.511 -2.691) 5.042 3.425 ( -4.715 3.322 -1.480) 5.954 3.524 ( 2.588 7.644 -0.854) 8.115 3.680 ( 1.482 3.756 -2.177) 4.587 3.863 ( 2.548 0.403 0.821) 2.708 4.081 ( 2.020 -2.210 -0.862) 3.116 4.160 ( 3.460 -4.138 0.241) 5.399 4.284 ( -0.571 -4.759 0.551) 4.825 4.745 ( -2.054 -1.882 0.518) 2.833 4.824 ( -1.919 -0.241 -0.114) 1.938 5.258 ( 2.711 -6.810 -0.812) 7.375 5.363 ( -1.158 -6.637 -0.556) 6.761 5.621 ( 0.379 3.997 0.402) 4.035 5.715 ( -0.800 -1.790 0.174) 1.968 6.104 ( 0.156 3.583 -1.284) 3.809 6.218 ( -2.569 1.893 -0.555) 3.238 6.405 ( 2.212 5.825 0.028) 6.231 6.484 ( -1.501 4.410 0.157) 4.662 6.585 ( 0.284 2.401 0.130) 2.421 6.713 ( 2.483 1.361 0.433) 2.865 6.775 ( 0.060 -0.336 0.145) 0.371 6.826 ( 1.029 -2.033 0.034) 2.279 6.847 ( 0.100 -3.154 0.069) 3.157 6.944 ( -1.101 -3.738 0.093) 3.898 6.990 ( -0.058 -1.018 0.587) 1.176 7.114 ( -0.532 -4.658 0.315) 4.699 8.114 ( -0.055 0.031 -0.615) 0.618 8.167 ( -0.874 -2.046 2.128) 3.079 ======================= Grid point 87 (45/104) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -6.058 8.679 10.052) 14.597 0.900 ( -3.520 -3.466 4.476) 6.667 1.008 ( -0.303 13.153 2.673) 13.426 1.298 ( -0.338 -10.647 0.602) 10.669 1.630 ( -2.777 5.952 0.430) 6.583 1.725 ( 0.566 1.562 2.954) 3.389 1.842 ( -0.762 -3.843 -0.618) 3.966 1.868 ( 0.003 -3.057 -0.833) 3.169 2.089 ( 1.991 4.049 1.625) 4.796 2.162 ( 1.166 -2.439 3.668) 4.557 2.229 ( -0.241 4.362 -0.809) 4.443 2.352 ( 1.079 -4.756 -0.804) 4.943 2.373 ( 0.287 3.071 -4.075) 5.111 2.461 ( -1.528 -3.019 -1.292) 3.622 2.568 ( -3.100 1.304 -1.987) 3.906 2.609 ( -4.916 -1.620 -1.356) 5.351 2.687 ( 3.127 2.535 3.985) 5.664 2.771 ( 4.650 -6.334 3.083) 8.441 2.925 ( 3.004 2.959 -0.765) 4.285 2.967 ( 2.365 -1.256 -0.702) 2.768 3.235 ( 1.620 12.085 -3.555) 12.701 3.412 ( -0.183 -3.085 -2.185) 3.785 3.669 ( -0.474 6.130 -0.088) 6.149 3.807 ( -1.169 -6.010 0.543) 6.146 3.828 ( 0.733 8.760 -1.322) 8.890 3.998 ( 1.347 -8.207 -1.474) 8.446 4.174 ( 0.169 1.334 0.802) 1.565 4.213 ( -0.870 -2.141 0.421) 2.349 4.704 ( -0.553 1.354 0.281) 1.489 4.767 ( -0.257 -3.936 -0.071) 3.945 5.197 ( 0.287 -0.867 -0.357) 0.980 5.241 ( 0.233 -4.356 -0.692) 4.416 5.682 ( -0.171 1.645 0.209) 1.667 5.696 ( -0.212 -0.121 0.092) 0.261 6.159 ( 0.127 2.675 -1.467) 3.054 6.198 ( 0.081 -1.034 -1.079) 1.497 6.532 ( 0.003 3.028 0.084) 3.029 6.536 ( -0.266 2.787 0.181) 2.805 6.639 ( 0.066 3.443 0.167) 3.448 6.730 ( 0.294 -4.892 -0.039) 4.901 6.783 ( -0.047 1.817 0.207) 1.830 6.796 ( -0.020 -0.188 -0.183) 0.263 6.823 ( 0.043 -0.649 0.400) 0.763 6.851 ( -0.271 -3.312 0.010) 3.323 6.986 ( -0.153 0.758 0.726) 1.060 7.027 ( -0.149 -3.354 0.612) 3.413 8.116 ( -0.387 0.960 -0.026) 1.036 8.138 ( -0.193 -1.205 0.936) 1.538 ======================= Grid point 88 (46/104) ======================= q-point: ( 0.12 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 1.558 10.088 7.070) 12.417 0.909 ( 2.199 -3.766 4.233) 6.077 1.057 ( 4.128 12.234 1.937) 13.056 1.323 ( 2.512 -8.076 0.323) 8.464 1.624 ( 0.910 1.862 2.627) 3.347 1.739 ( 1.597 -5.001 2.056) 5.638 1.829 ( -0.768 -0.097 -0.543) 0.946 1.858 ( -0.776 -2.067 -0.617) 2.293 2.121 ( -0.280 5.502 0.927) 5.587 2.187 ( -1.680 3.445 3.426) 5.141 2.198 ( -1.402 -1.410 -1.044) 2.246 2.332 ( -3.333 -4.323 -1.020) 5.553 2.366 ( 0.717 2.227 -1.601) 2.835 2.458 ( 2.237 -1.652 -2.770) 3.925 2.486 ( -1.879 1.012 -0.795) 2.278 2.534 ( -1.377 -3.277 -1.723) 3.950 2.780 ( 3.526 3.256 3.692) 6.055 2.876 ( 4.303 -5.600 0.764) 7.104 3.006 ( 2.498 5.612 0.133) 6.145 3.053 ( 6.317 1.617 2.440) 6.962 3.217 ( -1.727 8.202 -3.106) 8.939 3.375 ( -1.615 -4.035 -2.750) 5.143 3.648 ( -1.288 6.707 -0.734) 6.869 3.780 ( -1.672 -5.292 -0.010) 5.550 3.846 ( 1.434 8.171 -0.756) 8.330 4.017 ( 0.606 -8.610 -0.458) 8.644 4.158 ( -2.211 0.912 1.022) 2.601 4.178 ( -2.542 -1.027 -0.596) 2.805 4.711 ( 1.116 0.859 -0.156) 1.417 4.771 ( 0.754 -4.365 -0.231) 4.435 5.191 ( -0.573 -0.128 -0.353) 0.685 5.243 ( 0.257 -4.791 -0.606) 4.836 5.674 ( -0.637 1.784 0.130) 1.898 5.692 ( -0.173 -0.337 0.041) 0.381 6.166 ( 1.238 3.119 -1.295) 3.597 6.215 ( 1.993 -1.637 -1.032) 2.778 6.513 ( -1.377 4.785 0.085) 4.980 6.545 ( 0.539 1.635 0.122) 1.726 6.632 ( -0.662 2.654 0.222) 2.744 6.713 ( -2.104 -4.812 0.161) 5.254 6.764 ( -0.449 2.067 -0.127) 2.119 6.807 ( -0.898 1.035 0.461) 1.445 6.819 ( 0.584 -1.833 -0.115) 1.927 6.854 ( 0.264 -3.532 -0.184) 3.547 6.988 ( 0.000 0.914 0.774) 1.198 7.031 ( 0.199 -3.389 0.676) 3.461 8.107 ( -0.450 1.407 -0.062) 1.478 8.137 ( -0.229 -1.662 0.711) 1.822 ======================= Grid point 89 (47/104) ======================= q-point: ( 0.25 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 5.328 10.179 3.434) 11.992 0.988 ( 2.901 0.695 3.099) 4.301 1.188 ( 7.159 3.478 1.089) 8.033 1.382 ( 1.999 -10.142 0.607) 10.355 1.673 ( 2.527 7.824 3.771) 9.045 1.788 ( -0.344 2.250 -1.124) 2.539 1.808 ( 0.254 -2.919 -0.559) 2.983 1.873 ( 3.739 -6.342 2.822) 7.885 2.093 ( -1.490 4.965 -1.203) 5.321 2.133 ( -2.449 5.646 2.092) 6.500 2.185 ( -1.766 -3.381 0.875) 3.914 2.276 ( -1.273 -6.172 0.892) 6.365 2.363 ( -0.617 3.099 -0.290) 3.174 2.453 ( -2.093 -3.705 -0.475) 4.281 2.498 ( 5.007 1.989 -3.618) 6.490 2.570 ( 4.756 -4.207 -3.455) 7.229 2.868 ( 2.780 4.527 2.649) 5.936 2.933 ( 0.078 -0.197 -0.005) 0.212 3.020 ( -0.247 6.713 1.785) 6.950 3.132 ( -3.456 -2.223 0.569) 4.148 3.205 ( 4.976 6.775 0.052) 8.407 3.356 ( 1.647 -6.461 -2.740) 7.209 3.618 ( -1.063 6.854 -1.795) 7.164 3.725 ( -3.754 -3.388 -0.118) 5.058 3.872 ( 1.052 7.193 -0.180) 7.272 4.008 ( -1.955 -5.794 1.527) 6.303 4.095 ( -4.321 0.150 0.334) 4.336 4.109 ( -2.772 -1.282 -2.375) 3.869 4.743 ( 2.095 0.015 -0.677) 2.202 4.793 ( 1.347 -4.464 -0.462) 4.685 5.175 ( -0.600 1.098 -0.439) 1.326 5.246 ( 0.243 -5.637 -0.311) 5.651 5.663 ( -0.376 2.220 0.140) 2.256 5.693 ( 0.248 -1.013 0.085) 1.046 6.195 ( 2.032 3.913 -0.826) 4.486 6.261 ( 2.635 -2.639 -0.757) 3.805 6.476 ( -2.176 6.247 0.058) 6.615 6.551 ( -0.408 -0.373 0.131) 0.568 6.622 ( -0.325 1.812 0.158) 1.848 6.664 ( -2.111 -1.393 0.159) 2.534 6.761 ( -0.005 0.196 -0.013) 0.196 6.785 ( -1.202 0.626 0.353) 1.401 6.828 ( 0.316 -1.363 -0.193) 1.412 6.853 ( -0.160 -3.951 -0.479) 3.983 6.993 ( 0.112 1.257 0.823) 1.507 7.041 ( 0.350 -3.444 0.800) 3.553 8.098 ( -0.319 1.509 -0.046) 1.543 8.135 ( -0.312 -2.118 0.526) 2.205 ======================= Grid point 90 (48/104) ======================= q-point: ( 0.38 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 1.496 9.853 2.154) 10.196 1.064 ( 3.642 1.830 1.677) 4.408 1.301 ( 3.182 -3.747 -2.213) 5.391 1.384 ( -1.348 -9.548 -0.599) 9.662 1.718 ( 0.996 7.257 1.357) 7.450 1.813 ( 1.068 -2.931 -0.329) 3.137 1.860 ( 6.352 6.945 1.486) 9.528 1.947 ( 0.505 -0.583 1.357) 1.561 2.066 ( -0.390 0.969 -1.572) 1.887 2.100 ( -2.214 6.243 1.939) 6.902 2.153 ( -0.667 -4.020 0.083) 4.076 2.280 ( 0.543 -7.307 1.691) 7.520 2.348 ( -0.794 2.290 0.426) 2.461 2.397 ( -2.016 -1.034 -1.274) 2.600 2.642 ( 7.974 0.198 -1.480) 8.113 2.671 ( 6.257 -1.048 -3.003) 7.019 2.848 ( -2.415 4.904 1.473) 5.662 2.912 ( -3.418 -1.021 0.952) 3.692 3.040 ( 0.910 1.252 3.103) 3.467 3.071 ( -1.956 -1.375 -0.071) 2.392 3.288 ( 2.075 5.731 0.942) 6.167 3.393 ( 1.911 -3.561 -1.015) 4.167 3.588 ( -0.942 2.887 -1.973) 3.622 3.641 ( -3.308 -2.225 -0.707) 4.048 3.875 ( -1.108 5.643 -0.328) 5.760 3.944 ( -4.370 -0.707 1.129) 4.569 4.005 ( -3.095 2.716 -2.341) 4.736 4.068 ( -0.399 -4.504 -1.168) 4.671 4.784 ( 2.089 -1.297 -0.902) 2.619 4.813 ( 0.882 -3.972 -0.805) 4.148 5.166 ( -0.124 2.070 -0.314) 2.097 5.250 ( 0.208 -6.080 -0.174) 6.086 5.661 ( 0.101 2.655 0.317) 2.676 5.702 ( 0.505 -1.673 0.190) 1.758 6.236 ( 2.208 4.126 -0.418) 4.698 6.299 ( 0.826 -1.906 -0.340) 2.105 6.439 ( -0.778 4.838 -0.153) 4.902 6.518 ( -2.588 -2.448 0.029) 3.562 6.624 ( 0.432 2.555 0.019) 2.591 6.642 ( -0.284 1.781 0.106) 1.806 6.758 ( -0.397 -0.644 0.180) 0.778 6.766 ( -0.666 -0.501 0.277) 0.878 6.831 ( 0.098 -1.424 -0.184) 1.440 6.847 ( -0.011 -3.683 -0.720) 3.753 6.999 ( 0.014 1.563 0.820) 1.765 7.050 ( 0.177 -3.525 0.867) 3.634 8.094 ( -0.083 1.300 0.074) 1.305 8.131 ( -0.276 -2.327 0.411) 2.379 ======================= Grid point 91 (49/104) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.249 8.991 2.126) 9.242 1.129 ( 1.293 -1.452 2.101) 2.863 1.304 ( -0.663 -5.172 -2.848) 5.941 1.363 ( 0.329 -6.355 -2.466) 6.825 1.721 ( -1.694 8.294 -0.102) 8.466 1.848 ( 1.665 -3.880 0.365) 4.238 1.911 ( -2.747 2.778 -1.526) 4.194 1.961 ( 1.532 0.741 0.268) 1.723 2.021 ( -1.694 5.724 -1.402) 6.132 2.115 ( 1.254 2.205 2.057) 3.266 2.141 ( -0.618 -1.464 -0.407) 1.640 2.296 ( -0.137 -9.651 1.298) 9.739 2.346 ( 0.466 2.588 1.798) 3.185 2.385 ( 1.057 -1.230 0.022) 1.622 2.678 ( -1.736 7.319 -2.605) 7.961 2.747 ( 1.798 1.661 -1.077) 2.674 2.841 ( -1.158 0.774 0.380) 1.444 2.918 ( 1.301 -5.774 1.667) 6.150 3.021 ( -1.116 1.674 2.940) 3.563 3.063 ( -1.639 -2.305 3.635) 4.606 3.294 ( -1.307 7.758 0.098) 7.868 3.414 ( 0.644 -3.240 0.160) 3.308 3.567 ( 0.585 2.446 -1.614) 2.988 3.618 ( 1.069 -3.445 -1.746) 4.008 3.829 ( -1.486 4.218 -2.108) 4.944 3.884 ( -0.999 -0.576 -0.496) 1.255 3.971 ( 0.576 5.570 -2.284) 6.048 4.072 ( 1.116 -4.990 -0.461) 5.134 4.811 ( 0.775 -2.320 -0.838) 2.586 4.823 ( 0.502 -3.000 -0.704) 3.122 5.164 ( -0.058 2.038 -0.225) 2.052 5.247 ( -0.400 -5.998 -0.409) 6.025 5.667 ( 0.150 2.818 0.549) 2.875 5.711 ( 0.151 -1.872 0.340) 1.909 6.271 ( 0.024 3.639 -0.238) 3.647 6.293 ( 0.247 1.345 -0.005) 1.367 6.452 ( 0.668 0.207 -0.032) 0.700 6.468 ( -0.691 -1.175 -0.469) 1.442 6.631 ( 0.041 2.922 -0.027) 2.922 6.640 ( -0.138 2.526 0.016) 2.530 6.752 ( -0.047 -0.145 0.235) 0.281 6.760 ( -0.177 -1.675 0.250) 1.703 6.831 ( -0.007 -1.353 -0.224) 1.371 6.848 ( 0.433 -3.708 -0.636) 3.787 7.001 ( -0.211 1.700 0.796) 1.889 7.055 ( -0.200 -3.588 0.882) 3.700 8.096 ( 0.214 0.974 0.239) 1.026 8.129 ( -0.086 -2.245 0.382) 2.279 ======================= Grid point 92 (50/104) ======================= q-point: (-0.38 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.369 9.325 2.404) 9.637 1.137 ( -1.905 -0.336 3.966) 4.413 1.258 ( -3.382 -3.652 -2.347) 5.503 1.360 ( 0.215 -9.666 -1.259) 9.750 1.662 ( -3.205 9.983 -0.399) 10.493 1.832 ( -2.616 -4.397 -1.183) 5.251 1.872 ( -1.033 0.943 1.227) 1.861 1.938 ( -2.276 -2.426 2.257) 4.020 2.018 ( 1.312 7.289 -1.712) 7.602 2.134 ( 0.258 -1.844 -0.815) 2.033 2.147 ( 1.186 3.446 1.418) 3.911 2.296 ( -0.217 -9.008 1.758) 9.180 2.363 ( -0.034 1.474 1.682) 2.237 2.407 ( 0.440 -2.878 0.082) 2.913 2.654 ( 0.161 7.354 -2.732) 7.847 2.742 ( -0.926 -1.085 -1.536) 2.096 2.840 ( -2.555 2.763 2.527) 4.533 2.864 ( -0.491 0.932 1.312) 1.682 2.948 ( -7.168 3.120 0.094) 7.818 3.061 ( -1.521 -7.208 -1.118) 7.451 3.250 ( -2.554 10.252 -0.565) 10.580 3.412 ( -1.310 -5.077 -0.539) 5.271 3.617 ( 4.266 3.191 -0.854) 5.395 3.658 ( 3.596 -1.258 -0.742) 3.881 3.824 ( 1.297 4.027 -1.525) 4.497 3.900 ( 2.370 -3.428 -0.959) 4.277 3.996 ( 2.948 5.700 -1.469) 6.583 4.110 ( 2.707 -5.263 -0.254) 5.924 4.806 ( -1.072 -1.353 -0.196) 1.737 4.825 ( -0.156 -3.145 -0.454) 3.181 5.161 ( -0.022 1.318 -0.456) 1.395 5.236 ( -0.255 -5.922 -0.620) 5.960 5.671 ( -0.043 2.632 0.611) 2.702 5.710 ( -0.366 -1.591 0.444) 1.692 6.238 ( -1.863 4.423 -0.384) 4.815 6.306 ( -0.560 -1.942 -0.168) 2.028 6.440 ( 0.737 4.404 -0.118) 4.467 6.515 ( 2.908 -2.558 -0.065) 3.874 6.624 ( -0.575 2.370 -0.019) 2.439 6.638 ( 0.025 1.917 -0.026) 1.917 6.759 ( 0.251 -0.396 0.240) 0.527 6.761 ( 0.521 0.096 0.107) 0.540 6.830 ( 0.042 -1.167 -0.221) 1.189 6.856 ( 0.492 -4.298 -0.430) 4.348 6.998 ( -0.419 1.613 0.786) 1.843 7.051 ( -0.569 -3.589 0.871) 3.737 8.104 ( 0.418 0.697 0.344) 0.883 8.131 ( 0.077 -1.934 0.473) 1.993 ======================= Grid point 93 (51/104) ======================= q-point: (-0.25 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -2.311 12.439 4.154) 13.316 1.068 ( -6.130 8.684 4.036) 11.370 1.147 ( -7.133 -5.944 3.017) 9.763 1.355 ( -0.907 -14.256 0.075) 14.285 1.627 ( 0.014 6.929 2.798) 7.473 1.789 ( -2.027 -8.294 1.317) 8.639 1.834 ( -2.202 6.273 0.583) 6.674 1.914 ( -1.332 -0.295 1.508) 2.034 2.045 ( 1.715 3.716 -1.899) 4.512 2.129 ( -0.265 -1.751 -0.889) 1.981 2.189 ( 2.141 1.493 1.068) 2.821 2.307 ( 0.661 -8.075 0.897) 8.151 2.373 ( 1.037 1.562 -0.544) 1.952 2.419 ( 1.564 -2.136 -0.478) 2.690 2.612 ( -3.815 6.931 1.067) 7.983 2.696 ( -3.102 -1.525 3.288) 4.770 2.769 ( -6.099 3.767 0.854) 7.219 2.843 ( 0.170 2.938 -6.143) 6.811 2.907 ( 2.224 -0.252 -1.225) 2.552 2.974 ( -3.869 -4.921 -4.246) 7.564 3.206 ( -1.064 9.648 -0.749) 9.735 3.380 ( -0.321 -6.505 -1.874) 6.777 3.673 ( 1.196 5.825 -0.150) 5.949 3.743 ( 3.962 0.211 -0.354) 3.983 3.842 ( 0.442 4.301 -0.303) 4.334 3.946 ( 2.421 -5.601 -1.019) 6.186 4.074 ( 4.341 3.866 -0.332) 5.823 4.168 ( 2.689 -5.005 -0.057) 5.681 4.770 ( -2.174 -0.017 0.221) 2.186 4.809 ( -1.280 -3.701 0.078) 3.917 5.164 ( 0.747 0.923 -0.764) 1.412 5.236 ( 0.471 -5.948 -0.615) 5.999 5.673 ( 0.078 2.250 0.469) 2.300 5.703 ( -0.406 -1.064 0.417) 1.213 6.201 ( -1.511 4.114 -0.691) 4.437 6.268 ( -2.337 -2.529 -0.583) 3.493 6.478 ( 2.256 6.101 0.144) 6.507 6.555 ( 0.514 -0.653 0.273) 0.875 6.619 ( 0.243 1.459 0.061) 1.480 6.652 ( 1.871 -1.310 -0.189) 2.292 6.763 ( 0.136 0.858 0.072) 0.872 6.780 ( 1.052 1.017 0.203) 1.477 6.828 ( -0.198 -1.078 -0.126) 1.104 6.862 ( 0.251 -4.674 -0.273) 4.688 6.992 ( -0.473 1.330 0.783) 1.614 7.041 ( -0.719 -3.520 0.816) 3.684 8.114 ( 0.375 0.545 0.281) 0.718 8.135 ( 0.009 -1.519 0.717) 1.680 ======================= Grid point 94 (52/104) ======================= q-point: (-0.12 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -9.189 7.715 9.778) 15.478 0.988 ( -4.804 7.943 0.857) 9.322 1.030 ( -4.492 2.266 6.867) 8.513 1.323 ( -2.011 -11.773 0.748) 11.967 1.664 ( 0.939 4.350 4.181) 6.106 1.730 ( -4.117 4.600 0.591) 6.202 1.829 ( 1.457 -2.853 0.096) 3.205 1.892 ( -1.386 -2.513 0.299) 2.885 2.058 ( 0.821 2.695 -1.416) 3.153 2.128 ( 0.384 -3.215 1.926) 3.767 2.227 ( 0.913 1.908 -0.190) 2.123 2.330 ( 1.455 -7.056 -0.699) 7.238 2.385 ( 0.449 4.920 -3.270) 5.925 2.469 ( 2.609 -3.349 -2.381) 4.867 2.563 ( -0.292 6.798 3.152) 7.499 2.667 ( -1.722 -0.365 4.062) 4.427 2.687 ( -1.861 0.069 2.536) 3.147 2.760 ( -4.375 -5.666 -6.036) 9.364 2.919 ( -0.760 2.203 -2.614) 3.502 2.936 ( 1.602 -0.951 -1.923) 2.677 3.207 ( 1.737 11.092 -2.392) 11.480 3.395 ( 2.241 -6.474 -2.192) 7.193 3.677 ( -0.369 8.109 0.070) 8.117 3.799 ( 1.717 1.570 -0.444) 2.369 3.837 ( -0.656 1.885 -0.033) 1.996 3.979 ( 1.384 -7.085 -1.511) 7.376 4.145 ( 2.382 2.244 0.338) 3.290 4.209 ( 1.076 -3.573 0.363) 3.749 4.729 ( -1.875 0.837 0.452) 2.102 4.782 ( -1.189 -3.673 0.127) 3.862 5.182 ( 1.157 -0.039 -0.607) 1.307 5.241 ( 0.194 -5.216 -0.679) 5.264 5.679 ( 0.264 1.859 0.307) 1.903 5.699 ( -0.181 -0.469 0.263) 0.567 6.172 ( -0.815 3.211 -1.131) 3.500 6.221 ( -1.714 -1.439 -0.868) 2.400 6.516 ( 1.222 4.809 0.169) 4.965 6.549 ( -0.739 1.520 0.240) 1.706 6.629 ( 0.634 2.294 0.121) 2.383 6.702 ( 2.403 -4.530 -0.150) 5.130 6.767 ( 0.400 2.168 0.047) 2.205 6.803 ( 0.858 1.219 0.292) 1.519 6.819 ( -0.566 -1.437 -0.023) 1.545 6.861 ( -0.383 -4.192 -0.067) 4.210 6.987 ( -0.320 0.966 0.751) 1.265 7.031 ( -0.532 -3.411 0.696) 3.521 8.120 ( 0.033 0.576 0.060) 0.580 8.137 ( -0.185 -1.161 0.997) 1.542 ======================= Grid point 119 (53/104) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 0.296 0.000 5.313) 5.321 0.666 ( 9.529 0.000 12.636) 15.826 0.888 ( -4.956 0.000 15.384) 16.163 1.382 ( -4.073 0.000 -0.493) 4.103 1.447 ( -4.010 0.000 -1.170) 4.177 1.676 ( 1.597 0.000 0.010) 1.597 1.768 ( 2.398 0.000 2.421) 3.407 1.954 ( -0.404 0.000 1.071) 1.145 2.026 ( -3.037 0.000 2.759) 4.104 2.038 ( 0.011 0.000 -1.283) 1.284 2.171 ( -0.841 0.000 -1.184) 1.452 2.233 ( 3.476 0.000 -2.774) 4.448 2.313 ( 1.226 0.000 2.902) 3.150 2.527 ( -1.550 0.000 -2.014) 2.541 2.564 ( -3.288 0.000 0.131) 3.291 2.663 ( -0.670 0.000 1.034) 1.232 2.692 ( 0.720 0.000 -3.940) 4.005 2.899 ( 0.121 0.000 -4.213) 4.215 2.940 ( 1.537 0.000 -0.127) 1.542 3.008 ( 0.965 0.000 -0.310) 1.013 3.092 ( 0.365 0.000 -1.307) 1.357 3.146 ( 0.797 0.000 -2.882) 2.990 3.329 ( -0.046 0.000 0.044) 0.064 3.641 ( -0.227 0.000 -0.093) 0.245 3.936 ( 1.768 0.000 -1.162) 2.116 4.175 ( 3.138 0.000 1.972) 3.706 4.277 ( -1.077 0.000 0.771) 1.325 4.490 ( -0.651 0.000 -0.489) 0.814 4.743 ( 0.254 0.000 -0.323) 0.411 4.813 ( -0.081 0.000 1.048) 1.051 5.406 ( -0.040 0.000 -0.591) 0.593 5.478 ( -0.305 0.000 0.606) 0.679 5.595 ( 0.668 0.000 -0.733) 0.992 5.779 ( -0.722 0.000 -0.606) 0.943 5.960 ( -0.047 0.000 0.330) 0.333 6.073 ( -0.004 0.000 -0.294) 0.294 6.235 ( 0.029 0.000 -0.003) 0.029 6.364 ( 0.018 0.000 0.111) 0.112 6.539 ( -0.126 0.000 0.004) 0.126 6.728 ( -0.560 0.000 0.373) 0.673 6.785 ( -0.097 0.000 0.477) 0.487 6.856 ( 0.374 0.000 -0.002) 0.374 6.985 ( 1.279 0.000 0.378) 1.333 7.011 ( -0.086 0.000 0.427) 0.436 7.016 ( -1.398 0.000 -0.015) 1.398 7.223 ( 0.395 0.000 -0.142) 0.420 8.101 ( -0.637 0.000 -0.741) 0.977 8.260 ( -2.502 0.000 0.144) 2.507 ======================= Grid point 120 (54/104) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 8.902 0.000 2.488) 9.243 0.747 ( -5.453 0.000 16.298) 17.186 0.916 ( 1.718 0.000 -3.713) 4.091 1.322 ( -2.069 0.000 3.088) 3.717 1.466 ( 5.689 0.000 3.074) 6.467 1.699 ( 1.011 0.000 -0.632) 1.192 1.795 ( -0.129 0.000 -1.131) 1.138 1.955 ( -1.889 0.000 3.001) 3.546 1.979 ( -1.456 0.000 3.219) 3.533 2.062 ( 2.512 0.000 -0.319) 2.532 2.181 ( 1.920 0.000 -0.732) 2.055 2.246 ( -1.121 0.000 -5.805) 5.912 2.389 ( 3.962 0.000 3.025) 4.984 2.501 ( -2.841 0.000 2.888) 4.051 2.539 ( -4.794 0.000 0.399) 4.811 2.595 ( 4.895 0.000 -1.119) 5.021 2.676 ( -0.063 0.000 -2.490) 2.491 2.845 ( -3.986 0.000 -0.933) 4.094 3.015 ( 5.310 0.000 -1.585) 5.541 3.051 ( 3.721 0.000 0.346) 3.737 3.136 ( 1.883 0.000 1.092) 2.176 3.227 ( 8.172 0.000 -4.538) 9.348 3.294 ( -1.880 0.000 0.117) 1.884 3.614 ( -2.262 0.000 0.009) 2.262 3.897 ( -4.441 0.000 -2.038) 4.886 4.203 ( -1.611 0.000 -1.684) 2.330 4.219 ( -5.103 0.000 0.694) 5.150 4.475 ( -0.695 0.000 0.175) 0.716 4.749 ( 0.440 0.000 -0.410) 0.601 4.841 ( 2.090 0.000 0.723) 2.212 5.410 ( 0.382 0.000 -0.774) 0.863 5.472 ( -0.596 0.000 0.761) 0.966 5.540 ( -3.559 0.000 -1.028) 3.704 5.851 ( 5.768 0.000 -0.134) 5.770 5.972 ( 0.898 0.000 0.289) 0.943 6.075 ( 0.298 0.000 -0.232) 0.378 6.235 ( -0.003 0.000 -0.050) 0.050 6.368 ( 0.265 0.000 0.070) 0.274 6.528 ( -0.842 0.000 0.085) 0.846 6.699 ( -2.272 0.000 0.739) 2.390 6.788 ( 0.138 0.000 0.490) 0.509 6.862 ( -0.117 0.000 -0.140) 0.182 6.984 ( -0.427 0.000 -0.366) 0.562 7.008 ( -0.344 0.000 0.407) 0.532 7.020 ( 0.861 0.000 0.605) 1.052 7.235 ( 0.700 0.000 -0.456) 0.836 8.070 ( -1.344 0.000 0.307) 1.379 8.244 ( 0.034 0.000 1.749) 1.750 ======================= Grid point 121 (55/104) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 11.769 0.000 2.264) 11.985 0.737 ( 0.090 0.000 11.912) 11.912 0.952 ( 5.760 0.000 -6.394) 8.605 1.322 ( -0.215 0.000 4.298) 4.303 1.616 ( 6.870 0.000 0.605) 6.896 1.690 ( -2.584 0.000 -2.000) 3.267 1.773 ( 0.290 0.000 -3.657) 3.668 1.922 ( -2.624 0.000 6.365) 6.885 1.980 ( -1.225 0.000 3.544) 3.750 2.107 ( 1.252 0.000 -0.470) 1.338 2.151 ( -3.488 0.000 -6.440) 7.323 2.216 ( 1.005 0.000 0.752) 1.255 2.324 ( -8.059 0.000 2.400) 8.409 2.479 ( -1.398 0.000 3.559) 3.823 2.586 ( 7.144 0.000 -1.929) 7.400 2.674 ( 0.800 0.000 -2.224) 2.363 2.775 ( 3.349 0.000 0.051) 3.349 2.816 ( 8.244 0.000 4.693) 9.486 3.113 ( 1.926 0.000 0.794) 2.083 3.117 ( 5.077 0.000 -2.078) 5.486 3.148 ( -3.134 0.000 2.235) 3.849 3.274 ( 4.214 0.000 -0.407) 4.234 3.421 ( 9.773 0.000 -5.288) 11.112 3.561 ( -2.558 0.000 -0.193) 2.566 3.754 ( -7.721 0.000 -3.418) 8.443 4.070 ( -9.172 0.000 -1.133) 9.241 4.102 ( -7.209 0.000 0.324) 7.216 4.460 ( -0.877 0.000 0.226) 0.906 4.753 ( 0.058 0.000 -0.431) 0.435 4.891 ( 2.074 0.000 0.599) 2.159 5.398 ( -0.746 0.000 -1.153) 1.374 5.464 ( -0.547 0.000 0.917) 1.068 5.501 ( 0.254 0.000 -0.604) 0.656 5.960 ( 4.354 0.000 0.165) 4.357 5.992 ( 0.786 0.000 0.251) 0.825 6.082 ( 0.524 0.000 -0.170) 0.550 6.236 ( 0.217 0.000 -0.109) 0.242 6.376 ( 0.491 0.000 -0.001) 0.491 6.510 ( -0.680 0.000 -0.150) 0.696 6.649 ( -2.691 0.000 0.623) 2.763 6.794 ( 0.204 0.000 0.547) 0.584 6.846 ( -1.326 0.000 -0.156) 1.335 6.990 ( 1.132 0.000 -0.561) 1.263 7.002 ( -0.455 0.000 0.365) 0.583 7.031 ( -0.064 0.000 0.379) 0.385 7.244 ( 0.323 0.000 0.059) 0.328 8.066 ( 0.599 0.000 0.502) 0.782 8.254 ( 0.063 0.000 1.431) 1.432 ======================= Grid point 122 (56/104) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 6.149 0.000 6.477) 8.931 0.946 ( 12.594 0.000 3.473) 13.064 1.100 ( 9.722 0.000 -0.775) 9.753 1.321 ( -2.289 0.000 2.726) 3.560 1.586 ( -4.682 0.000 -5.804) 7.457 1.753 ( 6.837 0.000 -1.119) 6.928 1.767 ( -0.855 0.000 1.039) 1.346 1.855 ( -5.532 0.000 1.828) 5.827 2.004 ( 1.896 0.000 6.287) 6.567 2.070 ( -5.135 0.000 2.305) 5.629 2.104 ( 0.950 0.000 -3.531) 3.656 2.227 ( -2.120 0.000 1.353) 2.515 2.243 ( 2.427 0.000 -0.285) 2.444 2.463 ( -1.590 0.000 2.376) 2.859 2.662 ( 1.770 0.000 -1.275) 2.181 2.682 ( 0.941 0.000 -2.271) 2.458 2.800 ( -2.168 0.000 -2.129) 3.038 3.006 ( 3.605 0.000 3.922) 5.327 3.113 ( 1.377 0.000 -3.160) 3.447 3.187 ( 2.399 0.000 -1.973) 3.106 3.202 ( 6.722 0.000 6.371) 9.262 3.370 ( 3.200 0.000 -1.006) 3.355 3.519 ( -1.097 0.000 -0.684) 1.293 3.527 ( -3.059 0.000 -2.430) 3.907 3.607 ( 1.201 0.000 -5.274) 5.409 3.875 ( -7.557 0.000 -0.091) 7.557 3.944 ( -7.704 0.000 1.312) 7.815 4.444 ( -0.563 0.000 -0.078) 0.568 4.747 ( -0.296 0.000 -0.389) 0.489 4.920 ( 0.623 0.000 0.171) 0.646 5.398 ( 1.262 0.000 -0.601) 1.397 5.459 ( -0.317 0.000 0.987) 1.036 5.513 ( 0.655 0.000 -0.634) 0.911 6.003 ( 0.194 0.000 0.208) 0.285 6.020 ( 1.435 0.000 0.392) 1.488 6.093 ( 0.477 0.000 -0.128) 0.494 6.242 ( 0.311 0.000 -0.118) 0.332 6.386 ( 0.460 0.000 -0.074) 0.466 6.508 ( 0.796 0.000 -0.325) 0.860 6.599 ( -2.370 0.000 0.304) 2.389 6.800 ( 0.055 0.000 0.625) 0.627 6.812 ( -1.583 0.000 -0.375) 1.627 6.995 ( -0.346 0.000 0.319) 0.470 7.012 ( 0.530 0.000 0.063) 0.533 7.027 ( 0.227 0.000 -0.524) 0.571 7.251 ( 0.177 0.000 0.506) 0.536 8.089 ( 1.240 0.000 0.448) 1.319 8.258 ( -0.177 0.000 0.927) 0.944 ======================= Grid point 123 (57/104) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 4.160 0.000 1.045) 4.289 1.162 ( 0.502 0.000 4.965) 4.990 1.262 ( 0.563 0.000 0.850) 1.020 1.264 ( 3.550 0.000 1.381) 3.809 1.479 ( -2.057 0.000 -5.892) 6.241 1.748 ( -1.638 0.000 2.206) 2.748 1.789 ( -0.928 0.000 2.216) 2.402 1.827 ( -2.944 0.000 1.386) 3.254 2.046 ( 6.531 0.000 0.134) 6.532 2.072 ( 1.707 0.000 3.228) 3.652 2.130 ( 2.127 0.000 -1.448) 2.573 2.189 ( -2.005 0.000 -1.319) 2.400 2.351 ( 6.900 0.000 3.985) 7.968 2.446 ( -0.524 0.000 1.341) 1.440 2.608 ( -8.293 0.000 -5.380) 9.885 2.688 ( 0.613 0.000 -2.061) 2.150 2.707 ( -1.298 0.000 -0.828) 1.540 3.017 ( -3.105 0.000 3.358) 4.574 3.161 ( 1.487 0.000 -1.994) 2.488 3.194 ( -0.739 0.000 -1.473) 1.648 3.223 ( -10.385 0.000 5.258) 11.640 3.383 ( -2.642 0.000 3.895) 4.706 3.434 ( 2.326 0.000 -4.434) 5.008 3.511 ( 0.594 0.000 -1.106) 1.255 3.699 ( 6.371 0.000 -2.797) 6.957 3.797 ( -2.968 0.000 0.268) 2.980 3.873 ( 3.844 0.000 -0.786) 3.923 4.440 ( 0.314 0.000 -0.307) 0.439 4.741 ( -0.133 0.000 -0.283) 0.313 4.930 ( 0.716 0.000 -0.415) 0.828 5.421 ( 0.363 0.000 -0.218) 0.424 5.460 ( -0.094 0.000 0.953) 0.957 5.518 ( 0.288 0.000 -0.773) 0.825 6.005 ( 0.044 0.000 0.150) 0.156 6.033 ( 0.008 0.000 0.340) 0.340 6.098 ( 0.018 0.000 -0.106) 0.108 6.245 ( 0.028 0.000 -0.107) 0.111 6.391 ( -0.029 0.000 -0.094) 0.098 6.538 ( 1.190 0.000 0.178) 1.203 6.556 ( -1.110 0.000 -0.363) 1.168 6.788 ( -0.433 0.000 -0.292) 0.522 6.802 ( -0.170 0.000 0.671) 0.692 6.992 ( -0.088 0.000 0.304) 0.317 7.002 ( -1.038 0.000 0.554) 1.177 7.044 ( 1.158 0.000 -1.092) 1.592 7.255 ( 0.001 0.000 0.578) 0.578 8.113 ( 0.768 0.000 0.101) 0.775 8.259 ( -0.109 0.000 0.745) 0.752 ======================= Grid point 124 (58/104) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -12.969 0.000 1.530) 13.059 1.037 ( -0.583 0.000 0.405) 0.710 1.190 ( -10.451 0.000 -3.736) 11.099 1.366 ( 3.636 0.000 4.944) 6.137 1.469 ( 2.750 0.000 -4.493) 5.268 1.724 ( -4.754 0.000 0.065) 4.755 1.726 ( -1.600 0.000 2.311) 2.811 1.837 ( 3.936 0.000 2.193) 4.505 2.106 ( 0.836 0.000 0.786) 1.147 2.121 ( -4.176 0.000 0.472) 4.203 2.142 ( -0.303 0.000 -2.441) 2.460 2.253 ( 9.860 0.000 -1.574) 9.985 2.420 ( -4.566 0.000 -5.810) 7.390 2.472 ( 2.658 0.000 1.145) 2.894 2.524 ( 5.524 0.000 6.749) 8.721 2.673 ( -2.217 0.000 0.488) 2.270 2.685 ( -0.046 0.000 -1.946) 1.946 2.912 ( -8.885 0.000 4.399) 9.914 3.053 ( -5.525 0.000 7.591) 9.389 3.121 ( -3.071 0.000 -1.802) 3.561 3.150 ( -2.984 0.000 -0.820) 3.094 3.338 ( -3.590 0.000 3.666) 5.131 3.486 ( 2.932 0.000 -1.781) 3.431 3.530 ( 1.785 0.000 -1.071) 2.082 3.679 ( -3.160 0.000 -6.327) 7.072 3.876 ( 7.528 0.000 0.277) 7.533 4.016 ( 8.404 0.000 -1.172) 8.486 4.455 ( 1.305 0.000 -0.552) 1.417 4.740 ( 0.165 0.000 -0.164) 0.232 4.941 ( 0.106 0.000 -0.467) 0.479 5.407 ( -0.817 0.000 -0.827) 1.162 5.464 ( 0.095 0.000 0.836) 0.841 5.519 ( 0.001 0.000 -0.809) 0.809 6.005 ( -0.227 0.000 0.134) 0.264 6.027 ( -1.064 0.000 0.158) 1.076 6.093 ( -0.369 0.000 -0.133) 0.392 6.242 ( -0.287 0.000 -0.109) 0.307 6.384 ( -0.498 0.000 -0.034) 0.499 6.510 ( -1.208 0.000 -0.362) 1.261 6.598 ( 2.737 0.000 0.293) 2.753 6.796 ( 1.211 0.000 0.192) 1.226 6.799 ( -0.370 0.000 0.646) 0.744 6.982 ( -1.180 0.000 0.449) 1.262 6.994 ( 0.172 0.000 0.340) 0.381 7.058 ( 0.610 0.000 -0.876) 1.068 7.255 ( -0.269 0.000 0.352) 0.442 8.118 ( -0.089 0.000 -0.678) 0.683 8.265 ( 0.432 0.000 0.925) 1.021 ======================= Grid point 125 (59/104) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -14.573 0.000 1.059) 14.611 0.800 ( -20.002 0.000 -3.207) 20.257 1.027 ( -3.870 0.000 2.119) 4.413 1.476 ( 4.408 0.000 5.365) 6.943 1.499 ( 1.617 0.000 -2.051) 2.612 1.649 ( -3.455 0.000 -0.368) 3.475 1.704 ( -1.173 0.000 0.937) 1.501 1.931 ( 3.126 0.000 2.876) 4.248 2.053 ( -2.270 0.000 1.922) 2.974 2.094 ( -2.060 0.000 0.038) 2.060 2.135 ( 1.775 0.000 -3.732) 4.133 2.283 ( -2.310 0.000 -1.853) 2.961 2.451 ( 2.998 0.000 -2.706) 4.039 2.505 ( -5.515 0.000 0.709) 5.561 2.552 ( 4.438 0.000 -0.199) 4.442 2.667 ( -0.740 0.000 -1.773) 1.921 2.685 ( 0.957 0.000 3.403) 3.535 2.847 ( 0.577 0.000 5.048) 5.081 2.967 ( -5.598 0.000 6.372) 8.482 3.067 ( -4.606 0.000 -0.418) 4.625 3.115 ( 2.120 0.000 0.310) 2.142 3.269 ( -3.911 0.000 -0.011) 3.911 3.446 ( -5.692 0.000 -4.983) 7.565 3.573 ( 2.697 0.000 -0.671) 2.779 3.679 ( 6.014 0.000 -0.911) 6.082 4.018 ( 5.964 0.000 -0.345) 5.974 4.166 ( 6.307 0.000 -0.620) 6.337 4.482 ( 1.398 0.000 -0.826) 1.624 4.743 ( 0.092 0.000 -0.127) 0.156 4.913 ( -2.842 0.000 -0.049) 2.843 5.406 ( 1.155 0.000 -1.398) 1.814 5.471 ( 0.212 0.000 0.684) 0.716 5.513 ( 0.257 0.000 -1.020) 1.052 5.974 ( -4.136 0.000 -0.335) 4.150 5.993 ( -1.018 0.000 0.215) 1.040 6.084 ( -0.333 0.000 -0.233) 0.407 6.235 ( -0.209 0.000 -0.076) 0.222 6.373 ( -0.496 0.000 0.052) 0.498 6.506 ( 0.868 0.000 -0.054) 0.869 6.656 ( 2.716 0.000 0.385) 2.744 6.793 ( -0.463 0.000 0.576) 0.739 6.830 ( 1.594 0.000 0.418) 1.648 6.961 ( -0.848 0.000 0.357) 0.920 7.001 ( 0.285 0.000 0.393) 0.485 7.060 ( -0.156 0.000 -0.523) 0.546 7.247 ( -0.661 0.000 0.010) 0.661 8.107 ( -0.337 0.000 -1.216) 1.262 8.286 ( 1.138 0.000 0.572) 1.273 ======================= Grid point 126 (60/104) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -11.861 0.000 3.277) 12.305 0.487 ( -5.908 0.000 11.069) 12.547 0.952 ( -5.837 0.000 8.716) 10.490 1.465 ( -2.506 0.000 -3.005) 3.913 1.557 ( -5.263 0.000 -0.341) 5.275 1.612 ( 3.973 0.000 5.823) 7.049 1.706 ( 1.775 0.000 0.023) 1.775 1.965 ( -0.724 0.000 1.925) 2.057 2.046 ( 0.241 0.000 -0.129) 0.274 2.061 ( -1.601 0.000 1.765) 2.383 2.170 ( 3.398 0.000 -3.244) 4.698 2.222 ( -2.914 0.000 -1.675) 3.361 2.340 ( -5.714 0.000 3.050) 6.477 2.565 ( 4.662 0.000 0.128) 4.663 2.613 ( -0.331 0.000 -1.184) 1.229 2.643 ( -4.567 0.000 -1.454) 4.793 2.661 ( 2.803 0.000 -2.735) 3.916 2.890 ( 2.677 0.000 -2.115) 3.412 2.968 ( 1.430 0.000 4.979) 5.180 2.972 ( -4.005 0.000 0.014) 4.005 3.147 ( -0.876 0.000 -1.256) 1.531 3.177 ( -3.675 0.000 -0.613) 3.726 3.324 ( -1.761 0.000 -3.265) 3.709 3.623 ( 2.025 0.000 -0.323) 2.051 3.834 ( 7.478 0.000 0.796) 7.521 4.109 ( 2.907 0.000 1.123) 3.117 4.258 ( 2.699 0.000 0.168) 2.705 4.497 ( 0.360 0.000 -0.699) 0.786 4.742 ( -0.039 0.000 -0.201) 0.205 4.844 ( -3.189 0.000 0.575) 3.241 5.414 ( -0.050 0.000 -0.930) 0.931 5.478 ( 0.087 0.000 0.578) 0.584 5.542 ( 3.181 0.000 -1.355) 3.457 5.867 ( -5.634 0.000 -0.592) 5.665 5.971 ( -1.068 0.000 0.311) 1.112 6.077 ( -0.239 0.000 -0.309) 0.391 6.234 ( 0.050 0.000 -0.017) 0.053 6.366 ( -0.243 0.000 0.106) 0.266 6.529 ( 1.000 0.000 0.024) 1.000 6.709 ( 2.064 0.000 0.308) 2.087 6.787 ( -0.350 0.000 0.510) 0.619 6.852 ( 0.340 0.000 0.127) 0.363 6.959 ( 0.628 0.000 0.405) 0.747 7.008 ( 0.173 0.000 0.424) 0.458 7.045 ( -1.077 0.000 -0.237) 1.103 7.229 ( -0.864 0.000 -0.044) 0.865 8.101 ( 0.368 0.000 -1.036) 1.099 8.301 ( -0.144 0.000 -1.181) 1.190 ======================= Grid point 127 (61/104) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 2.827 5.449 8.769) 10.704 0.736 ( 3.225 15.617 0.644) 15.959 0.863 ( -8.524 0.072 13.270) 15.772 1.327 ( -0.021 -3.975 3.910) 5.576 1.598 ( -3.200 11.235 0.403) 11.689 1.761 ( 2.618 -0.375 0.777) 2.756 1.792 ( 0.918 8.824 0.895) 8.917 1.965 ( 1.261 -0.501 1.639) 2.128 1.987 ( -0.332 -2.548 -0.583) 2.635 2.106 ( -1.719 1.269 1.551) 2.640 2.183 ( -1.104 2.059 -1.695) 2.886 2.284 ( 1.582 8.208 -3.440) 9.040 2.293 ( -1.132 -1.034 0.538) 1.625 2.507 ( -3.495 -0.789 -0.072) 3.583 2.560 ( -1.148 -3.095 -1.609) 3.672 2.671 ( 1.126 -1.128 -0.795) 1.781 2.703 ( -0.307 3.583 -0.332) 3.612 2.775 ( 2.924 -8.377 -0.528) 8.888 2.923 ( 1.134 -0.345 -3.339) 3.543 3.042 ( -2.610 -1.060 -0.099) 2.819 3.076 ( 5.680 -1.045 -1.622) 5.998 3.179 ( -1.785 -0.381 -1.383) 2.290 3.360 ( 0.155 8.654 0.280) 8.660 3.663 ( 0.518 0.926 -0.705) 1.274 3.923 ( 1.067 -1.109 -0.485) 1.613 4.171 ( 2.321 -0.136 2.011) 3.075 4.256 ( -0.754 -2.328 0.098) 2.449 4.393 ( -0.993 -7.888 -0.231) 7.953 4.772 ( -0.932 1.290 0.117) 1.596 4.788 ( 1.027 -1.541 0.616) 1.952 5.386 ( 0.052 -2.223 -0.736) 2.342 5.468 ( 0.135 -6.565 -0.179) 6.569 5.555 ( -0.097 2.032 0.058) 2.035 5.739 ( -0.405 -2.871 -0.421) 2.930 6.005 ( 0.153 3.388 -0.912) 3.512 6.118 ( 0.033 3.552 -0.372) 3.572 6.306 ( 0.046 6.204 -0.010) 6.205 6.393 ( -0.093 2.611 0.095) 2.615 6.552 ( -0.114 1.351 0.011) 1.355 6.733 ( -0.413 0.643 0.527) 0.929 6.785 ( -0.068 -0.060 0.382) 0.393 6.848 ( 0.298 -0.764 -0.000) 0.820 6.956 ( 1.472 -3.035 0.508) 3.412 6.977 ( -1.354 -2.459 -0.153) 2.812 7.018 ( -0.298 -0.466 0.398) 0.681 7.191 ( 0.186 -3.061 0.012) 3.066 8.092 ( -0.717 -0.505 -0.490) 1.005 8.235 ( -1.423 -1.987 1.039) 2.656 ======================= Grid point 128 (62/104) ======================= q-point: ( 0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 6.455 11.232 4.603) 13.749 0.754 ( -6.753 -1.804 11.566) 13.514 0.832 ( 5.599 6.089 0.348) 8.279 1.388 ( 3.235 -5.290 2.219) 6.585 1.518 ( -3.827 12.981 1.411) 13.606 1.804 ( 0.231 0.954 -0.061) 0.984 1.816 ( 1.909 7.730 -0.771) 8.000 1.989 ( 0.152 1.104 1.689) 2.023 2.019 ( 2.594 -1.128 -0.064) 2.829 2.053 ( -3.821 3.384 1.643) 5.362 2.157 ( -1.016 -0.527 -0.694) 1.338 2.286 ( 0.589 3.678 -3.781) 5.308 2.340 ( 4.323 -2.358 2.760) 5.645 2.452 ( -4.062 -2.720 3.141) 5.811 2.543 ( -0.107 1.041 0.604) 1.208 2.655 ( 1.780 -0.384 -3.211) 3.692 2.690 ( 0.578 2.531 -0.847) 2.731 2.815 ( 0.915 -5.560 -1.972) 5.970 2.947 ( -0.949 2.762 -1.170) 3.146 3.013 ( 3.058 -3.716 1.697) 5.103 3.174 ( 1.950 -3.880 -1.685) 4.658 3.234 ( 8.371 2.190 -2.262) 8.943 3.357 ( 0.274 8.631 -0.475) 8.648 3.635 ( -2.447 1.250 -0.914) 2.896 3.891 ( -3.697 -0.452 -0.999) 3.856 4.184 ( -2.075 -1.548 -2.150) 3.366 4.207 ( -4.423 -1.046 1.535) 4.797 4.376 ( -0.575 -8.297 0.424) 8.328 4.765 ( 0.357 0.226 0.033) 0.424 4.831 ( 2.571 -0.366 0.321) 2.617 5.361 ( -1.947 -4.412 -0.925) 4.911 5.468 ( 0.019 -5.062 -0.465) 5.083 5.539 ( -0.963 3.958 0.383) 4.092 5.771 ( 2.845 -5.215 0.033) 5.941 6.010 ( 0.748 3.151 -0.519) 3.280 6.141 ( 2.235 4.459 -0.323) 4.998 6.293 ( -1.158 5.168 -0.058) 5.296 6.401 ( 0.749 3.092 0.085) 3.182 6.542 ( -0.756 1.555 0.106) 1.732 6.704 ( -2.438 0.562 0.646) 2.584 6.787 ( 0.060 -0.090 0.417) 0.430 6.854 ( 0.047 -0.644 -0.096) 0.653 6.947 ( -0.843 -3.460 -0.154) 3.565 6.986 ( 0.847 -2.227 0.243) 2.395 7.016 ( -0.121 -0.516 0.524) 0.745 7.200 ( 0.596 -3.295 -0.118) 3.350 8.069 ( -0.946 0.099 0.269) 0.989 8.229 ( 0.034 -1.359 1.535) 2.051 ======================= Grid point 129 (63/104) ======================= q-point: ( 0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 1.272 -0.357 7.521) 7.636 0.817 ( 4.582 5.905 1.712) 7.668 0.997 ( 10.292 12.190 1.698) 16.044 1.450 ( 0.480 7.241 1.849) 7.489 1.504 ( 3.837 -4.780 -0.336) 6.138 1.761 ( -2.901 4.169 -3.588) 6.218 1.849 ( 0.481 2.187 -1.161) 2.523 1.966 ( -4.489 2.099 3.552) 6.097 1.987 ( -2.181 3.180 4.644) 6.036 2.070 ( 2.358 0.857 -1.715) 3.039 2.143 ( -0.137 -1.953 0.468) 2.013 2.279 ( -0.204 4.372 -1.846) 4.750 2.303 ( -6.483 -0.118 0.634) 6.515 2.470 ( -0.288 -0.873 3.479) 3.598 2.567 ( 5.500 -1.053 -1.830) 5.892 2.697 ( 3.151 -3.629 -1.089) 4.928 2.791 ( -1.622 2.291 -1.668) 3.265 2.835 ( 10.805 1.720 2.582) 11.242 2.941 ( 1.583 -4.674 -1.304) 5.104 3.095 ( 1.308 -2.499 5.622) 6.290 3.184 ( 1.596 -1.204 -2.736) 3.389 3.366 ( 2.037 5.763 0.062) 6.112 3.418 ( 8.477 -0.046 -5.000) 9.842 3.579 ( -1.927 2.138 -1.695) 3.340 3.777 ( -6.403 2.006 -1.564) 6.890 4.057 ( -8.406 -1.179 -2.461) 8.838 4.099 ( -7.085 -0.152 1.459) 7.235 4.364 ( -0.894 -8.005 0.302) 8.061 4.779 ( 0.880 1.225 -0.243) 1.527 4.884 ( 2.045 -0.529 0.521) 2.176 5.314 ( -1.562 -6.229 -1.096) 6.515 5.469 ( 0.383 -3.207 -0.582) 3.282 5.531 ( -0.143 4.378 0.711) 4.438 5.829 ( 2.388 -7.606 0.391) 7.982 6.030 ( 1.361 2.997 -0.228) 3.299 6.190 ( 1.689 6.622 -0.086) 6.835 6.271 ( -0.208 2.788 -0.204) 2.804 6.419 ( 0.782 3.858 0.010) 3.936 6.525 ( -0.806 1.774 -0.045) 1.949 6.649 ( -2.933 0.047 0.518) 2.979 6.790 ( 0.008 -0.396 0.427) 0.582 6.841 ( -1.184 -0.392 -0.097) 1.251 6.947 ( 0.681 -3.654 -0.197) 3.722 6.995 ( 0.180 -1.850 -0.085) 1.861 7.015 ( -0.321 -0.963 0.481) 1.123 7.211 ( 0.413 -3.163 0.266) 3.201 8.066 ( 0.432 0.140 0.444) 0.635 8.238 ( -0.010 -1.610 1.235) 2.029 ======================= Grid point 130 (64/104) ======================= q-point: ( 0.38 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 7.389 -1.263 5.194) 9.120 0.925 ( 5.942 -0.863 0.610) 6.036 1.225 ( 8.610 13.449 4.884) 16.699 1.448 ( -0.156 9.041 -0.337) 9.048 1.619 ( 4.935 -4.480 -0.709) 6.703 1.664 ( -2.924 3.842 -5.807) 7.551 1.801 ( -4.161 -3.388 0.867) 5.435 1.891 ( -4.168 4.965 4.193) 7.720 2.007 ( 1.830 -0.571 4.694) 5.070 2.108 ( 1.045 5.139 0.202) 5.248 2.129 ( -1.259 1.652 -0.989) 2.300 2.209 ( -0.760 -0.926 -1.258) 1.738 2.277 ( 0.217 3.043 0.535) 3.097 2.453 ( -1.514 -0.992 1.509) 2.357 2.627 ( 0.832 -2.728 -0.767) 2.954 2.754 ( -1.188 4.093 -2.959) 5.188 2.765 ( 0.483 -2.451 -1.010) 2.694 2.980 ( 1.824 -3.180 1.137) 3.838 3.014 ( 6.149 -2.895 -1.011) 6.871 3.192 ( 6.248 -0.412 7.777) 9.984 3.219 ( 1.407 -1.083 -2.156) 2.793 3.386 ( 0.451 0.323 -1.059) 1.196 3.500 ( -2.509 1.359 -2.035) 3.505 3.578 ( 4.652 2.110 -3.690) 6.302 3.653 ( -3.005 4.544 -2.557) 6.018 3.864 ( -7.922 -0.810 -0.764) 8.000 3.947 ( -7.454 0.402 1.322) 7.581 4.347 ( -0.666 -7.976 -0.103) 8.004 4.794 ( 0.596 2.996 -0.331) 3.072 4.910 ( 0.412 -0.976 0.172) 1.073 5.302 ( 0.693 -6.869 -0.613) 6.931 5.477 ( 0.633 -2.860 -0.623) 2.995 5.533 ( -0.145 3.870 0.842) 3.964 5.866 ( 0.997 -7.948 0.391) 8.020 6.061 ( 1.667 3.186 -0.105) 3.597 6.177 ( -2.117 5.260 -0.018) 5.670 6.307 ( 2.897 4.439 -0.063) 5.301 6.427 ( -0.136 3.948 -0.035) 3.951 6.517 ( 0.264 1.190 -0.260) 1.247 6.596 ( -2.439 -0.375 0.230) 2.479 6.789 ( -0.307 -0.913 0.137) 0.973 6.815 ( -1.135 0.096 0.064) 1.141 6.960 ( 0.311 -3.264 0.222) 3.287 6.999 ( 0.269 -2.811 -0.640) 2.895 7.009 ( -0.171 -0.420 0.332) 0.562 7.220 ( 0.220 -2.968 0.618) 3.040 8.085 ( 0.994 -0.349 0.415) 1.132 8.240 ( -0.224 -1.799 0.825) 1.992 ======================= Grid point 131 (65/104) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 3.683 1.235 0.918) 3.992 1.058 ( 2.934 -8.893 1.919) 9.559 1.312 ( -1.539 11.122 4.908) 12.254 1.475 ( 2.877 10.349 -0.641) 10.760 1.539 ( -3.218 3.961 -4.542) 6.832 1.702 ( -2.101 -2.558 0.837) 3.414 1.769 ( 0.845 -5.414 -0.053) 5.480 1.850 ( 0.335 5.945 3.731) 7.027 2.062 ( 0.600 -0.470 2.722) 2.827 2.102 ( 1.868 1.174 -0.741) 2.327 2.150 ( 2.400 3.965 -2.872) 5.452 2.209 ( -0.467 2.816 -0.111) 2.856 2.328 ( 4.120 -1.532 4.272) 6.130 2.444 ( 0.739 -0.772 0.782) 1.325 2.603 ( -4.382 -1.330 -3.608) 5.830 2.667 ( -3.072 -2.625 -1.988) 4.504 2.747 ( -0.374 5.963 -1.393) 6.135 2.990 ( -1.740 -2.505 2.629) 4.027 3.139 ( 1.936 -0.863 -1.173) 2.423 3.162 ( -4.892 -3.017 1.596) 5.965 3.255 ( -5.391 1.166 5.441) 7.748 3.398 ( 0.383 0.141 -3.766) 3.788 3.405 ( -0.890 1.661 1.307) 2.294 3.605 ( 0.098 6.394 -1.308) 6.527 3.689 ( 5.070 -1.090 -4.089) 6.604 3.782 ( -1.075 -1.362 0.298) 1.760 3.873 ( 2.437 0.220 -0.523) 2.502 4.342 ( 0.383 -7.959 -0.381) 7.977 4.798 ( -0.146 4.041 -0.218) 4.050 4.917 ( 0.653 -1.480 -0.456) 1.681 5.317 ( 0.432 -6.989 -0.338) 7.010 5.484 ( 0.183 -3.705 -0.791) 3.793 5.534 ( -0.028 4.344 0.980) 4.453 5.876 ( -0.057 -7.757 0.283) 7.763 6.085 ( -0.070 3.460 0.014) 3.460 6.144 ( 0.073 4.156 -0.169) 4.160 6.349 ( 0.378 7.193 0.106) 7.204 6.418 ( -0.200 2.521 -0.111) 2.532 6.537 ( 1.052 0.076 0.146) 1.065 6.553 ( -1.026 -0.121 -0.386) 1.103 6.779 ( -0.378 -0.821 -0.240) 0.935 6.804 ( -0.182 0.172 0.575) 0.628 6.958 ( -0.587 -3.073 0.500) 3.169 6.996 ( -0.193 -1.334 0.017) 1.348 7.019 ( 0.861 -2.015 -0.704) 2.302 7.225 ( -0.052 -2.939 0.679) 3.017 8.105 ( 0.699 -0.690 0.098) 0.987 8.239 ( -0.156 -1.908 0.694) 2.036 ======================= Grid point 132 (66/104) ======================= q-point: (-0.38 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -11.553 -5.176 -1.032) 12.702 1.044 ( -0.386 1.384 0.323) 1.472 1.290 ( -4.549 11.369 3.045) 12.619 1.487 ( -0.501 5.797 0.115) 5.820 1.538 ( 2.062 3.461 -1.909) 4.458 1.595 ( -5.248 -0.092 -0.212) 5.253 1.795 ( 2.436 -1.940 0.369) 3.136 1.912 ( 2.045 7.559 3.155) 8.442 2.081 ( -0.305 -2.723 1.065) 2.940 2.118 ( -0.054 -2.302 -2.763) 3.597 2.176 ( -1.117 5.124 -0.367) 5.257 2.227 ( 5.324 -0.765 -1.274) 5.527 2.435 ( 0.963 0.323 -3.065) 3.229 2.447 ( -1.191 -0.810 -0.012) 1.441 2.531 ( 3.462 -0.648 4.715) 5.886 2.634 ( -1.172 -3.640 0.035) 3.824 2.734 ( -0.210 4.957 -1.030) 5.067 2.906 ( -9.565 0.812 2.940) 10.040 2.997 ( -4.311 -4.379 2.743) 6.729 3.084 ( -7.621 -1.075 4.114) 8.727 3.234 ( 0.874 2.661 -0.712) 2.890 3.343 ( -3.909 1.125 2.355) 4.700 3.468 ( 3.886 1.051 -1.368) 4.252 3.600 ( -0.539 3.910 -2.156) 4.498 3.674 ( -1.044 0.148 -4.623) 4.742 3.873 ( 7.432 -0.130 -0.174) 7.435 3.999 ( 7.904 -1.573 -0.850) 8.103 4.360 ( 1.590 -7.648 -0.627) 7.836 4.788 ( -0.621 3.224 -0.125) 3.285 4.929 ( 0.247 -1.297 -0.447) 1.394 5.311 ( -0.377 -6.740 -0.808) 6.799 5.479 ( -0.047 -3.314 -0.753) 3.399 5.540 ( 0.002 3.989 0.674) 4.045 5.869 ( -0.787 -8.010 0.286) 8.054 6.060 ( -1.630 3.063 -0.079) 3.471 6.178 ( 2.302 5.262 -0.068) 5.744 6.314 ( -3.011 4.761 -0.281) 5.640 6.425 ( 0.392 4.095 0.007) 4.114 6.518 ( -0.671 1.081 -0.288) 1.305 6.593 ( 2.785 -0.489 0.261) 2.839 6.780 ( 0.392 -1.051 0.289) 1.158 6.808 ( 0.358 0.293 0.474) 0.663 6.943 ( -0.972 -3.199 0.424) 3.370 6.995 ( 0.025 -0.617 0.220) 0.656 7.031 ( 0.612 -2.474 -0.747) 2.655 7.223 ( -0.384 -3.052 0.497) 3.116 8.111 ( 0.051 -0.605 -0.599) 0.853 8.243 ( 0.242 -2.074 0.910) 2.277 ======================= Grid point 133 (67/104) ======================= q-point: (-0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -13.099 -0.534 0.511) 13.120 0.982 ( -7.555 7.454 1.831) 10.770 1.104 ( -10.276 13.134 -1.214) 16.721 1.472 ( -4.863 -6.112 2.112) 8.091 1.539 ( 3.933 1.520 4.097) 5.879 1.598 ( 2.129 8.300 -2.558) 8.942 1.832 ( 0.529 2.843 -0.319) 2.909 1.952 ( 0.008 4.149 2.369) 4.778 2.056 ( -2.755 -0.608 1.935) 3.422 2.094 ( 0.847 -0.654 -1.565) 1.896 2.192 ( 2.568 6.320 -1.422) 6.969 2.283 ( -1.571 0.143 -1.344) 2.072 2.403 ( 4.178 -3.039 -1.715) 5.444 2.488 ( -2.544 -1.689 -0.469) 3.089 2.574 ( 0.774 -0.475 -0.097) 0.913 2.626 ( 0.022 -2.779 0.742) 2.876 2.742 ( 0.275 2.407 0.544) 2.483 2.759 ( -3.590 -3.811 3.145) 6.107 2.957 ( -4.658 -1.676 1.901) 5.303 2.971 ( -2.235 -1.626 5.867) 6.485 3.215 ( -3.351 -1.591 -1.938) 4.185 3.302 ( 0.647 6.324 0.906) 6.421 3.451 ( -5.497 1.443 -4.735) 7.397 3.573 ( 1.845 0.458 -1.934) 2.712 3.727 ( 5.695 3.958 0.379) 6.945 4.012 ( 5.900 -0.540 -0.479) 5.944 4.144 ( 6.094 -2.215 -0.126) 6.485 4.392 ( 1.550 -7.220 -0.895) 7.438 4.775 ( -0.573 1.854 -0.078) 1.942 4.902 ( -2.909 -0.961 -0.027) 3.064 5.319 ( 1.838 -6.469 -1.212) 6.833 5.477 ( 0.132 -3.552 -0.884) 3.663 5.539 ( -0.212 4.394 0.478) 4.425 5.841 ( -2.114 -7.640 -0.004) 7.927 6.029 ( -1.207 3.011 -0.221) 3.251 6.197 ( -1.669 6.669 -0.292) 6.881 6.269 ( 0.124 2.763 -0.164) 2.770 6.421 ( -0.729 4.220 -0.061) 4.283 6.523 ( 1.006 1.837 0.006) 2.094 6.654 ( 2.917 -0.168 0.376) 2.946 6.787 ( -0.020 -0.643 0.486) 0.806 6.827 ( 1.187 -0.225 0.455) 1.291 6.926 ( -0.746 -3.207 0.325) 3.308 6.997 ( 0.073 -0.689 0.278) 0.746 7.035 ( -0.015 -2.319 -0.441) 2.361 7.213 ( -0.731 -3.169 0.209) 3.259 8.104 ( -0.187 -0.228 -1.107) 1.145 8.256 ( 0.487 -2.613 0.886) 2.802 ======================= Grid point 134 (68/104) ======================= q-point: (-0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -3.532 4.030 8.303) 9.882 0.773 ( -8.569 23.345 0.528) 24.873 0.967 ( -6.684 2.619 7.454) 10.348 1.374 ( -5.029 -6.780 1.842) 8.640 1.621 ( 0.981 7.549 -2.098) 7.896 1.662 ( 4.924 0.381 5.623) 7.483 1.811 ( -1.865 7.841 -0.695) 8.089 1.949 ( -0.406 -0.138 1.645) 1.699 2.015 ( -1.687 -2.496 -0.007) 3.012 2.115 ( 0.343 1.182 0.623) 1.379 2.224 ( -2.342 1.949 -1.364) 3.338 2.247 ( 3.199 8.154 -2.347) 9.068 2.362 ( -5.602 1.462 0.954) 5.867 2.531 ( 5.455 -2.041 0.073) 5.825 2.585 ( -0.697 -5.215 -1.395) 5.443 2.652 ( -0.699 -0.060 -2.793) 2.880 2.667 ( -0.087 1.268 0.151) 1.280 2.768 ( -0.340 -7.947 -0.478) 7.969 2.923 ( 0.116 -0.160 1.743) 1.754 2.989 ( 1.905 -0.208 3.103) 3.647 3.113 ( -4.511 -4.228 -1.740) 6.423 3.290 ( -6.358 2.742 -4.093) 8.043 3.341 ( 1.451 8.338 -0.198) 8.465 3.624 ( 3.055 -0.121 -0.705) 3.138 3.853 ( 5.377 1.549 0.810) 5.654 4.106 ( 3.354 -0.403 0.999) 3.523 4.236 ( 2.706 -2.335 0.226) 3.581 4.406 ( 0.123 -7.264 -0.673) 7.296 4.768 ( 0.074 1.162 -0.071) 1.167 4.828 ( -3.749 -1.025 0.513) 3.920 5.363 ( 2.419 -4.789 -0.995) 5.456 5.471 ( -0.288 -4.886 -0.667) 4.939 5.544 ( 0.593 3.915 0.234) 3.967 5.785 ( -3.009 -5.353 -0.403) 6.154 6.011 ( -0.418 3.230 -0.602) 3.312 6.144 ( -2.217 4.371 -0.387) 4.916 6.292 ( 1.212 5.187 -0.026) 5.327 6.403 ( -0.799 3.407 0.013) 3.500 6.544 ( 0.837 1.556 0.023) 1.767 6.710 ( 2.187 0.267 0.447) 2.248 6.786 ( -0.188 -0.175 0.389) 0.466 6.845 ( 0.220 -0.556 0.203) 0.632 6.927 ( 0.807 -3.150 0.412) 3.277 6.997 ( -0.384 -1.464 0.142) 1.520 7.027 ( -0.572 -1.540 0.005) 1.643 7.197 ( -0.770 -3.069 0.098) 3.165 8.098 ( 0.131 -0.164 -0.985) 1.007 8.260 ( -0.690 -3.225 0.366) 3.319 ======================= Grid point 135 (69/104) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.860 11.903 3.430) 12.417 0.898 ( -6.635 3.283 11.598) 13.759 1.036 ( -3.427 7.368 -1.047) 8.194 1.302 ( 0.149 3.384 3.553) 4.909 1.713 ( 1.342 -3.376 3.243) 4.870 1.769 ( 0.899 2.623 3.294) 4.305 1.891 ( 1.477 -1.020 0.465) 1.854 1.910 ( -0.731 -3.760 -1.096) 3.984 2.018 ( -0.956 6.811 1.973) 7.155 2.124 ( 0.999 2.876 -1.666) 3.470 2.217 ( -0.712 1.630 -3.096) 3.571 2.248 ( -1.552 -1.518 -0.117) 2.174 2.437 ( -1.593 -1.648 0.180) 2.299 2.481 ( -2.656 -1.324 -0.964) 3.120 2.591 ( -0.122 -6.721 -0.248) 6.727 2.625 ( -0.018 -0.806 -2.169) 2.314 2.639 ( 2.941 10.770 1.621) 11.281 2.831 ( 4.037 5.227 -0.000) 6.605 2.911 ( -3.553 0.683 -2.194) 4.231 2.942 ( 1.933 -6.048 1.230) 6.468 3.024 ( 4.775 -1.219 -3.253) 5.905 3.304 ( -1.775 8.737 -0.936) 8.964 3.550 ( 0.345 8.257 -0.319) 8.270 3.673 ( 1.187 1.585 -1.388) 2.418 3.894 ( -0.218 -2.191 0.020) 2.201 4.132 ( 2.389 -7.584 -0.464) 7.965 4.188 ( -0.271 -0.932 0.288) 1.012 4.273 ( -1.767 -3.445 0.786) 3.951 4.731 ( -0.625 -2.412 0.721) 2.594 4.804 ( 0.342 0.128 -0.193) 0.413 5.290 ( 0.534 -8.662 -0.348) 8.685 5.317 ( -0.236 -4.650 -0.911) 4.745 5.632 ( -0.167 3.904 0.254) 3.916 5.701 ( -0.264 -0.791 -0.122) 0.843 6.069 ( 0.216 3.103 -1.372) 3.399 6.176 ( 0.088 1.670 -0.611) 1.780 6.439 ( 0.257 6.614 0.080) 6.619 6.457 ( -0.482 3.808 0.029) 3.838 6.590 ( -0.060 2.352 0.101) 2.355 6.755 ( -0.237 1.502 0.460) 1.588 6.777 ( 0.116 -0.875 0.128) 0.892 6.832 ( 0.187 -1.021 0.002) 1.038 6.874 ( 0.610 -4.606 0.397) 4.663 6.919 ( -0.693 -3.460 -0.193) 3.534 7.004 ( -0.135 -0.727 0.599) 0.952 7.115 ( -0.061 -4.204 0.328) 4.217 8.093 ( -0.544 0.707 -0.243) 0.925 8.194 ( -0.473 -2.058 1.162) 2.410 ======================= Grid point 136 (70/104) ======================= q-point: ( 0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 1.200 7.158 4.698) 8.646 0.863 ( -0.301 6.760 9.728) 11.850 1.072 ( 6.072 7.612 2.895) 10.159 1.325 ( 1.271 1.049 1.844) 2.473 1.691 ( -3.715 2.681 -0.159) 4.584 1.811 ( 0.596 -0.842 1.391) 1.732 1.862 ( -1.762 -2.194 -1.097) 3.021 1.959 ( 3.357 -6.088 1.526) 7.117 2.018 ( 0.089 4.308 1.057) 4.437 2.146 ( 0.501 6.816 -0.823) 6.884 2.173 ( -2.401 1.693 -0.407) 2.966 2.268 ( 3.294 -1.791 1.747) 4.136 2.402 ( -1.540 0.662 0.771) 1.845 2.442 ( -1.455 2.267 0.762) 2.800 2.548 ( -2.055 -6.288 -0.081) 6.616 2.582 ( -1.618 -5.729 -3.046) 6.688 2.730 ( 4.535 12.415 -1.538) 13.307 2.830 ( -1.418 1.659 -1.066) 2.429 2.939 ( 4.807 -2.332 0.574) 5.374 2.994 ( 1.827 1.609 -0.767) 2.552 3.121 ( 5.509 -1.567 -3.829) 6.889 3.314 ( 3.029 5.817 -0.064) 6.558 3.518 ( -3.101 5.787 -0.893) 6.626 3.671 ( 0.050 4.189 -1.947) 4.620 3.874 ( -2.123 -1.831 0.516) 2.851 4.133 ( -1.517 -5.351 -3.624) 6.638 4.184 ( -1.467 -0.951 1.228) 2.136 4.223 ( -2.989 -4.935 2.019) 6.112 4.737 ( 0.872 -2.225 0.561) 2.455 4.828 ( 1.794 -1.016 -0.089) 2.064 5.247 ( -2.634 -6.078 -0.901) 6.685 5.344 ( 1.567 -6.582 -0.546) 6.788 5.624 ( -0.686 3.820 0.356) 3.898 5.705 ( 0.639 -1.391 0.194) 1.543 6.075 ( 1.008 3.369 -1.008) 3.658 6.204 ( 2.822 1.438 -0.541) 3.213 6.405 ( -2.432 5.788 0.055) 6.278 6.479 ( 1.336 4.499 0.161) 4.696 6.586 ( -0.299 2.634 0.140) 2.655 6.721 ( -2.820 1.150 0.336) 3.064 6.782 ( 0.185 -0.504 0.147) 0.557 6.839 ( 0.055 -1.190 -0.056) 1.193 6.860 ( -0.965 -4.587 0.069) 4.688 6.926 ( 0.677 -3.748 0.017) 3.809 7.003 ( -0.192 -0.598 0.614) 0.878 7.121 ( 0.438 -4.294 0.391) 4.334 8.080 ( -0.586 1.057 0.203) 1.226 8.195 ( -0.113 -2.069 1.091) 2.341 ======================= Grid point 137 (71/104) ======================= q-point: ( 0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 1.680 6.475 4.253) 7.927 0.927 ( 1.720 7.046 4.754) 8.672 1.258 ( 8.509 3.845 3.894) 10.117 1.403 ( 6.558 2.939 0.052) 7.186 1.614 ( -2.179 5.296 -0.363) 5.738 1.784 ( -2.888 -4.182 0.543) 5.111 1.832 ( -1.468 0.972 -0.874) 1.966 1.989 ( -2.444 1.207 2.259) 3.540 2.048 ( 3.238 -3.115 -0.637) 4.538 2.092 ( -4.640 3.097 3.400) 6.533 2.175 ( 2.021 5.869 -0.191) 6.210 2.320 ( -1.162 0.393 -0.826) 1.479 2.368 ( -3.860 2.455 2.001) 4.993 2.454 ( 0.858 -1.887 0.028) 2.073 2.526 ( 6.367 -3.753 -1.595) 7.561 2.574 ( 0.698 -4.803 -2.880) 5.644 2.779 ( 1.568 2.223 -1.646) 3.179 2.891 ( 5.708 2.801 0.972) 6.432 2.979 ( -0.240 3.094 -0.934) 3.241 3.053 ( 3.896 -1.228 1.233) 4.267 3.197 ( 3.039 2.320 -0.732) 3.893 3.392 ( 2.127 -1.796 -1.405) 3.118 3.451 ( 0.311 3.958 -2.441) 4.661 3.670 ( 0.381 6.519 -2.237) 6.902 3.809 ( -4.173 0.645 0.902) 4.318 4.036 ( -6.176 -0.618 -4.046) 7.409 4.098 ( -6.579 -0.004 1.914) 6.851 4.199 ( -0.890 -7.895 0.645) 7.971 4.769 ( 2.009 -1.914 0.223) 2.783 4.865 ( 1.500 -2.151 0.177) 2.628 5.195 ( -1.705 -4.787 -1.104) 5.200 5.366 ( 0.883 -6.844 -0.604) 6.927 5.613 ( -0.478 3.636 0.592) 3.715 5.727 ( 1.188 -2.657 0.475) 2.949 6.101 ( 1.777 3.957 -0.583) 4.377 6.275 ( 4.028 0.653 -0.436) 4.104 6.348 ( -3.002 6.104 0.104) 6.803 6.504 ( 0.983 4.331 0.125) 4.443 6.580 ( -0.398 3.121 0.096) 3.148 6.654 ( -3.599 0.585 0.156) 3.649 6.782 ( -0.391 -0.237 0.185) 0.493 6.822 ( -0.982 -2.518 -0.026) 2.703 6.865 ( 0.837 -3.453 -0.091) 3.554 6.930 ( -0.180 -4.254 -0.180) 4.262 7.002 ( -0.168 -0.352 0.587) 0.705 7.134 ( 0.521 -4.226 0.629) 4.305 8.075 ( -0.001 0.870 0.369) 0.945 8.196 ( -0.237 -2.470 0.867) 2.629 ======================= Grid point 138 (72/104) ======================= q-point: ( 0.38 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 3.750 2.639 1.942) 4.980 0.992 ( 3.115 5.749 2.973) 7.183 1.384 ( 3.011 -3.441 0.671) 4.621 1.561 ( 4.760 -0.916 0.651) 4.891 1.611 ( 0.324 6.227 0.741) 6.280 1.707 ( -2.760 2.987 -0.287) 4.077 1.800 ( -0.397 4.495 -1.336) 4.706 1.946 ( -1.698 -0.777 1.709) 2.531 2.026 ( -2.747 4.097 2.821) 5.683 2.103 ( 1.842 -2.872 -0.202) 3.418 2.220 ( 0.400 1.070 0.376) 1.202 2.258 ( -0.727 5.396 -1.911) 5.770 2.323 ( -0.921 2.354 1.591) 2.986 2.448 ( 0.003 -1.645 -0.384) 1.689 2.558 ( -0.900 -0.363 -2.293) 2.490 2.686 ( 3.421 -3.960 -1.231) 5.376 2.839 ( 4.814 2.779 0.797) 5.615 2.931 ( 1.060 -1.163 0.292) 1.601 3.023 ( 2.906 2.071 -0.440) 3.595 3.119 ( 1.676 -4.458 0.618) 4.802 3.260 ( 2.423 3.809 4.075) 6.081 3.378 ( 0.411 -0.093 -1.791) 1.840 3.515 ( 2.648 0.011 -2.463) 3.617 3.635 ( -1.960 2.502 -2.476) 4.029 3.749 ( -1.412 5.062 -0.049) 5.255 3.868 ( -7.247 1.986 -3.461) 8.273 3.960 ( -6.778 0.772 1.163) 6.921 4.185 ( -0.538 -7.856 -0.141) 7.876 4.815 ( 2.249 -1.272 -0.139) 2.588 4.879 ( -0.206 -2.629 -0.166) 2.643 5.177 ( 0.267 -4.575 -0.612) 4.623 5.375 ( 0.284 -6.910 -0.789) 6.961 5.611 ( -0.052 3.675 0.844) 3.771 5.752 ( 0.901 -3.450 0.426) 3.591 6.140 ( 2.186 4.529 -0.357) 5.042 6.278 ( -3.190 4.210 -0.016) 5.282 6.366 ( 4.252 1.918 -0.117) 4.666 6.512 ( -0.753 3.594 0.125) 3.674 6.571 ( -0.513 4.066 -0.115) 4.099 6.589 ( -2.257 0.101 -0.048) 2.260 6.771 ( -0.573 -0.741 -0.018) 0.937 6.807 ( -0.565 -1.310 0.155) 1.435 6.882 ( 0.653 -3.934 0.066) 3.989 6.922 ( -0.200 -4.656 -0.514) 4.688 7.002 ( -0.157 -0.116 0.533) 0.567 7.146 ( 0.273 -4.138 0.805) 4.224 8.082 ( 0.423 0.239 0.363) 0.606 8.193 ( -0.340 -2.738 0.622) 2.828 ======================= Grid point 139 (73/104) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 1.991 -1.667 2.387) 3.527 1.066 ( 2.838 4.547 0.393) 5.375 1.437 ( 2.573 -2.279 0.498) 3.473 1.490 ( -5.748 -8.800 -0.377) 10.518 1.587 ( -2.063 3.455 0.056) 4.025 1.760 ( 2.992 7.617 -1.560) 8.331 1.786 ( -1.073 8.168 -0.613) 8.261 1.956 ( 1.356 -0.213 2.535) 2.882 2.014 ( 0.483 1.008 1.867) 2.176 2.111 ( -1.140 -1.417 0.047) 1.819 2.181 ( -0.975 -2.061 -2.462) 3.355 2.318 ( 4.019 5.431 0.517) 6.776 2.342 ( 1.831 3.494 1.301) 4.154 2.441 ( -0.543 0.088 0.117) 0.562 2.534 ( -0.617 -2.218 0.040) 2.302 2.661 ( -2.667 1.992 -3.838) 5.081 2.865 ( -1.348 1.511 2.407) 3.145 2.970 ( -0.529 4.058 -1.126) 4.245 3.075 ( -2.011 -5.613 1.926) 6.265 3.140 ( 1.770 0.286 0.338) 1.824 3.260 ( -5.651 0.512 7.153) 9.130 3.415 ( 3.981 1.790 -1.409) 4.587 3.470 ( -3.298 3.077 -2.145) 4.994 3.646 ( 2.108 -3.194 -3.400) 5.119 3.717 ( -1.244 4.050 -0.210) 4.242 3.790 ( 1.985 4.114 -2.945) 5.435 3.883 ( 0.224 0.517 -0.027) 0.564 4.183 ( 0.693 -7.540 -0.609) 7.596 4.850 ( 0.493 0.303 -0.322) 0.662 4.867 ( 0.085 -3.565 -0.627) 3.620 5.187 ( 0.537 -5.066 -0.383) 5.108 5.371 ( -0.253 -7.162 -0.703) 7.201 5.616 ( 0.069 3.821 0.848) 3.915 5.763 ( 0.041 -3.501 0.277) 3.512 6.171 ( -0.143 5.039 -0.204) 5.046 6.233 ( 0.219 4.268 -0.119) 4.275 6.448 ( 1.949 1.880 0.350) 2.730 6.465 ( -1.660 1.204 -0.327) 2.077 6.563 ( 0.184 2.926 -0.088) 2.933 6.569 ( -0.314 2.810 -0.223) 2.836 6.762 ( -0.269 -0.722 -0.074) 0.774 6.800 ( -0.178 -0.911 0.353) 0.993 6.884 ( -0.495 -3.864 0.356) 3.912 6.926 ( 0.837 -4.877 -0.902) 5.030 7.001 ( -0.151 -0.071 0.503) 0.530 7.152 ( -0.147 -4.148 0.836) 4.233 8.093 ( 0.493 -0.248 0.129) 0.566 8.190 ( -0.188 -2.812 0.566) 2.875 ======================= Grid point 140 (74/104) ======================= q-point: (-0.38 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -6.601 1.102 -0.401) 6.705 1.096 ( -0.196 3.817 0.190) 3.827 1.395 ( -2.737 -7.379 0.201) 7.872 1.509 ( -1.126 9.368 3.973) 10.238 1.581 ( 2.882 -7.421 0.910) 8.012 1.727 ( -1.811 8.063 -1.102) 8.337 1.793 ( 0.615 6.468 -1.376) 6.641 1.981 ( -0.063 -4.735 0.098) 4.737 2.047 ( 0.373 1.205 2.542) 2.838 2.079 ( -0.144 0.963 -0.378) 1.045 2.189 ( 2.513 -3.069 -0.548) 4.004 2.351 ( 0.231 9.825 -1.496) 9.941 2.403 ( 1.490 -0.064 -0.971) 1.779 2.449 ( 1.313 -4.027 -0.787) 4.308 2.522 ( -1.690 -3.018 3.701) 5.066 2.580 ( -2.133 5.065 -3.969) 6.779 2.849 ( -1.008 2.820 1.165) 3.213 2.926 ( -3.244 -0.145 1.340) 3.513 2.948 ( -8.944 2.356 3.118) 9.760 3.080 ( -6.719 0.218 2.395) 7.136 3.202 ( -2.078 -3.100 1.596) 4.059 3.396 ( -2.257 2.778 -1.356) 3.828 3.527 ( 4.895 3.501 -0.810) 6.072 3.629 ( -0.990 0.455 -3.583) 3.745 3.728 ( 1.980 4.398 -0.153) 4.825 3.881 ( 6.617 1.324 -1.938) 7.021 3.960 ( 5.788 -2.332 0.467) 6.258 4.211 ( 2.340 -6.894 -1.019) 7.352 4.825 ( -1.783 -0.025 -0.377) 1.822 4.885 ( 0.797 -3.304 -0.450) 3.428 5.186 ( -0.207 -4.890 -0.816) 4.962 5.365 ( 0.072 -7.503 -0.481) 7.519 5.620 ( -0.039 3.761 0.579) 3.805 5.757 ( -0.710 -3.262 0.244) 3.347 6.138 ( -1.941 4.589 -0.297) 4.991 6.281 ( 3.222 4.354 -0.113) 5.417 6.374 ( -4.309 1.766 -0.392) 4.673 6.516 ( 1.264 3.623 0.010) 3.837 6.567 ( 0.297 3.827 0.025) 3.839 6.584 ( 2.299 0.151 0.040) 2.304 6.762 ( 0.321 -0.552 0.243) 0.683 6.802 ( 0.094 -1.338 0.364) 1.389 6.872 ( -0.735 -3.389 0.221) 3.475 6.940 ( 0.832 -4.742 -0.862) 4.891 7.001 ( -0.124 -0.244 0.534) 0.600 7.148 ( -0.575 -4.228 0.749) 4.332 8.101 ( 0.305 -0.223 -0.355) 0.518 8.192 ( 0.095 -2.813 0.776) 2.920 ======================= Grid point 141 (75/104) ======================= q-point: (-0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -5.383 9.215 1.052) 10.723 1.061 ( -3.728 3.530 2.969) 5.931 1.336 ( -4.243 -6.521 2.086) 8.055 1.409 ( -8.180 11.201 -0.137) 13.871 1.619 ( 0.480 5.666 1.792) 5.962 1.748 ( 1.375 2.246 0.523) 2.685 1.808 ( 2.092 0.544 -1.130) 2.439 1.971 ( -1.540 -3.693 2.479) 4.706 2.038 ( 0.013 -1.909 0.310) 1.934 2.118 ( 1.642 3.149 -0.190) 3.557 2.258 ( 2.997 -3.021 1.040) 4.380 2.337 ( -0.811 6.026 -2.437) 6.551 2.373 ( -0.675 1.054 0.982) 1.591 2.460 ( 0.493 -4.736 -1.545) 5.006 2.509 ( -1.466 -4.338 0.738) 4.638 2.571 ( 2.192 4.082 -3.771) 5.974 2.768 ( -5.484 3.470 -0.276) 6.495 2.817 ( -3.969 2.877 2.584) 5.542 2.926 ( 0.678 -1.240 1.674) 2.190 2.969 ( -5.044 0.130 4.767) 6.941 3.140 ( -4.320 -3.263 -0.883) 5.485 3.395 ( 2.506 0.805 -1.202) 2.893 3.511 ( -3.151 5.666 -4.034) 7.635 3.631 ( 1.097 5.578 -1.102) 5.791 3.803 ( 4.399 3.125 0.932) 5.476 3.993 ( 4.848 -1.668 -1.427) 5.322 4.086 ( 5.365 -3.089 1.516) 6.373 4.257 ( 2.316 -5.895 -1.336) 6.473 4.785 ( -1.779 -0.786 -0.251) 1.961 4.874 ( -1.928 -2.284 -0.078) 2.990 5.192 ( 1.698 -5.254 -0.977) 5.608 5.365 ( -0.068 -7.367 -0.584) 7.391 5.622 ( 0.098 3.735 0.324) 3.750 5.739 ( -1.126 -2.707 0.096) 2.934 6.102 ( -1.333 4.125 -0.635) 4.381 6.278 ( -3.919 0.647 -0.557) 4.011 6.352 ( 2.906 6.295 -0.017) 6.934 6.511 ( -1.017 4.381 -0.105) 4.498 6.578 ( 0.551 3.199 0.119) 3.248 6.652 ( 3.679 0.120 0.240) 3.689 6.774 ( 0.469 -0.363 0.389) 0.710 6.809 ( 0.627 -2.422 0.431) 2.539 6.858 ( -0.671 -2.583 0.101) 2.671 6.948 ( 0.230 -4.398 -0.673) 4.456 7.001 ( -0.081 -0.544 0.585) 0.803 7.136 ( -0.846 -4.282 0.580) 4.403 8.103 ( 0.141 0.206 -0.729) 0.771 8.199 ( 0.066 -2.876 0.996) 3.044 ======================= Grid point 142 (76/104) ======================= q-point: (-0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -2.350 14.048 3.223) 14.604 0.984 ( -5.977 3.361 7.444) 10.120 1.188 ( -9.245 5.327 -1.598) 10.789 1.299 ( -2.222 5.770 2.859) 6.812 1.654 ( 1.822 -0.377 3.274) 3.766 1.753 ( -0.506 3.514 2.339) 4.252 1.851 ( 2.037 -0.765 -0.549) 2.244 1.944 ( -1.914 -3.522 0.985) 4.128 2.033 ( -1.077 3.648 1.507) 4.092 2.127 ( 0.024 2.326 -1.374) 2.701 2.246 ( -1.148 1.582 -2.382) 3.081 2.312 ( -4.173 -4.140 0.645) 5.913 2.438 ( 4.096 -2.722 -0.135) 4.920 2.474 ( 3.167 -1.521 -1.827) 3.960 2.518 ( 2.405 -2.372 1.093) 3.551 2.601 ( 2.039 5.411 -1.681) 6.022 2.675 ( -3.704 1.958 -2.333) 4.795 2.787 ( 0.297 3.407 0.378) 3.441 2.905 ( -1.378 -1.219 5.207) 5.522 2.965 ( 1.119 -3.260 -0.877) 3.557 3.033 ( -4.989 -0.278 -1.427) 5.196 3.377 ( -3.749 4.654 -2.814) 6.606 3.506 ( 3.701 6.758 -0.836) 7.750 3.646 ( 1.289 4.290 -1.042) 4.599 3.877 ( 2.093 0.373 0.489) 2.182 4.071 ( 3.377 -4.268 -0.179) 5.445 4.171 ( 2.187 -3.038 0.913) 3.853 4.283 ( 0.642 -4.504 -0.610) 4.590 4.753 ( -1.426 -1.888 0.136) 2.370 4.823 ( -2.207 -0.390 0.057) 2.242 5.241 ( 3.088 -6.342 -0.712) 7.089 5.349 ( -1.230 -6.805 -0.724) 6.953 5.628 ( 0.319 3.853 0.238) 3.873 5.716 ( -1.007 -1.584 -0.131) 1.881 6.078 ( -0.526 3.518 -1.140) 3.735 6.206 ( -2.609 1.542 -0.582) 3.086 6.406 ( 2.216 5.966 0.006) 6.365 6.485 ( -1.428 4.497 -0.036) 4.719 6.587 ( 0.282 2.509 0.087) 2.527 6.722 ( 2.775 0.895 0.368) 2.939 6.778 ( -0.111 -0.688 0.212) 0.728 6.830 ( 0.600 -1.764 0.316) 1.890 6.851 ( 0.380 -3.243 0.274) 3.276 6.940 ( -0.772 -3.990 -0.419) 4.085 7.003 ( -0.049 -0.738 0.603) 0.954 7.122 ( -0.700 -4.216 0.416) 4.293 8.101 ( -0.013 0.528 -0.679) 0.860 8.201 ( -0.470 -2.684 1.084) 2.933 ======================= Grid point 143 (77/104) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -4.845 7.452 8.380) 12.216 0.989 ( -1.160 8.162 4.105) 9.209 1.062 ( -2.725 3.036 2.600) 4.838 1.310 ( -0.716 -9.247 0.598) 9.294 1.663 ( -1.188 3.405 2.290) 4.272 1.773 ( -1.657 -3.636 1.686) 4.338 1.832 ( -0.074 -1.659 -0.062) 1.662 1.855 ( 0.413 -2.171 -0.537) 2.275 2.143 ( 2.520 5.621 3.340) 7.007 2.204 ( -1.059 2.954 -0.805) 3.240 2.217 ( 1.143 -0.332 0.842) 1.458 2.306 ( 0.057 6.662 -2.604) 7.153 2.339 ( 1.631 -7.249 -0.246) 7.434 2.427 ( -0.892 -4.699 -1.960) 5.169 2.528 ( -2.062 0.304 -1.707) 2.694 2.564 ( -2.791 -2.757 -2.297) 4.546 2.781 ( 1.421 2.434 4.608) 5.401 2.834 ( 1.096 -3.804 2.727) 4.807 2.896 ( 3.405 2.910 -1.976) 4.895 2.943 ( 4.190 -1.436 -1.456) 4.663 3.168 ( 0.541 13.934 -2.787) 14.220 3.374 ( -0.102 -4.534 -1.347) 4.731 3.661 ( -0.255 7.053 -0.725) 7.095 3.802 ( 0.874 8.760 -1.027) 8.863 3.813 ( -1.282 -6.381 0.039) 6.509 3.965 ( 1.240 -8.012 -1.616) 8.267 4.191 ( 0.385 0.731 0.793) 1.145 4.221 ( -0.807 -2.218 0.339) 2.384 4.711 ( -0.607 0.923 0.368) 1.165 4.766 ( -0.281 -3.647 -0.045) 3.658 5.188 ( 0.303 -1.111 -0.401) 1.219 5.226 ( 0.223 -3.989 -0.712) 4.058 5.686 ( -0.172 1.550 0.180) 1.570 5.698 ( -0.209 0.039 0.071) 0.224 6.129 ( 0.124 2.906 -1.341) 3.203 6.175 ( 0.072 -1.529 -1.046) 1.854 6.533 ( -0.027 3.196 0.077) 3.197 6.540 ( -0.223 2.848 0.185) 2.862 6.643 ( 0.065 3.350 0.185) 3.355 6.729 ( 0.266 -4.650 -0.002) 4.657 6.785 ( -0.135 1.193 0.029) 1.201 6.792 ( 0.039 -0.687 -0.190) 0.714 6.831 ( 0.079 -0.555 0.369) 0.672 6.851 ( -0.217 -2.928 -0.002) 2.936 7.002 ( -0.159 0.828 0.757) 1.133 7.041 ( -0.168 -3.062 0.662) 3.137 8.118 ( -0.324 1.658 0.156) 1.696 8.154 ( -0.245 -1.993 0.698) 2.126 ======================= Grid point 144 (78/104) ======================= q-point: ( 0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -1.515 8.512 9.545) 12.879 1.030 ( 1.966 4.599 6.337) 8.072 1.088 ( 3.857 4.684 1.784) 6.325 1.327 ( 2.319 -8.088 0.163) 8.415 1.684 ( 1.473 3.043 2.797) 4.388 1.793 ( 2.361 -3.996 2.793) 5.417 1.817 ( -1.625 -0.535 -0.311) 1.739 1.849 ( -0.149 -3.551 -0.434) 3.581 2.139 ( -2.858 6.960 0.518) 7.541 2.187 ( -1.044 0.902 0.809) 1.599 2.246 ( 1.380 0.335 2.246) 2.657 2.292 ( -0.680 4.674 -2.652) 5.417 2.365 ( -0.430 -7.925 0.377) 7.946 2.395 ( 0.141 -3.040 -2.888) 4.195 2.464 ( -1.458 1.256 -1.294) 2.320 2.507 ( -2.174 -2.935 -0.718) 3.722 2.836 ( 2.295 1.495 1.648) 3.196 2.883 ( 2.895 -2.784 -0.037) 4.017 2.977 ( 4.454 6.928 -3.011) 8.770 3.064 ( 7.427 -2.111 -1.802) 7.929 3.144 ( -1.237 11.089 -2.940) 11.539 3.338 ( -2.347 -5.513 -0.850) 6.052 3.636 ( -1.684 8.109 -0.422) 8.292 3.784 ( -1.667 -3.668 0.227) 4.035 3.828 ( 1.773 6.244 -0.741) 6.533 3.990 ( 1.745 -7.895 -1.962) 8.321 4.173 ( -2.616 -0.212 0.090) 2.626 4.179 ( -3.339 -0.890 0.935) 3.580 4.714 ( 0.653 0.644 0.496) 1.043 4.770 ( 0.662 -4.205 0.157) 4.260 5.180 ( -0.716 -0.132 -0.668) 0.988 5.230 ( 0.419 -4.630 -0.683) 4.699 5.678 ( -0.631 1.714 0.267) 1.846 5.695 ( -0.112 -0.264 0.253) 0.382 6.141 ( 1.605 3.241 -1.018) 3.757 6.196 ( 2.204 -1.990 -0.817) 3.080 6.515 ( -1.382 4.891 0.154) 5.085 6.549 ( 0.546 1.721 0.241) 1.822 6.636 ( -0.652 2.567 0.134) 2.652 6.713 ( -2.044 -4.672 -0.158) 5.102 6.762 ( -0.467 1.754 -0.012) 1.815 6.813 ( 0.503 -0.075 -0.065) 0.513 6.817 ( -0.946 -1.404 0.157) 1.701 6.852 ( 0.008 -3.066 0.022) 3.067 7.005 ( 0.052 1.004 0.776) 1.270 7.046 ( 0.307 -3.130 0.728) 3.228 8.110 ( -0.502 1.908 0.345) 2.003 8.152 ( -0.357 -2.232 0.670) 2.357 ======================= Grid point 145 (79/104) ======================= q-point: ( 0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.948 10.436 6.470) 12.316 1.086 ( 0.270 5.356 5.518) 7.694 1.191 ( 4.594 -0.894 -0.072) 4.681 1.386 ( 2.072 -10.574 -0.153) 10.776 1.731 ( 0.231 6.773 1.844) 7.023 1.782 ( 2.029 4.961 1.079) 5.468 1.811 ( -0.420 -2.739 0.319) 2.790 1.924 ( 4.679 -6.591 1.855) 8.293 2.079 ( -3.184 5.469 -0.609) 6.358 2.176 ( -0.809 3.173 2.492) 4.115 2.200 ( -4.654 -2.079 -0.454) 5.117 2.305 ( 0.140 -5.689 1.600) 5.911 2.363 ( 0.311 2.323 0.660) 2.435 2.428 ( -1.783 1.804 -1.677) 3.041 2.445 ( 7.094 -3.316 -0.934) 7.886 2.506 ( 3.622 -3.821 -2.398) 5.786 2.884 ( 0.793 4.099 -1.050) 4.305 2.925 ( 1.379 -0.256 -0.810) 1.620 3.024 ( 2.035 4.716 -1.691) 5.408 3.089 ( -1.755 1.360 -3.639) 4.263 3.213 ( 6.319 1.605 -0.298) 6.526 3.312 ( 1.227 -5.832 -1.190) 6.077 3.599 ( -1.822 8.821 0.013) 9.007 3.730 ( -3.915 -3.475 0.356) 5.247 3.859 ( 1.431 7.195 -0.833) 7.383 4.002 ( -0.179 -5.231 -2.367) 5.745 4.086 ( -5.395 -0.607 1.005) 5.521 4.100 ( -4.578 -1.234 -0.371) 4.756 4.739 ( 1.497 -0.110 0.298) 1.530 4.788 ( 0.851 -4.620 0.065) 4.698 5.162 ( -0.451 1.460 -0.788) 1.719 5.236 ( 0.473 -5.643 -0.632) 5.698 5.669 ( -0.288 2.106 0.447) 2.172 5.698 ( 0.267 -1.020 0.414) 1.133 6.180 ( 2.399 3.927 -0.630) 4.644 6.248 ( 2.907 -2.777 -0.532) 4.055 6.478 ( -2.301 6.273 0.121) 6.682 6.555 ( -0.493 -0.420 0.258) 0.697 6.624 ( -0.441 1.767 0.069) 1.822 6.663 ( -2.006 -1.110 -0.197) 2.301 6.762 ( 0.157 -0.082 0.075) 0.193 6.791 ( -1.260 0.473 0.191) 1.360 6.822 ( 0.247 -1.839 -0.297) 1.880 6.846 ( -0.483 -3.512 -0.166) 3.549 7.011 ( 0.130 1.397 0.794) 1.612 7.058 ( 0.436 -3.310 0.825) 3.439 8.102 ( -0.393 1.859 0.407) 1.943 8.146 ( -0.457 -2.499 0.575) 2.605 ======================= Grid point 146 (80/104) ======================= q-point: ( 0.38 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.210 11.291 2.490) 11.564 1.118 ( 1.490 5.400 3.227) 6.465 1.254 ( 2.116 -6.192 -1.608) 6.738 1.370 ( -2.937 -12.704 -0.690) 13.058 1.737 ( 0.263 5.579 0.275) 5.592 1.819 ( 1.224 -2.304 0.688) 2.698 1.889 ( 5.121 8.637 1.186) 10.111 1.952 ( -3.219 1.708 -0.678) 3.707 2.040 ( 0.209 -1.013 -1.014) 1.449 2.111 ( -1.775 -3.437 -0.943) 3.982 2.170 ( -1.126 3.227 1.198) 3.621 2.306 ( 0.062 -6.767 0.582) 6.793 2.368 ( -0.728 1.870 1.450) 2.475 2.386 ( -0.805 1.831 1.011) 2.241 2.609 ( 6.382 1.401 -1.467) 6.697 2.643 ( 7.710 -0.809 -0.274) 7.757 2.868 ( 0.609 1.604 1.084) 2.030 2.909 ( -2.634 -1.611 -1.204) 3.314 3.062 ( 0.649 1.480 -0.918) 1.858 3.078 ( 3.522 -0.194 0.315) 3.542 3.310 ( 2.542 2.127 1.275) 3.552 3.365 ( 3.546 -2.533 -1.848) 4.733 3.560 ( -1.774 4.600 -0.467) 4.952 3.635 ( -4.846 -2.285 -0.161) 5.360 3.865 ( -1.511 6.344 -0.197) 6.525 3.929 ( -3.728 2.241 -3.766) 5.753 3.969 ( -5.742 0.657 0.347) 5.790 4.047 ( -0.309 -6.065 -0.964) 6.149 4.773 ( 1.604 -1.525 -0.092) 2.215 4.800 ( 0.440 -4.110 -0.456) 4.159 5.157 ( 0.192 2.263 -0.499) 2.326 5.241 ( 0.303 -5.926 -0.650) 5.969 5.671 ( 0.201 2.422 0.610) 2.505 5.709 ( 0.495 -1.606 0.450) 1.740 6.228 ( 2.478 4.184 -0.371) 4.877 6.294 ( 1.241 -2.119 -0.182) 2.463 6.436 ( -1.086 4.920 -0.108) 5.039 6.518 ( -2.889 -2.699 -0.030) 3.954 6.624 ( 0.369 2.735 -0.020) 2.760 6.643 ( -0.246 1.912 -0.068) 1.929 6.763 ( -0.289 -0.709 0.254) 0.806 6.771 ( -0.600 -0.363 0.166) 0.721 6.825 ( 0.254 -2.094 -0.392) 2.146 6.835 ( -0.386 -3.296 -0.356) 3.337 7.016 ( 0.005 1.741 0.785) 1.910 7.069 ( 0.204 -3.501 0.866) 3.612 8.099 ( -0.119 1.501 0.368) 1.550 8.140 ( -0.371 -2.554 0.455) 2.620 ======================= Grid point 147 (81/104) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.264 8.667 1.781) 8.852 1.166 ( 1.720 3.298 1.264) 3.928 1.258 ( -1.036 -10.047 -1.385) 10.195 1.324 ( 0.309 -7.121 -1.305) 7.246 1.710 ( -2.334 7.168 -0.828) 7.584 1.848 ( 0.156 -6.277 -0.476) 6.297 1.888 ( -1.164 4.947 -0.407) 5.098 1.962 ( 2.035 4.515 -0.241) 4.958 2.012 ( -1.825 -0.381 0.831) 2.042 2.114 ( 0.188 -4.318 -1.485) 4.570 2.160 ( -0.043 6.524 1.409) 6.675 2.313 ( 0.158 -7.967 0.353) 7.977 2.384 ( 1.890 0.496 0.650) 2.059 2.388 ( 0.357 0.586 1.196) 1.379 2.641 ( -1.791 7.385 -0.694) 7.631 2.717 ( 0.815 1.151 -1.951) 2.408 2.849 ( -1.180 0.938 0.306) 1.538 2.945 ( 1.974 -6.905 0.961) 7.246 3.080 ( -1.006 4.240 2.544) 5.046 3.132 ( -1.133 -1.400 2.719) 3.262 3.317 ( -2.502 5.085 2.569) 6.222 3.411 ( 1.618 -3.209 -0.629) 3.649 3.525 ( 0.061 3.041 -2.337) 3.836 3.583 ( 0.797 -2.894 -1.517) 3.363 3.797 ( -1.756 4.616 -0.858) 5.013 3.870 ( -1.152 -1.987 -0.761) 2.420 3.921 ( 1.125 7.191 -2.398) 7.663 4.052 ( 1.281 -6.152 -1.463) 6.452 4.794 ( 0.687 -2.340 -0.753) 2.553 4.809 ( 0.561 -3.267 -0.654) 3.379 5.159 ( -0.026 1.994 -0.277) 2.013 5.238 ( -0.385 -5.703 -0.448) 5.733 5.679 ( 0.150 2.522 0.558) 2.587 5.718 ( 0.147 -1.722 0.345) 1.762 6.265 ( 0.020 3.837 -0.266) 3.846 6.293 ( 0.240 1.278 -0.023) 1.300 6.452 ( 1.786 -0.386 0.019) 1.827 6.458 ( -1.815 -1.021 -0.461) 2.134 6.630 ( 0.032 3.062 -0.053) 3.062 6.640 ( -0.121 2.584 -0.009) 2.587 6.757 ( -0.060 0.193 0.242) 0.315 6.766 ( -0.200 -1.614 0.323) 1.658 6.826 ( -0.070 -1.976 -0.229) 1.991 6.834 ( 0.540 -3.539 -0.713) 3.650 7.018 ( -0.212 1.894 0.787) 2.062 7.073 ( -0.200 -3.603 0.871) 3.712 8.101 ( 0.197 1.121 0.238) 1.162 8.137 ( -0.069 -2.422 0.401) 2.456 ======================= Grid point 148 (82/104) ======================= q-point: (-0.38 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.543 10.849 0.934) 10.902 1.188 ( -0.506 5.021 0.529) 5.074 1.240 ( -0.508 -8.891 0.617) 8.927 1.350 ( 1.912 -11.658 0.232) 11.816 1.674 ( -0.794 7.762 1.644) 7.974 1.822 ( -0.993 -6.457 -0.002) 6.533 1.887 ( -0.782 6.353 0.944) 6.470 1.965 ( -1.231 6.407 -0.945) 6.593 2.007 ( 0.279 -3.532 1.995) 4.066 2.096 ( -0.001 -4.534 -2.686) 5.270 2.174 ( 0.931 5.339 0.950) 5.502 2.313 ( -0.076 -8.177 0.150) 8.179 2.393 ( -0.753 0.911 0.711) 1.379 2.426 ( 0.905 -2.168 1.480) 2.776 2.608 ( -0.948 8.550 -1.136) 8.677 2.687 ( -0.845 1.807 -3.523) 4.049 2.855 ( 0.913 2.252 0.308) 2.450 2.938 ( -3.507 -2.545 3.594) 5.629 2.981 ( -8.097 1.236 2.713) 8.629 3.022 ( -7.730 -4.043 -2.200) 8.997 3.262 ( -3.657 7.417 1.922) 8.490 3.386 ( -2.731 -4.100 -1.859) 5.266 3.593 ( 5.018 3.347 -1.392) 6.190 3.638 ( 4.671 -0.676 -1.047) 4.835 3.816 ( 2.199 4.350 0.802) 4.939 3.891 ( 2.337 -2.898 -0.040) 3.723 3.965 ( 4.507 5.481 -1.364) 7.226 4.089 ( 3.101 -6.075 -1.816) 7.058 4.796 ( -0.573 -1.606 -0.775) 1.873 4.811 ( 0.272 -3.239 -0.802) 3.348 5.153 ( -0.324 1.494 -0.331) 1.564 5.227 ( -0.336 -5.760 -0.188) 5.773 5.681 ( -0.139 2.397 0.321) 2.423 5.717 ( -0.355 -1.513 0.196) 1.566 6.229 ( -2.150 4.459 -0.442) 4.970 6.300 ( -1.011 -2.191 -0.388) 2.444 6.437 ( 1.075 4.540 -0.133) 4.667 6.515 ( 3.189 -2.782 0.086) 4.232 6.623 ( -0.512 2.584 -0.000) 2.634 6.638 ( 0.009 2.016 0.076) 2.017 6.764 ( -0.073 -0.809 0.249) 0.850 6.765 ( 0.667 0.655 0.264) 0.971 6.825 ( 0.099 -1.646 -0.271) 1.671 6.844 ( 0.671 -4.203 -0.696) 4.313 7.015 ( -0.410 1.793 0.813) 2.011 7.069 ( -0.592 -3.568 0.858) 3.717 8.108 ( 0.389 1.004 0.038) 1.078 8.141 ( 0.239 -2.267 0.463) 2.326 ======================= Grid point 149 (83/104) ======================= q-point: (-0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.124 16.101 1.466) 16.169 1.140 ( -4.399 4.550 2.497) 6.804 1.222 ( -2.827 -5.043 2.882) 6.460 1.370 ( -0.866 -13.817 1.079) 13.886 1.702 ( 1.880 5.131 4.071) 6.814 1.817 ( -0.121 -4.874 0.671) 4.921 1.829 ( -4.231 8.020 -0.979) 9.120 1.944 ( -2.557 -1.293 1.718) 3.341 2.013 ( 2.157 2.845 -0.868) 3.674 2.123 ( 2.453 -4.976 0.834) 5.610 2.205 ( 1.444 2.282 0.519) 2.750 2.315 ( 0.034 -7.511 0.027) 7.511 2.363 ( -2.023 2.001 0.072) 2.846 2.425 ( -1.095 -3.959 0.826) 4.189 2.558 ( -1.950 10.332 -5.833) 12.024 2.673 ( 0.813 1.019 -6.548) 6.677 2.818 ( -5.961 1.621 3.922) 7.317 2.841 ( -5.075 -0.688 4.408) 6.757 2.895 ( 0.391 -1.090 -0.006) 1.158 2.924 ( -2.173 -3.309 0.883) 4.056 3.197 ( -2.723 7.699 -0.074) 8.167 3.339 ( -0.395 -5.560 -1.960) 5.909 3.651 ( 1.734 6.802 -1.777) 7.241 3.731 ( 4.002 1.079 -0.518) 4.177 3.844 ( 0.173 3.278 0.294) 3.296 3.938 ( 1.790 -4.006 0.233) 4.394 4.072 ( 5.112 2.343 0.184) 5.627 4.154 ( 3.643 -4.985 -1.338) 6.317 4.767 ( -1.602 -0.137 -0.535) 1.694 4.805 ( -0.771 -3.820 -0.435) 3.922 5.151 ( 0.606 1.252 -0.428) 1.455 5.226 ( 0.232 -5.928 -0.338) 5.942 5.680 ( 0.007 2.127 0.135) 2.131 5.709 ( -0.425 -1.061 0.082) 1.146 6.185 ( -1.900 4.115 -0.818) 4.606 6.254 ( -2.603 -2.682 -0.758) 3.814 6.480 ( 2.370 6.145 0.057) 6.586 6.560 ( 0.572 -0.681 0.126) 0.898 6.621 ( 0.383 1.426 0.155) 1.485 6.652 ( 1.775 -1.059 0.168) 2.074 6.764 ( -0.008 0.716 0.020) 0.716 6.786 ( 1.120 0.952 0.346) 1.510 6.825 ( -0.088 -1.506 -0.238) 1.527 6.854 ( 0.522 -4.493 -0.525) 4.554 7.009 ( -0.493 1.473 0.829) 1.761 7.058 ( -0.802 -3.397 0.811) 3.583 8.116 ( 0.354 1.172 -0.098) 1.228 8.149 ( 0.252 -2.171 0.575) 2.260 ======================= Grid point 150 (84/104) ======================= q-point: (-0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -2.169 15.203 2.505) 15.560 1.050 ( -5.922 3.557 5.627) 8.910 1.146 ( -5.666 -1.485 3.655) 6.904 1.339 ( -1.999 -9.809 0.539) 10.025 1.716 ( -3.730 7.161 0.610) 8.098 1.772 ( 0.311 2.089 3.628) 4.198 1.832 ( 1.331 -2.892 -0.122) 3.186 1.879 ( -3.372 -4.999 -1.443) 6.201 2.071 ( 2.549 4.505 2.619) 5.801 2.178 ( 1.653 -3.637 2.899) 4.936 2.220 ( -0.236 1.654 -0.167) 1.680 2.315 ( 0.657 -5.422 -0.662) 5.501 2.326 ( -0.711 4.014 -2.514) 4.789 2.426 ( 1.399 -5.160 -1.968) 5.697 2.528 ( 1.754 5.220 -4.212) 6.933 2.630 ( -1.364 -3.554 -6.419) 7.463 2.768 ( -2.283 3.632 6.505) 7.792 2.805 ( -1.126 -1.068 5.530) 5.744 2.891 ( -1.379 -0.226 0.016) 1.397 2.903 ( 0.729 -1.467 -0.762) 1.807 3.165 ( 0.097 11.089 -1.763) 11.229 3.354 ( 2.147 -6.601 -1.662) 7.137 3.662 ( 0.411 9.006 -1.399) 9.123 3.785 ( 1.527 5.075 -0.565) 5.329 3.837 ( -0.714 -2.204 -0.272) 2.333 3.956 ( 0.387 -6.430 -0.684) 6.478 4.155 ( 2.766 1.336 0.651) 3.140 4.209 ( 1.878 -3.497 -0.326) 3.983 4.733 ( -1.474 0.605 -0.044) 1.594 4.781 ( -1.139 -3.487 -0.165) 3.672 5.172 ( 1.296 -0.036 -0.406) 1.359 5.227 ( 0.056 -5.049 -0.600) 5.085 5.683 ( 0.263 1.774 0.110) 1.797 5.702 ( -0.235 -0.387 0.030) 0.454 6.147 ( -1.206 3.352 -1.231) 3.769 6.201 ( -1.916 -1.826 -0.995) 2.828 6.518 ( 1.223 4.918 0.066) 5.068 6.553 ( -0.742 1.611 0.111) 1.777 6.633 ( 0.621 2.247 0.227) 2.342 6.703 ( 2.327 -4.443 0.187) 5.019 6.767 ( 0.455 1.931 -0.120) 1.987 6.809 ( 0.435 1.170 0.285) 1.280 6.818 ( -0.038 -1.963 -0.052) 1.964 6.857 ( -0.069 -3.870 -0.232) 3.878 7.004 ( -0.380 1.063 0.796) 1.381 7.046 ( -0.655 -3.172 0.718) 3.317 8.120 ( 0.073 1.402 -0.050) 1.405 8.154 ( -0.035 -2.043 0.663) 2.148 ======================= Grid point 175 (85/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -0.000 0.000 0.000) 0.000 0.801 ( 0.000 0.000 0.000) 0.000 1.046 ( -0.000 0.000 0.000) 0.000 1.379 ( -0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 -0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.801 ( -0.000 0.000 0.000) 0.000 1.966 ( -0.000 0.000 0.000) 0.000 2.025 ( -0.000 0.000 0.000) 0.000 2.068 ( -0.000 0.000 -0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.187 ( -0.000 0.000 0.000) 0.000 2.348 ( -0.000 0.000 0.000) 0.000 2.506 ( -0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 -0.000) 0.000 2.613 ( -0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.847 ( -0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.073 ( -0.000 0.000 0.000) 0.000 3.119 ( -0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.641 ( -0.000 0.000 0.000) 0.000 3.925 ( -0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.284 ( -0.000 0.000 0.000) 0.000 4.485 ( -0.000 0.000 0.000) 0.000 4.739 ( -0.000 0.000 0.000) 0.000 4.825 ( -0.000 0.000 0.000) 0.000 5.400 ( -0.000 0.000 0.000) 0.000 5.485 ( -0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.773 ( -0.000 0.000 0.000) 0.000 5.964 ( -0.000 0.000 0.000) 0.000 6.070 ( -0.000 0.000 0.000) 0.000 6.235 ( -0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.732 ( -0.000 0.000 0.000) 0.000 6.790 ( -0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.014 ( -0.000 0.000 0.000) 0.000 7.016 ( -0.000 0.000 0.000) 0.000 7.221 ( -0.000 0.000 0.000) 0.000 8.093 ( -0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 177 (86/104) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 9.120 0.000 -0.579) 9.138 0.736 ( -1.090 0.000 -12.485) 12.532 0.981 ( -3.567 0.000 5.749) 6.766 1.395 ( 0.279 0.000 4.064) 4.073 1.527 ( 5.604 0.000 2.605) 6.179 1.675 ( 0.945 0.000 -1.539) 1.806 1.749 ( -3.523 0.000 -3.351) 4.863 1.985 ( 1.609 0.000 0.247) 1.628 2.051 ( 1.978 0.000 -0.608) 2.069 2.068 ( -1.087 0.000 4.048) 4.191 2.140 ( -3.349 0.000 -3.628) 4.938 2.189 ( 2.594 0.000 1.363) 2.930 2.404 ( 5.810 0.000 -2.272) 6.239 2.547 ( -8.412 0.000 1.122) 8.487 2.578 ( -2.778 0.000 4.153) 4.996 2.611 ( 8.515 0.000 2.030) 8.754 2.630 ( 1.140 0.000 -1.576) 1.945 2.849 ( -2.720 0.000 1.464) 3.089 2.985 ( 4.361 0.000 -1.249) 4.536 3.035 ( 3.262 0.000 -1.840) 3.745 3.150 ( 5.064 0.000 -1.911) 5.412 3.162 ( 5.040 0.000 0.732) 5.092 3.293 ( -2.468 0.000 0.096) 2.470 3.617 ( -2.241 0.000 0.254) 2.255 3.858 ( -5.894 0.000 -1.742) 6.146 4.149 ( -3.698 0.000 -2.626) 4.535 4.250 ( -3.745 0.000 1.125) 3.910 4.484 ( -0.519 0.000 0.643) 0.827 4.742 ( 0.279 0.000 -0.206) 0.347 4.849 ( 2.372 0.000 0.093) 2.374 5.403 ( -0.080 0.000 0.148) 0.168 5.482 ( -0.302 0.000 0.180) 0.351 5.529 ( -3.387 0.000 0.006) 3.387 5.855 ( 5.765 0.000 0.502) 5.787 5.975 ( 0.957 0.000 -0.016) 0.957 6.073 ( 0.284 0.000 0.075) 0.294 6.234 ( -0.051 0.000 -0.031) 0.060 6.368 ( 0.238 0.000 -0.054) 0.244 6.529 ( -0.914 0.000 0.048) 0.916 6.709 ( -2.124 0.000 0.281) 2.143 6.792 ( 0.268 0.000 -0.015) 0.268 6.857 ( -0.143 0.000 -0.309) 0.340 6.972 ( -0.531 0.000 -0.764) 0.931 7.013 ( -0.269 0.000 -0.015) 0.269 7.035 ( 0.816 0.000 0.743) 1.104 7.230 ( 0.783 0.000 -0.119) 0.792 8.082 ( -0.775 0.000 0.878) 1.171 8.274 ( 0.395 0.000 1.484) 1.536 ======================= Grid point 178 (87/104) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 13.203 0.000 0.759) 13.224 0.800 ( 11.923 0.000 -3.067) 12.311 0.979 ( -0.098 0.000 6.636) 6.637 1.411 ( -1.102 0.000 4.657) 4.785 1.607 ( -5.288 0.000 -5.762) 7.821 1.632 ( 4.199 0.000 1.028) 4.322 1.729 ( 2.260 0.000 -1.585) 2.760 1.995 ( -4.038 0.000 -1.967) 4.491 2.046 ( -0.017 0.000 3.594) 3.594 2.081 ( -0.546 0.000 1.476) 1.573 2.088 ( 2.288 0.000 -1.463) 2.716 2.241 ( 0.981 0.000 1.885) 2.125 2.388 ( -7.733 0.000 3.649) 8.550 2.536 ( -2.737 0.000 1.835) 3.295 2.540 ( 7.431 0.000 -2.424) 7.816 2.645 ( 0.764 0.000 -0.122) 0.774 2.751 ( 1.225 0.000 -2.559) 2.837 2.884 ( 8.525 0.000 1.106) 8.596 3.060 ( 0.559 0.000 -3.146) 3.196 3.079 ( 4.877 0.000 -1.514) 5.106 3.172 ( -1.269 0.000 -3.590) 3.808 3.273 ( 5.973 0.000 0.354) 5.984 3.360 ( 7.521 0.000 1.282) 7.629 3.563 ( -2.862 0.000 0.355) 2.884 3.694 ( -8.217 0.000 -2.247) 8.519 4.028 ( -6.882 0.000 -1.463) 7.036 4.142 ( -7.338 0.000 1.943) 7.590 4.468 ( -1.229 0.000 0.576) 1.358 4.745 ( 0.026 0.000 -0.300) 0.301 4.905 ( 2.209 0.000 0.670) 2.308 5.388 ( -0.904 0.000 0.218) 0.929 5.476 ( -0.336 0.000 0.231) 0.408 5.498 ( 0.107 0.000 0.330) 0.347 5.967 ( 4.389 0.000 0.441) 4.411 5.995 ( 0.857 0.000 0.044) 0.858 6.081 ( 0.467 0.000 0.062) 0.471 6.235 ( 0.191 0.000 -0.029) 0.193 6.375 ( 0.464 0.000 -0.080) 0.471 6.507 ( -0.929 0.000 -0.130) 0.938 6.658 ( -2.769 0.000 0.192) 2.776 6.799 ( 0.372 0.000 -0.022) 0.373 6.839 ( -1.415 0.000 -0.473) 1.492 6.974 ( 1.044 0.000 -0.892) 1.374 7.006 ( -0.391 0.000 -0.024) 0.392 7.045 ( -0.193 0.000 0.867) 0.888 7.246 ( 0.696 0.000 0.085) 0.701 8.083 ( 0.423 0.000 1.173) 1.247 8.279 ( -0.461 0.000 0.996) 1.097 ======================= Grid point 179 (88/104) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.883 0.000 5.130) 5.205 0.994 ( 13.491 0.000 1.072) 13.533 1.121 ( 12.799 0.000 2.755) 13.092 1.382 ( -3.964 0.000 3.606) 5.359 1.474 ( -4.564 0.000 -5.404) 7.073 1.732 ( 6.163 0.000 -0.799) 6.215 1.761 ( 1.104 0.000 -1.250) 1.667 1.875 ( -4.898 0.000 -0.803) 4.963 2.074 ( 0.136 0.000 1.089) 1.097 2.108 ( 1.963 0.000 3.407) 3.932 2.117 ( -0.804 0.000 1.558) 1.753 2.221 ( -5.472 0.000 0.666) 5.513 2.309 ( 2.080 0.000 5.014) 5.429 2.485 ( -2.396 0.000 -0.092) 2.397 2.628 ( 0.786 0.000 -2.894) 2.999 2.659 ( 0.545 0.000 0.292) 0.618 2.725 ( -2.992 0.000 -4.597) 5.485 3.010 ( 5.919 0.000 -5.240) 7.905 3.075 ( 0.984 0.000 2.334) 2.533 3.153 ( 2.742 0.000 -1.164) 2.978 3.212 ( 7.558 0.000 -6.717) 10.111 3.387 ( 3.623 0.000 1.625) 3.971 3.468 ( -1.197 0.000 -2.154) 2.464 3.516 ( -1.682 0.000 0.318) 1.712 3.575 ( 0.755 0.000 2.806) 2.906 3.878 ( -6.396 0.000 0.136) 6.398 3.981 ( -8.801 0.000 2.171) 9.064 4.446 ( -0.948 0.000 0.300) 0.994 4.741 ( -0.210 0.000 -0.223) 0.306 4.929 ( -0.056 0.000 0.678) 0.680 5.395 ( 1.398 0.000 0.269) 1.424 5.471 ( -0.181 0.000 0.151) 0.235 5.508 ( 0.307 0.000 0.175) 0.354 6.006 ( 0.176 0.000 0.078) 0.192 6.027 ( 1.336 0.000 0.196) 1.350 6.091 ( 0.451 0.000 0.005) 0.451 6.241 ( 0.301 0.000 -0.003) 0.301 6.385 ( 0.451 0.000 -0.061) 0.455 6.505 ( 1.000 0.000 0.052) 1.001 6.602 ( -2.716 0.000 -0.069) 2.717 6.803 ( -1.510 0.000 -0.483) 1.585 6.806 ( 0.246 0.000 -0.016) 0.246 6.997 ( 1.457 0.000 -1.054) 1.799 6.998 ( -0.279 0.000 -0.019) 0.280 7.037 ( -0.889 0.000 1.055) 1.380 7.258 ( 0.357 0.000 0.133) 0.381 8.103 ( 0.756 0.000 0.834) 1.125 8.271 ( -0.462 0.000 0.265) 0.532 ======================= Grid point 180 (89/104) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 0.000 0.000) 0.000 1.226 ( -0.000 0.000 0.000) 0.000 1.270 ( 0.000 0.000 0.000) 0.000 1.278 ( -0.000 0.000 0.000) 0.000 1.407 ( -0.000 0.000 0.000) 0.000 1.763 ( -0.000 0.000 0.000) 0.000 1.824 ( -0.000 0.000 0.000) 0.000 1.843 ( -0.000 0.000 0.000) 0.000 2.047 ( -0.000 0.000 0.000) 0.000 2.077 ( -0.000 0.000 -0.000) 0.000 2.144 ( -0.000 0.000 0.000) 0.000 2.170 ( -0.000 0.000 0.000) 0.000 2.455 ( -0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.476 ( -0.000 0.000 -0.000) 0.000 2.666 ( -0.000 0.000 0.000) 0.000 2.700 ( -0.000 0.000 0.000) 0.000 3.052 ( -0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.177 ( -0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 -0.000) 0.000 3.335 ( -0.000 0.000 0.000) 0.000 3.450 ( -0.000 0.000 0.000) 0.000 3.500 ( -0.000 0.000 0.000) 0.000 3.639 ( -0.000 0.000 0.000) 0.000 3.822 ( -0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 -0.000) 0.000 4.436 ( -0.000 0.000 0.000) 0.000 4.737 ( -0.000 0.000 0.000) 0.000 4.926 ( -0.000 0.000 0.000) 0.000 5.419 ( -0.000 0.000 0.000) 0.000 5.470 ( -0.000 0.000 0.000) 0.000 5.509 ( -0.000 0.000 0.000) 0.000 6.007 ( -0.000 0.000 0.000) 0.000 6.037 ( -0.000 0.000 0.000) 0.000 6.097 ( -0.000 0.000 0.000) 0.000 6.244 ( -0.000 0.000 0.000) 0.000 6.390 ( -0.000 0.000 0.000) 0.000 6.541 ( -0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.785 ( -0.000 0.000 0.000) 0.000 6.808 ( -0.000 0.000 0.000) 0.000 6.995 ( -0.000 0.000 0.000) 0.000 7.017 ( -0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 -0.000) 0.000 7.262 ( -0.000 0.000 0.000) 0.000 8.114 ( -0.000 0.000 0.000) 0.000 8.267 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 185 (90/104) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -0.000 21.575 0.000) 21.575 0.698 ( 0.000 -6.380 -0.000) 6.380 1.004 ( 0.000 -0.547 0.000) 0.547 1.372 ( 0.000 -3.650 0.000) 3.650 1.597 ( -0.000 14.684 0.000) 14.684 1.751 ( 0.000 3.909 -0.000) 3.909 1.821 ( 0.000 4.416 0.000) 4.416 1.975 ( -0.000 -3.451 0.000) 3.451 1.994 ( -0.000 2.323 0.000) 2.323 2.121 ( 0.000 -4.468 0.000) 4.468 2.173 ( 0.000 -0.126 0.000) 0.126 2.230 ( 0.000 12.034 0.000) 12.034 2.306 ( -0.000 -0.377 0.000) 0.377 2.502 ( -0.000 0.085 0.000) 0.085 2.547 ( -0.000 -5.194 0.000) 5.194 2.657 ( 0.000 -0.347 0.000) 0.347 2.712 ( 0.000 6.440 0.000) 6.440 2.766 ( -0.000 -9.873 0.000) 9.873 2.880 ( -0.000 0.472 0.000) 0.472 3.035 ( -0.000 -3.565 0.000) 3.565 3.066 ( -0.000 2.148 0.000) 2.148 3.161 ( 0.000 -0.204 0.000) 0.204 3.363 ( 0.000 7.980 0.000) 7.980 3.657 ( -0.000 0.583 0.000) 0.583 3.918 ( -0.000 -0.757 0.000) 0.757 4.193 ( 0.000 -0.084 0.000) 0.084 4.255 ( -0.000 -3.369 0.000) 3.369 4.392 ( -0.000 -7.384 0.000) 7.384 4.772 ( -0.000 2.320 0.000) 2.320 4.795 ( -0.000 -2.615 0.000) 2.615 5.378 ( -0.000 -2.352 0.000) 2.352 5.465 ( 0.000 -7.161 0.000) 7.161 5.556 ( 0.000 2.624 0.000) 2.624 5.735 ( -0.000 -2.714 0.000) 2.714 5.997 ( 0.000 2.778 0.000) 2.778 6.115 ( -0.000 3.478 0.000) 3.478 6.306 ( -0.000 6.224 0.000) 6.224 6.394 ( -0.000 2.583 0.000) 2.583 6.552 ( 0.000 1.369 0.000) 1.369 6.738 ( -0.000 0.699 0.000) 0.699 6.789 ( -0.000 -0.144 0.000) 0.144 6.848 ( 0.000 -0.760 0.000) 0.760 6.967 ( 0.000 -3.630 0.000) 3.630 6.970 ( -0.000 -2.013 -0.000) 2.013 7.022 ( -0.000 -0.342 0.000) 0.342 7.191 ( 0.000 -2.922 0.000) 2.922 8.087 ( -0.000 -0.328 0.000) 0.328 8.244 ( 0.000 -1.589 0.000) 1.589 ======================= Grid point 187 (91/104) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.759 -2.565 -7.762) 8.210 0.765 ( 7.211 21.179 1.214) 22.406 0.991 ( -1.478 1.809 5.392) 5.876 1.399 ( 3.210 -4.544 -0.682) 5.605 1.562 ( -3.065 8.700 3.009) 9.703 1.765 ( -2.110 1.287 -3.847) 4.573 1.806 ( 1.556 7.806 -0.274) 7.964 1.990 ( 1.193 -0.025 -2.273) 2.567 2.011 ( 1.835 -0.786 0.584) 2.080 2.100 ( -2.212 -2.001 2.163) 3.684 2.185 ( -0.294 3.110 2.874) 4.245 2.227 ( 0.609 8.037 -1.566) 8.210 2.377 ( 5.792 -1.628 0.419) 6.031 2.524 ( -5.399 -2.966 2.956) 6.833 2.547 ( -2.318 -2.009 0.330) 3.086 2.615 ( 4.865 0.359 0.010) 4.878 2.677 ( 0.911 2.359 -0.669) 2.616 2.780 ( 0.637 -7.961 -1.377) 8.104 2.932 ( 0.189 3.098 -0.263) 3.115 3.031 ( 4.121 -2.663 -0.080) 4.907 3.120 ( 3.331 -3.896 -2.748) 5.816 3.227 ( 5.352 1.955 1.620) 5.923 3.348 ( -0.952 8.728 -0.620) 8.802 3.622 ( -2.908 0.009 -0.389) 2.934 3.870 ( -4.354 0.990 -1.037) 4.584 4.137 ( -4.138 -1.191 -2.102) 4.791 4.233 ( -3.054 -1.703 0.715) 3.569 4.391 ( -0.500 -7.601 0.874) 7.668 4.766 ( 0.065 1.010 0.055) 1.013 4.834 ( 3.019 -0.991 -0.085) 3.178 5.352 ( -2.387 -4.693 0.032) 5.265 5.463 ( -0.073 -5.051 0.100) 5.052 5.545 ( -0.592 4.148 0.153) 4.192 5.776 ( 3.070 -5.162 0.432) 6.022 6.005 ( 0.790 2.689 0.007) 2.803 6.139 ( 2.236 4.353 0.075) 4.894 6.292 ( -1.206 5.189 -0.039) 5.327 6.403 ( 0.727 3.228 0.054) 3.309 6.544 ( -0.774 1.566 0.056) 1.748 6.712 ( -2.343 0.399 0.198) 2.384 6.791 ( 0.156 -0.217 -0.046) 0.271 6.850 ( 0.011 -0.557 -0.271) 0.620 6.938 ( -0.814 -3.244 -0.671) 3.411 6.994 ( 0.571 -2.175 0.405) 2.285 7.024 ( 0.087 -0.784 0.244) 0.826 7.199 ( 0.721 -2.986 -0.053) 3.073 8.080 ( -0.528 -0.005 0.812) 0.969 8.253 ( 0.339 -1.928 0.890) 2.151 ======================= Grid point 188 (92/104) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 7.287 -0.540 -3.781) 8.227 0.944 ( 4.329 8.033 5.421) 10.614 1.056 ( 8.811 12.829 3.711) 15.999 1.489 ( 4.971 -3.333 0.486) 6.004 1.514 ( -2.921 2.682 2.709) 4.803 1.668 ( -3.981 5.414 -5.721) 8.825 1.833 ( 0.363 2.659 -0.463) 2.723 2.000 ( -0.047 3.325 -2.083) 3.924 2.040 ( -1.069 -0.723 3.117) 3.374 2.083 ( 1.850 0.427 0.786) 2.055 2.152 ( -2.975 4.265 1.580) 5.435 2.260 ( 1.298 2.206 0.411) 2.592 2.349 ( -7.399 -1.635 3.246) 8.244 2.500 ( 0.127 -3.306 -0.897) 3.428 2.555 ( 4.462 1.197 1.309) 4.802 2.661 ( 2.638 -2.827 -2.269) 4.484 2.759 ( -1.727 -1.185 -1.430) 2.536 2.828 ( 8.814 -2.451 -3.113) 9.664 2.944 ( 2.418 -0.919 1.124) 2.821 3.111 ( 3.187 -1.242 -5.104) 6.144 3.181 ( 3.401 -2.297 2.216) 4.664 3.337 ( 1.847 4.958 -2.626) 5.907 3.370 ( 6.380 1.945 1.782) 6.904 3.558 ( -2.722 0.643 -0.323) 2.815 3.745 ( -6.569 4.078 -1.397) 7.857 4.016 ( -6.869 -1.215 -1.059) 7.056 4.133 ( -6.952 -0.854 1.252) 7.116 4.375 ( -1.372 -7.671 0.771) 7.831 4.775 ( 0.684 1.663 -0.145) 1.805 4.896 ( 2.305 -0.805 0.555) 2.504 5.304 ( -1.639 -6.384 0.133) 6.593 5.465 ( 0.131 -3.349 0.242) 3.360 5.541 ( 0.076 4.376 0.247) 4.383 5.837 ( 2.369 -7.496 0.375) 7.870 6.028 ( 1.374 2.725 -0.034) 3.052 6.191 ( 1.858 6.613 0.201) 6.872 6.268 ( -0.321 2.755 -0.056) 2.774 6.419 ( 0.733 4.004 0.053) 4.071 6.524 ( -1.021 1.883 -0.099) 2.144 6.656 ( -2.996 -0.127 0.130) 3.001 6.793 ( 0.040 -0.610 -0.112) 0.622 6.836 ( -1.145 -0.270 -0.409) 1.246 6.936 ( 0.844 -3.405 -0.677) 3.572 6.998 ( -0.128 -1.457 0.200) 1.476 7.025 ( -0.294 -1.498 0.500) 1.606 7.215 ( 0.738 -2.987 0.084) 3.078 8.082 ( 0.285 -0.016 1.075) 1.113 8.257 ( -0.316 -2.064 0.631) 2.181 ======================= Grid point 189 (93/104) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 11.320 -5.400 1.302) 12.609 0.998 ( 0.450 1.808 4.633) 4.993 1.303 ( 9.808 15.123 2.077) 18.144 1.456 ( -3.260 3.792 1.704) 5.283 1.564 ( -3.484 8.285 -3.885) 9.792 1.606 ( 6.253 -5.163 -0.925) 8.162 1.803 ( -2.741 -2.211 -0.373) 3.541 1.949 ( -3.134 6.789 0.602) 7.501 2.058 ( 1.488 -3.052 1.202) 3.602 2.108 ( -1.327 0.948 -0.097) 1.634 2.144 ( 0.584 3.034 2.202) 3.794 2.204 ( -2.784 -0.070 0.978) 2.952 2.333 ( 1.913 2.365 4.639) 5.547 2.465 ( -1.910 -2.688 -0.217) 3.305 2.607 ( -0.213 -2.422 -1.707) 2.971 2.676 ( -1.831 -1.278 -4.504) 5.027 2.736 ( -0.030 3.604 -1.230) 3.808 2.960 ( 6.840 -1.841 -2.261) 7.435 3.018 ( 4.563 -3.013 0.159) 5.470 3.173 ( 3.595 -0.642 -3.035) 4.748 3.248 ( 3.641 1.046 -2.145) 4.353 3.385 ( 3.137 -0.142 0.059) 3.141 3.458 ( -2.343 1.535 -1.153) 3.028 3.541 ( 3.434 1.108 1.593) 3.944 3.630 ( -3.205 5.079 0.179) 6.008 3.865 ( -6.841 -1.197 0.555) 6.967 3.977 ( -8.300 -0.342 1.446) 8.432 4.349 ( -1.168 -7.887 0.389) 7.982 4.788 ( 0.610 3.135 -0.182) 3.199 4.919 ( -0.234 -1.146 0.584) 1.307 5.299 ( 0.803 -6.915 0.292) 6.968 5.471 ( 0.325 -3.273 0.054) 3.290 5.545 ( 0.030 4.133 0.219) 4.139 5.871 ( 0.865 -7.930 0.098) 7.978 6.060 ( 1.712 2.980 -0.045) 3.437 6.177 ( -2.275 5.244 0.047) 5.716 6.309 ( 3.101 4.547 0.220) 5.508 6.426 ( -0.268 4.059 -0.053) 4.068 6.514 ( 0.416 1.215 0.033) 1.285 6.597 ( -2.768 -0.492 -0.103) 2.813 6.787 ( -0.633 -1.083 -0.333) 1.298 6.814 ( -0.534 0.234 -0.152) 0.603 6.955 ( 1.036 -3.311 -0.632) 3.526 6.995 ( -0.177 -1.802 0.147) 1.817 7.017 ( -0.584 -1.244 0.530) 1.473 7.228 ( 0.412 -2.898 0.106) 2.929 8.097 ( 0.552 -0.453 0.764) 1.046 8.250 ( -0.390 -1.990 0.154) 2.033 ======================= Grid point 190 (94/104) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.000 1.494 0.000) 1.494 1.079 ( 0.000 -9.053 -0.000) 9.053 1.400 ( -0.000 13.469 0.000) 13.469 1.419 ( 0.000 4.971 -0.000) 4.971 1.503 ( -0.000 7.469 0.000) 7.469 1.709 ( -0.000 -3.256 0.000) 3.256 1.770 ( 0.000 -6.433 -0.000) 6.433 1.896 ( -0.000 6.445 0.000) 6.445 2.083 ( -0.000 -2.951 0.000) 2.951 2.101 ( -0.000 0.637 0.000) 0.637 2.107 ( -0.000 4.884 0.000) 4.884 2.216 ( -0.000 3.191 0.000) 3.191 2.394 ( -0.000 -3.722 0.000) 3.722 2.467 ( -0.000 -0.120 0.000) 0.120 2.521 ( -0.000 1.633 0.000) 1.633 2.651 ( -0.000 -4.317 0.000) 4.317 2.728 ( -0.000 7.206 0.000) 7.206 3.021 ( -0.000 -3.626 0.000) 3.626 3.125 ( 0.000 -0.163 0.000) 0.163 3.185 ( -0.000 -1.322 0.000) 1.322 3.316 ( -0.000 0.961 0.000) 0.961 3.356 ( 0.000 2.288 0.000) 2.288 3.432 ( -0.000 -1.097 0.000) 1.097 3.589 ( 0.000 6.459 0.000) 6.459 3.626 ( -0.000 -1.099 0.000) 1.099 3.793 ( -0.000 -2.665 0.000) 2.665 3.865 ( -0.000 1.014 0.000) 1.014 4.337 ( 0.000 -8.042 0.000) 8.042 4.795 ( -0.000 4.064 0.000) 4.064 4.913 ( -0.000 -1.530 0.000) 1.530 5.314 ( -0.000 -7.129 0.000) 7.129 5.475 ( -0.000 -3.708 0.000) 3.708 5.545 ( -0.000 4.388 0.000) 4.388 5.879 ( -0.000 -7.754 0.000) 7.754 6.086 ( -0.000 3.338 0.000) 3.338 6.143 ( -0.000 4.126 0.000) 4.126 6.350 ( -0.000 7.346 0.000) 7.346 6.416 ( -0.000 2.479 0.000) 2.479 6.540 ( -0.000 0.033 -0.000) 0.033 6.548 ( 0.000 -0.143 0.000) 0.143 6.776 ( -0.000 -0.767 0.000) 0.767 6.810 ( -0.000 0.073 0.000) 0.073 6.965 ( -0.000 -2.999 0.000) 2.999 6.994 ( 0.000 -2.946 -0.000) 2.946 7.011 ( -0.000 -0.413 0.000) 0.413 7.232 ( -0.000 -2.854 0.000) 2.854 8.106 ( -0.000 -0.688 0.000) 0.688 8.246 ( -0.000 -1.960 0.000) 1.960 ======================= Grid point 195 (95/104) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 9.584 0.000) 9.584 1.022 ( -0.000 1.768 0.000) 1.768 1.022 ( 0.000 10.317 -0.000) 10.317 1.339 ( -0.000 1.330 0.000) 1.330 1.744 ( 0.000 -3.257 0.000) 3.257 1.803 ( -0.000 4.619 0.000) 4.619 1.898 ( 0.000 -3.915 0.000) 3.915 1.898 ( -0.000 -3.006 -0.000) 3.006 2.060 ( -0.000 5.119 0.000) 5.119 2.085 ( 0.000 5.474 0.000) 5.474 2.184 ( 0.000 1.439 0.000) 1.439 2.250 ( 0.000 -1.024 0.000) 1.024 2.449 ( -0.000 -4.458 -0.000) 4.458 2.460 ( 0.000 0.064 0.000) 0.064 2.590 ( 0.000 -7.292 -0.000) 7.292 2.598 ( -0.000 2.245 0.000) 2.245 2.654 ( -0.000 11.163 0.000) 11.163 2.844 ( 0.000 6.016 0.000) 6.016 2.873 ( -0.000 -1.535 0.000) 1.535 2.962 ( -0.000 -1.806 0.000) 1.806 2.985 ( -0.000 -4.542 0.000) 4.542 3.295 ( 0.000 9.076 0.000) 9.076 3.547 ( 0.000 7.940 0.000) 7.940 3.659 ( -0.000 1.337 0.000) 1.337 3.893 ( 0.000 -2.017 0.000) 2.017 4.123 ( 0.000 -9.365 0.000) 9.365 4.195 ( -0.000 0.227 0.000) 0.227 4.281 ( 0.000 -3.600 0.000) 3.600 4.739 ( -0.000 -2.608 0.000) 2.608 4.802 ( 0.000 0.194 0.000) 0.194 5.287 ( -0.000 -8.653 0.000) 8.653 5.307 ( 0.000 -4.618 0.000) 4.618 5.635 ( 0.000 3.868 0.000) 3.868 5.700 ( -0.000 -0.658 0.000) 0.658 6.055 ( 0.000 3.012 0.000) 3.012 6.169 ( -0.000 1.472 0.000) 1.472 6.440 ( -0.000 6.696 0.000) 6.696 6.457 ( 0.000 3.762 0.000) 3.762 6.591 ( -0.000 2.434 0.000) 2.434 6.759 ( -0.000 1.384 0.000) 1.384 6.778 ( -0.000 -1.081 0.000) 1.081 6.831 ( 0.000 -1.060 0.000) 1.060 6.879 ( 0.000 -4.666 0.000) 4.666 6.916 ( -0.000 -3.377 -0.000) 3.377 7.010 ( -0.000 -0.613 0.000) 0.613 7.119 ( 0.000 -4.007 0.000) 4.007 8.091 ( -0.000 0.861 0.000) 0.861 8.206 ( 0.000 -2.175 0.000) 2.175 ======================= Grid point 197 (96/104) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 2.638 10.441 -2.269) 11.006 1.018 ( -0.065 3.944 4.047) 5.652 1.136 ( 8.148 8.930 3.250) 12.518 1.340 ( 0.770 1.177 -0.677) 1.561 1.683 ( -3.905 1.436 -0.493) 4.189 1.806 ( -0.474 2.864 -1.962) 3.504 1.846 ( -1.592 -1.727 -0.317) 2.370 1.962 ( 3.466 -4.659 -0.736) 5.853 2.054 ( -0.545 0.894 1.199) 1.592 2.106 ( 1.318 7.515 -1.224) 7.727 2.202 ( 0.881 0.726 2.148) 2.432 2.306 ( 4.747 -1.706 1.509) 5.265 2.428 ( -2.444 -0.444 2.047) 3.219 2.451 ( -2.070 -2.770 -0.797) 3.548 2.541 ( -3.095 -5.281 -0.683) 6.159 2.552 ( -4.048 -1.460 1.341) 4.507 2.685 ( 3.981 10.069 -2.411) 11.093 2.805 ( 0.624 3.588 -1.212) 3.838 2.953 ( 2.716 -4.416 0.517) 5.210 2.979 ( 2.668 1.949 -1.438) 3.603 3.042 ( 5.458 -2.285 -3.107) 6.684 3.331 ( 2.907 6.665 1.710) 7.470 3.502 ( -4.053 5.160 -0.514) 6.582 3.643 ( -0.576 4.437 -0.717) 4.532 3.881 ( -1.738 -0.530 0.121) 1.821 4.081 ( -3.141 -5.306 -1.508) 6.348 4.189 ( -1.400 -2.143 -0.611) 2.632 4.261 ( -2.157 -4.502 1.679) 5.267 4.749 ( 0.820 -2.034 0.488) 2.247 4.825 ( 2.140 -0.793 -0.125) 2.286 5.236 ( -3.034 -5.991 -0.187) 6.718 5.340 ( 1.422 -6.762 0.148) 6.911 5.629 ( -0.473 3.761 0.146) 3.794 5.711 ( 0.924 -1.403 0.326) 1.711 6.066 ( 0.998 3.309 0.071) 3.457 6.199 ( 2.747 1.324 0.054) 3.050 6.405 ( -2.329 5.927 0.031) 6.368 6.482 ( 1.349 4.534 0.188) 4.734 6.588 ( -0.278 2.624 0.013) 2.638 6.725 ( -2.883 0.845 0.053) 3.005 6.782 ( 0.222 -0.787 -0.152) 0.832 6.836 ( -0.083 -1.309 -0.242) 1.334 6.857 ( -0.847 -4.006 -0.328) 4.108 6.931 ( 0.584 -3.959 0.471) 4.030 7.009 ( -0.063 -0.531 -0.022) 0.536 7.126 ( 0.643 -4.045 0.020) 4.096 8.088 ( -0.312 0.923 0.587) 1.137 8.208 ( 0.076 -2.471 0.230) 2.483 ======================= Grid point 198 (97/104) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 2.722 8.750 -2.167) 9.416 1.041 ( 0.028 4.656 4.764) 6.662 1.333 ( 6.208 -0.945 2.924) 6.927 1.398 ( 7.022 7.328 -0.136) 10.150 1.629 ( -1.119 5.553 1.026) 5.756 1.785 ( -0.444 4.812 -1.949) 5.210 1.797 ( -3.597 -3.623 -0.776) 5.164 2.011 ( -0.904 -1.370 -0.890) 1.868 2.041 ( 1.299 -4.063 0.130) 4.267 2.113 ( -1.233 4.364 -0.107) 4.536 2.233 ( 0.843 4.269 4.822) 6.495 2.296 ( -5.027 1.596 -0.679) 5.318 2.410 ( -0.310 -4.656 -1.235) 4.827 2.428 ( -3.043 4.685 0.658) 5.625 2.518 ( 6.138 -5.214 0.622) 8.078 2.541 ( 1.605 -4.181 -0.771) 4.544 2.752 ( 3.673 3.994 -0.277) 5.434 2.877 ( 5.779 3.095 -2.284) 6.942 2.950 ( -0.709 -0.159 -1.628) 1.783 3.056 ( 3.769 -4.004 -1.840) 5.799 3.157 ( 6.738 0.690 -2.712) 7.296 3.387 ( -1.254 -1.960 0.083) 2.329 3.438 ( 1.504 7.736 2.172) 8.174 3.633 ( -0.408 6.449 -1.282) 6.587 3.816 ( -4.242 2.306 -0.250) 4.835 3.984 ( -5.816 -1.664 -0.927) 6.120 4.111 ( -5.740 -1.373 -0.693) 5.942 4.223 ( -2.175 -6.864 1.807) 7.423 4.778 ( 1.705 -1.339 0.497) 2.224 4.870 ( 1.586 -2.374 0.268) 2.867 5.182 ( -1.681 -4.817 -0.071) 5.102 5.359 ( 0.485 -7.005 -0.046) 7.021 5.622 ( -0.204 3.575 0.287) 3.593 5.736 ( 1.207 -2.703 0.373) 2.984 6.095 ( 1.747 3.905 0.018) 4.278 6.272 ( 4.001 0.537 0.092) 4.038 6.351 ( -2.962 6.269 0.115) 6.935 6.508 ( 0.950 4.438 0.208) 4.543 6.580 ( -0.493 3.220 -0.072) 3.258 6.655 ( -3.704 0.153 -0.054) 3.708 6.781 ( -0.382 -0.395 -0.256) 0.607 6.818 ( -0.791 -2.453 -0.377) 2.605 6.861 ( 0.777 -3.094 -0.217) 3.198 6.935 ( -0.396 -4.412 0.581) 4.467 7.008 ( -0.055 -0.265 -0.050) 0.275 7.142 ( 0.782 -4.092 0.062) 4.167 8.088 ( -0.073 0.661 0.786) 1.030 8.207 ( -0.283 -2.792 0.164) 2.811 ======================= Grid point 199 (98/104) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 5.948 2.108 0.839) 6.365 1.062 ( 0.077 4.517 3.401) 5.654 1.396 ( 1.746 -6.800 0.306) 7.027 1.562 ( 4.712 4.367 -0.740) 6.467 1.606 ( -4.187 -0.293 -1.634) 4.504 1.707 ( -0.801 7.390 0.648) 7.462 1.782 ( 0.162 5.180 -0.313) 5.192 1.970 ( -0.678 -4.807 0.869) 4.932 2.062 ( -2.465 3.358 1.105) 4.309 2.092 ( 2.256 -0.862 -1.247) 2.718 2.198 ( -3.437 -1.926 -1.420) 4.188 2.289 ( 1.755 8.922 3.636) 9.793 2.371 ( -2.347 0.150 2.672) 3.560 2.437 ( 1.321 -0.649 -0.178) 1.482 2.533 ( 0.849 -0.396 0.336) 0.995 2.620 ( 1.056 -3.015 -5.025) 5.955 2.858 ( 4.064 5.844 0.513) 7.137 2.929 ( 1.820 -0.943 -0.367) 2.083 3.014 ( 7.899 1.738 -1.392) 8.207 3.098 ( 0.966 -6.140 -1.081) 6.309 3.274 ( 5.988 2.049 -3.861) 7.413 3.374 ( 1.369 -0.592 1.215) 1.924 3.498 ( -0.160 2.185 1.589) 2.706 3.597 ( -1.564 3.931 -0.905) 4.326 3.737 ( -2.268 5.593 -0.963) 6.112 3.845 ( -7.210 -0.166 1.046) 7.287 3.971 ( -6.817 -0.291 -0.206) 6.827 4.190 ( -1.544 -7.681 0.811) 7.877 4.818 ( 1.848 -0.684 0.311) 1.994 4.879 ( -0.728 -3.191 0.168) 3.277 5.173 ( 0.452 -4.591 0.305) 4.623 5.363 ( 0.108 -7.073 -0.312) 7.081 5.623 ( 0.088 3.588 0.275) 3.599 5.758 ( 0.754 -3.391 0.166) 3.478 6.135 ( 2.175 4.460 -0.071) 4.963 6.278 ( -3.219 4.243 0.091) 5.327 6.367 ( 4.359 1.838 0.252) 4.738 6.515 ( -0.921 3.712 0.136) 3.827 6.568 ( -0.547 4.115 -0.122) 4.153 6.586 ( -2.389 -0.138 -0.172) 2.399 6.767 ( -0.559 -0.633 -0.283) 0.891 6.807 ( -0.253 -1.332 -0.149) 1.364 6.878 ( 0.939 -3.866 -0.369) 3.995 6.924 ( -0.805 -4.679 0.630) 4.789 7.007 ( -0.035 0.028 -0.045) 0.064 7.156 ( 0.478 -4.102 0.051) 4.130 8.092 ( 0.109 0.086 0.560) 0.577 8.200 ( -0.342 -2.884 0.010) 2.904 ======================= Grid point 200 (99/104) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -0.000 -1.855 0.000) 1.855 1.071 ( -0.000 4.393 0.000) 4.393 1.443 ( -0.000 -4.652 0.000) 4.652 1.486 ( 0.000 -8.897 0.000) 8.897 1.584 ( -0.000 4.415 0.000) 4.415 1.748 ( -0.000 7.201 0.000) 7.201 1.779 ( 0.000 8.937 0.000) 8.937 1.982 ( -0.000 -6.594 0.000) 6.594 2.034 ( -0.000 6.898 0.000) 6.898 2.116 ( 0.000 -0.234 0.000) 0.234 2.151 ( -0.000 -2.636 0.000) 2.636 2.320 ( -0.000 6.459 0.000) 6.459 2.351 ( -0.000 0.806 0.000) 0.806 2.450 ( -0.000 -2.574 0.000) 2.574 2.574 ( 0.000 -1.405 0.000) 1.405 2.576 ( -0.000 4.907 -0.000) 4.907 2.891 ( -0.000 2.099 0.000) 2.099 2.957 ( -0.000 3.703 0.000) 3.703 3.099 ( -0.000 -5.872 0.000) 5.872 3.144 ( 0.000 0.746 0.000) 0.746 3.363 ( -0.000 1.718 0.000) 1.718 3.398 ( -0.000 1.012 0.000) 1.012 3.424 ( -0.000 1.725 0.000) 1.725 3.607 ( -0.000 -1.009 0.000) 1.009 3.723 ( -0.000 7.237 0.000) 7.237 3.747 ( -0.000 -0.717 -0.000) 0.717 3.886 ( -0.000 0.812 0.000) 0.812 4.175 ( 0.000 -7.858 0.000) 7.858 4.847 ( 0.000 0.292 0.000) 0.292 4.860 ( -0.000 -3.828 0.000) 3.828 5.183 ( -0.000 -4.985 0.000) 4.985 5.363 ( -0.000 -7.058 0.000) 7.058 5.625 ( -0.000 3.674 0.000) 3.674 5.766 ( -0.000 -3.497 0.000) 3.497 6.169 ( -0.000 4.931 0.000) 4.931 6.232 ( -0.000 4.348 0.000) 4.348 6.453 ( -0.000 1.952 0.000) 1.952 6.461 ( 0.000 0.935 0.000) 0.935 6.563 ( -0.000 2.418 -0.000) 2.418 6.566 ( 0.000 3.426 0.000) 3.426 6.761 ( -0.000 -0.600 0.000) 0.600 6.804 ( -0.000 -0.985 0.000) 0.985 6.890 ( -0.000 -4.145 0.000) 4.145 6.915 ( -0.000 -4.768 0.000) 4.768 7.006 ( -0.000 0.147 0.000) 0.147 7.161 ( -0.000 -4.100 0.000) 4.100 8.095 ( -0.000 -0.209 0.000) 0.209 8.196 ( -0.000 -2.895 0.000) 2.895 ======================= Grid point 205 (100/104) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.000 17.788 0.000) 17.788 1.061 ( 0.000 2.059 0.000) 2.059 1.091 ( -0.000 -0.637 0.000) 0.637 1.317 ( 0.000 -9.512 0.000) 9.512 1.689 ( 0.000 2.117 0.000) 2.117 1.786 ( -0.000 -4.913 0.000) 4.913 1.842 ( 0.000 -1.066 -0.000) 1.066 1.844 ( -0.000 -1.141 0.000) 1.141 2.182 ( -0.000 2.758 -0.000) 2.758 2.196 ( 0.000 7.712 0.000) 7.712 2.227 ( 0.000 -1.573 0.000) 1.573 2.269 ( 0.000 6.765 0.000) 6.765 2.346 ( -0.000 -6.702 0.000) 6.702 2.399 ( -0.000 -5.641 0.000) 5.641 2.511 ( -0.000 -0.508 0.000) 0.508 2.540 ( 0.000 -2.907 0.000) 2.907 2.844 ( 0.000 -0.577 -0.000) 0.577 2.850 ( -0.000 1.463 0.000) 1.463 2.870 ( -0.000 2.150 0.000) 2.150 2.928 ( -0.000 -2.298 0.000) 2.298 3.139 ( -0.000 15.114 0.000) 15.114 3.362 ( -0.000 -5.242 0.000) 5.242 3.651 ( 0.000 7.464 0.000) 7.464 3.791 ( -0.000 8.838 0.000) 8.838 3.813 ( 0.000 -6.869 0.000) 6.869 3.948 ( 0.000 -7.715 0.000) 7.715 4.199 ( -0.000 0.397 0.000) 0.397 4.224 ( 0.000 -2.254 0.000) 2.254 4.715 ( -0.000 0.683 0.000) 0.683 4.765 ( 0.000 -3.468 0.000) 3.468 5.184 ( -0.000 -1.226 0.000) 1.226 5.218 ( 0.000 -3.810 0.000) 3.810 5.688 ( 0.000 1.505 0.000) 1.505 5.699 ( -0.000 0.113 0.000) 0.113 6.115 ( 0.000 2.971 0.000) 2.971 6.164 ( -0.000 -1.754 0.000) 1.754 6.534 ( -0.000 3.279 0.000) 3.279 6.542 ( -0.000 2.882 0.000) 2.882 6.645 ( -0.000 3.314 0.000) 3.314 6.729 ( -0.000 -4.545 0.000) 4.545 6.785 ( -0.000 0.854 0.000) 0.854 6.790 ( 0.000 -0.955 0.000) 0.955 6.835 ( -0.000 -0.549 0.000) 0.549 6.851 ( 0.000 -2.625 0.000) 2.625 7.010 ( -0.000 0.861 0.000) 0.861 7.048 ( 0.000 -2.931 0.000) 2.931 8.120 ( -0.000 1.912 0.000) 1.912 8.162 ( 0.000 -2.259 0.000) 2.259 ======================= Grid point 207 (101/104) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 1.113 16.042 0.178) 16.082 1.091 ( 2.632 4.144 1.616) 5.169 1.154 ( 4.166 -2.364 2.606) 5.453 1.336 ( 1.701 -8.900 0.681) 9.087 1.716 ( 2.334 5.487 0.585) 5.991 1.818 ( -2.066 -0.395 0.015) 2.103 1.823 ( -0.224 -1.287 -0.161) 1.316 1.851 ( 3.498 -5.878 1.182) 6.941 2.127 ( -2.415 5.945 -2.040) 6.734 2.216 ( -0.199 1.350 0.944) 1.659 2.231 ( 0.327 0.807 -2.634) 2.774 2.285 ( 2.270 2.842 1.524) 3.944 2.327 ( -1.010 -6.378 -2.189) 6.819 2.395 ( -0.633 -6.759 1.215) 6.897 2.461 ( -3.383 3.077 1.865) 4.939 2.530 ( -1.547 -3.041 3.377) 4.801 2.842 ( 0.703 1.714 -0.797) 2.016 2.880 ( 1.190 -1.097 0.149) 1.625 2.896 ( 3.908 4.932 -5.140) 8.125 2.978 ( 4.488 -2.715 -5.777) 7.803 3.137 ( 0.460 11.461 1.120) 11.525 3.335 ( -2.203 -6.678 0.372) 7.042 3.638 ( -1.100 9.365 0.772) 9.461 3.783 ( -1.150 3.018 -0.243) 3.239 3.828 ( 0.958 -0.714 0.541) 1.312 3.958 ( 0.972 -6.542 -0.956) 6.682 4.168 ( -2.839 0.212 -0.573) 2.904 4.198 ( -2.826 -2.458 0.830) 3.836 4.726 ( 0.840 0.504 0.605) 1.152 4.776 ( 0.862 -3.749 0.358) 3.863 5.170 ( -1.071 -0.057 -0.252) 1.102 5.222 ( 0.257 -4.772 -0.076) 4.780 5.683 ( -0.445 1.710 0.179) 1.776 5.700 ( 0.093 -0.296 0.220) 0.380 6.132 ( 1.582 3.336 0.169) 3.696 6.189 ( 2.168 -2.082 0.163) 3.011 6.518 ( -1.306 4.957 0.086) 5.127 6.553 ( 0.643 1.711 0.118) 1.832 6.637 ( -0.635 2.385 -0.101) 2.470 6.708 ( -2.160 -4.496 -0.315) 4.998 6.764 ( -0.457 1.647 0.158) 1.717 6.812 ( 0.552 -0.421 -0.019) 0.695 6.819 ( -1.045 -1.006 -0.039) 1.451 6.854 ( -0.077 -3.227 0.116) 3.230 7.013 ( 0.239 1.074 -0.023) 1.101 7.054 ( 0.528 -3.044 0.017) 3.089 8.117 ( -0.316 1.901 0.297) 1.950 8.160 ( -0.215 -2.389 0.110) 2.401 ======================= Grid point 208 (102/104) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.853 14.813 -0.103) 14.838 1.147 ( 1.505 6.803 1.427) 7.112 1.226 ( 1.384 -5.941 2.352) 6.538 1.382 ( 1.566 -12.023 -0.222) 12.126 1.751 ( -1.586 4.239 -0.355) 4.540 1.807 ( 3.859 7.257 1.211) 8.308 1.815 ( 0.156 -1.945 0.256) 1.968 1.946 ( 4.208 -5.496 0.793) 6.968 2.048 ( -4.333 5.115 -2.869) 7.292 2.162 ( -4.467 -2.490 -2.670) 5.770 2.209 ( -1.361 0.302 0.355) 1.439 2.313 ( -0.176 -6.361 -0.026) 6.364 2.376 ( 3.846 1.683 -0.791) 4.272 2.432 ( -0.781 3.142 2.470) 4.072 2.452 ( 6.662 -0.814 1.441) 6.865 2.538 ( 1.836 -1.504 6.167) 6.608 2.853 ( 0.942 3.969 -1.384) 4.307 2.902 ( 0.493 -1.714 -1.279) 2.195 2.949 ( 4.358 2.717 -5.454) 7.492 3.007 ( 1.353 -1.998 -5.026) 5.575 3.201 ( 5.238 4.606 -0.466) 6.991 3.311 ( 0.297 -5.295 0.805) 5.364 3.616 ( -1.794 8.594 1.562) 8.917 3.730 ( -3.891 -0.903 -0.275) 4.004 3.849 ( 0.880 4.808 -0.251) 4.895 3.957 ( -1.171 -2.789 -1.752) 3.496 4.083 ( -4.982 -0.431 -0.903) 5.082 4.121 ( -4.896 -3.568 1.913) 6.353 4.752 ( 1.260 -0.216 0.890) 1.557 4.795 ( 0.531 -4.252 0.542) 4.319 5.150 ( -0.446 1.526 -0.327) 1.623 5.225 ( 0.230 -5.768 -0.305) 5.781 5.677 ( -0.105 2.061 0.329) 2.089 5.706 ( 0.360 -1.046 0.333) 1.155 6.174 ( 2.330 4.019 0.139) 4.648 6.244 ( 2.881 -2.800 0.177) 4.021 6.480 ( -2.389 6.229 0.084) 6.672 6.559 ( -0.558 -0.560 0.140) 0.803 6.624 ( -0.473 1.578 -0.095) 1.650 6.658 ( -1.860 -0.982 -0.349) 2.133 6.764 ( 0.177 0.199 0.075) 0.277 6.791 ( -1.216 0.760 -0.164) 1.444 6.821 ( 0.093 -1.950 0.123) 1.956 6.846 ( -0.620 -3.843 0.174) 3.897 7.019 ( 0.317 1.495 -0.041) 1.529 7.067 ( 0.653 -3.302 0.014) 3.366 8.111 ( -0.397 1.723 0.400) 1.812 8.154 ( -0.432 -2.544 0.118) 2.584 ======================= Grid point 209 (103/104) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.169 11.987 -0.051) 11.988 1.170 ( 0.139 6.418 1.988) 6.720 1.248 ( 0.417 -8.575 0.218) 8.588 1.359 ( -3.155 -13.501 -0.487) 13.873 1.717 ( -0.784 6.148 -2.203) 6.577 1.826 ( 0.890 -4.137 -0.164) 4.235 1.904 ( 2.889 9.263 -0.033) 9.703 1.941 ( -2.756 4.304 0.268) 5.118 2.038 ( 3.178 -3.253 0.843) 4.625 2.074 ( -2.416 -6.306 -2.257) 7.120 2.182 ( -0.958 4.797 0.093) 4.893 2.311 ( 0.132 -7.342 0.220) 7.346 2.393 ( -0.835 2.083 0.789) 2.379 2.423 ( -1.415 0.677 1.740) 2.343 2.611 ( 6.763 3.814 0.700) 7.796 2.632 ( 2.452 3.780 0.151) 4.508 2.875 ( -1.441 -0.778 -1.710) 2.368 2.914 ( 3.693 -4.661 3.483) 6.892 3.031 ( 4.268 2.182 -2.195) 5.273 3.050 ( 7.007 0.312 -2.939) 7.605 3.309 ( 5.177 1.899 -2.187) 5.932 3.352 ( 2.560 -1.953 1.350) 3.491 3.569 ( -3.745 4.245 1.039) 5.755 3.629 ( -5.239 -1.233 -0.213) 5.387 3.852 ( -0.894 5.400 -2.595) 6.057 3.882 ( -4.263 3.079 0.600) 5.293 3.963 ( -5.581 0.237 -0.948) 5.666 4.051 ( -2.333 -6.668 1.573) 7.237 4.780 ( 0.840 -1.711 0.701) 2.031 4.799 ( -0.127 -3.687 0.354) 3.706 5.151 ( 0.387 1.969 -0.144) 2.012 5.230 ( 0.361 -5.769 -0.448) 5.798 5.681 ( 0.222 2.297 0.294) 2.326 5.716 ( 0.421 -1.522 0.253) 1.600 6.224 ( 2.446 4.333 0.035) 4.976 6.293 ( 1.338 -2.267 0.171) 2.638 6.436 ( -1.248 4.799 0.035) 4.959 6.517 ( -3.167 -2.867 -0.092) 4.273 6.624 ( 0.404 2.763 -0.034) 2.793 6.640 ( -0.114 2.014 -0.136) 2.021 6.766 ( -0.182 -0.537 0.065) 0.571 6.771 ( -0.442 0.047 -0.204) 0.490 6.821 ( 0.029 -2.156 0.048) 2.157 6.834 ( -0.614 -3.677 0.232) 3.735 7.024 ( 0.201 1.846 -0.034) 1.857 7.078 ( 0.408 -3.531 0.003) 3.555 8.106 ( -0.254 1.383 0.279) 1.433 8.145 ( -0.369 -2.549 0.053) 2.576 ======================= Grid point 210 (104/104) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -0.000 8.148 0.000) 8.148 1.176 ( -0.000 5.747 0.000) 5.747 1.249 ( -0.000 -12.500 -0.000) 12.500 1.312 ( -0.000 -7.191 0.000) 7.191 1.700 ( -0.000 6.634 0.000) 6.634 1.839 ( -0.000 -7.471 0.000) 7.471 1.889 ( 0.000 6.650 0.000) 6.650 1.956 ( -0.000 7.041 0.000) 7.041 2.036 ( -0.000 -5.263 0.000) 5.263 2.087 ( -0.000 -3.170 0.000) 3.170 2.174 ( -0.000 6.479 0.000) 6.479 2.315 ( -0.000 -7.208 0.000) 7.208 2.385 ( -0.000 1.575 0.000) 1.575 2.405 ( -0.000 -0.381 0.000) 0.381 2.646 ( -0.000 5.852 0.000) 5.852 2.686 ( -0.000 3.703 0.000) 3.703 2.852 ( -0.000 0.248 0.000) 0.248 2.954 ( -0.000 -7.819 0.000) 7.819 3.105 ( -0.000 5.750 -0.000) 5.750 3.158 ( -0.000 -0.207 0.000) 0.207 3.368 ( -0.000 0.310 0.000) 0.310 3.389 ( -0.000 -1.412 0.000) 1.412 3.497 ( -0.000 4.087 0.000) 4.087 3.567 ( -0.000 -3.001 0.000) 3.001 3.794 ( -0.000 4.562 0.000) 4.562 3.856 ( -0.000 1.944 0.000) 1.944 3.899 ( -0.000 3.996 0.000) 3.996 4.032 ( 0.000 -6.959 0.000) 6.959 4.786 ( -0.000 -2.369 0.000) 2.369 4.802 ( -0.000 -3.365 0.000) 3.365 5.155 ( -0.000 1.969 0.000) 1.969 5.233 ( -0.000 -5.568 0.000) 5.568 5.685 ( -0.000 2.376 0.000) 2.376 5.722 ( -0.000 -1.640 0.000) 1.640 6.262 ( -0.000 3.912 0.000) 3.912 6.293 ( -0.000 1.224 0.000) 1.224 6.452 ( 0.000 -0.831 0.000) 0.831 6.453 ( -0.000 -0.746 0.000) 0.746 6.629 ( -0.000 3.139 0.000) 3.139 6.640 ( -0.000 2.608 0.000) 2.608 6.760 ( -0.000 0.440 0.000) 0.440 6.770 ( -0.000 -1.619 0.000) 1.619 6.824 ( -0.000 -2.376 0.000) 2.376 6.826 ( -0.000 -3.404 0.000) 3.404 7.026 ( -0.000 1.980 0.000) 1.980 7.083 ( -0.000 -3.617 0.000) 3.617 8.104 ( -0.000 1.202 0.000) 1.202 8.141 ( -0.000 -2.517 0.000) 2.517 =================== 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 3/16128 10.0 52.081 27.167 34.928 0.000 -8.109 0.000 3/16128 20.0 14.178 10.988 9.301 0.000 -1.876 0.000 3/16128 30.0 6.784 6.375 4.249 0.000 -0.771 0.000 3/16128 40.0 4.361 4.598 2.648 0.000 -0.448 0.000 3/16128 50.0 3.229 3.648 1.921 0.000 -0.312 0.000 3/16128 60.0 2.576 3.045 1.512 0.000 -0.240 0.000 3/16128 70.0 2.150 2.622 1.249 0.000 -0.195 0.000 3/16128 80.0 1.849 2.308 1.067 0.000 -0.165 0.000 3/16128 90.0 1.624 2.064 0.932 0.000 -0.144 0.000 3/16128 100.0 1.450 1.869 0.828 0.000 -0.127 0.000 3/16128 110.0 1.310 1.708 0.746 0.000 -0.114 0.000 3/16128 120.0 1.195 1.574 0.678 0.000 -0.104 0.000 3/16128 130.0 1.099 1.460 0.623 0.000 -0.095 0.000 3/16128 140.0 1.018 1.361 0.576 0.000 -0.088 0.000 3/16128 150.0 0.948 1.275 0.535 0.000 -0.082 0.000 3/16128 160.0 0.887 1.199 0.500 0.000 -0.076 0.000 3/16128 170.0 0.834 1.132 0.470 0.000 -0.071 0.000 3/16128 180.0 0.787 1.072 0.443 0.000 -0.067 0.000 3/16128 190.0 0.745 1.019 0.419 0.000 -0.064 0.000 3/16128 200.0 0.707 0.970 0.397 0.000 -0.060 0.000 3/16128 210.0 0.673 0.926 0.378 0.000 -0.057 0.000 3/16128 220.0 0.642 0.885 0.360 0.000 -0.055 0.000 3/16128 230.0 0.614 0.848 0.344 0.000 -0.052 0.000 3/16128 240.0 0.588 0.814 0.330 0.000 -0.050 0.000 3/16128 250.0 0.565 0.783 0.316 0.000 -0.048 0.000 3/16128 260.0 0.543 0.754 0.304 0.000 -0.046 0.000 3/16128 270.0 0.522 0.727 0.293 0.000 -0.044 0.000 3/16128 280.0 0.504 0.702 0.282 0.000 -0.043 0.000 3/16128 290.0 0.486 0.678 0.272 0.000 -0.041 0.000 3/16128 300.0 0.470 0.657 0.263 0.000 -0.040 0.000 3/16128 310.0 0.455 0.636 0.255 0.000 -0.039 0.000 3/16128 320.0 0.441 0.617 0.247 0.000 -0.037 0.000 3/16128 330.0 0.427 0.599 0.239 0.000 -0.036 0.000 3/16128 340.0 0.415 0.581 0.232 0.000 -0.035 0.000 3/16128 350.0 0.403 0.565 0.225 0.000 -0.034 0.000 3/16128 360.0 0.392 0.550 0.219 0.000 -0.033 0.000 3/16128 370.0 0.381 0.535 0.213 0.000 -0.032 0.000 3/16128 380.0 0.371 0.522 0.207 0.000 -0.031 0.000 3/16128 390.0 0.361 0.509 0.202 0.000 -0.031 0.000 3/16128 400.0 0.352 0.496 0.197 0.000 -0.030 0.000 3/16128 410.0 0.344 0.484 0.192 0.000 -0.029 0.000 3/16128 420.0 0.336 0.473 0.188 0.000 -0.028 0.000 3/16128 430.0 0.328 0.462 0.183 0.000 -0.028 0.000 3/16128 440.0 0.320 0.452 0.179 0.000 -0.027 0.000 3/16128 450.0 0.313 0.442 0.175 0.000 -0.027 0.000 3/16128 460.0 0.306 0.433 0.171 0.000 -0.026 0.000 3/16128 470.0 0.300 0.424 0.168 0.000 -0.025 0.000 3/16128 480.0 0.294 0.415 0.164 0.000 -0.025 0.000 3/16128 490.0 0.288 0.407 0.161 0.000 -0.024 0.000 3/16128 500.0 0.282 0.399 0.157 0.000 -0.024 0.000 3/16128 510.0 0.276 0.391 0.154 0.000 -0.023 0.000 3/16128 520.0 0.271 0.384 0.151 0.000 -0.023 0.000 3/16128 530.0 0.266 0.377 0.149 0.000 -0.022 0.000 3/16128 540.0 0.261 0.370 0.146 0.000 -0.022 0.000 3/16128 550.0 0.256 0.363 0.143 0.000 -0.022 0.000 3/16128 560.0 0.252 0.357 0.141 0.000 -0.021 0.000 3/16128 570.0 0.247 0.351 0.138 0.000 -0.021 0.000 3/16128 580.0 0.243 0.345 0.136 0.000 -0.021 0.000 3/16128 590.0 0.239 0.339 0.133 0.000 -0.020 0.000 3/16128 600.0 0.235 0.333 0.131 0.000 -0.020 0.000 3/16128 610.0 0.231 0.328 0.129 0.000 -0.020 0.000 3/16128 620.0 0.227 0.323 0.127 0.000 -0.019 0.000 3/16128 630.0 0.224 0.318 0.125 0.000 -0.019 0.000 3/16128 640.0 0.220 0.313 0.123 0.000 -0.019 0.000 3/16128 650.0 0.217 0.308 0.121 0.000 -0.018 0.000 3/16128 660.0 0.214 0.304 0.119 0.000 -0.018 0.000 3/16128 670.0 0.211 0.299 0.118 0.000 -0.018 0.000 3/16128 680.0 0.207 0.295 0.116 0.000 -0.018 0.000 3/16128 690.0 0.204 0.291 0.114 0.000 -0.017 0.000 3/16128 700.0 0.202 0.286 0.112 0.000 -0.017 0.000 3/16128 710.0 0.199 0.282 0.111 0.000 -0.017 0.000 3/16128 720.0 0.196 0.279 0.109 0.000 -0.017 0.000 3/16128 730.0 0.193 0.275 0.108 0.000 -0.016 0.000 3/16128 740.0 0.191 0.271 0.106 0.000 -0.016 0.000 3/16128 750.0 0.188 0.268 0.105 0.000 -0.016 0.000 3/16128 760.0 0.186 0.264 0.104 0.000 -0.016 0.000 3/16128 770.0 0.183 0.261 0.102 0.000 -0.015 0.000 3/16128 780.0 0.181 0.257 0.101 0.000 -0.015 0.000 3/16128 790.0 0.179 0.254 0.100 0.000 -0.015 0.000 3/16128 800.0 0.176 0.251 0.098 0.000 -0.015 0.000 3/16128 810.0 0.174 0.248 0.097 0.000 -0.015 0.000 3/16128 820.0 0.172 0.245 0.096 0.000 -0.015 0.000 3/16128 830.0 0.170 0.242 0.095 0.000 -0.014 0.000 3/16128 840.0 0.168 0.239 0.094 0.000 -0.014 0.000 3/16128 850.0 0.166 0.236 0.093 0.000 -0.014 0.000 3/16128 860.0 0.164 0.234 0.092 0.000 -0.014 0.000 3/16128 870.0 0.162 0.231 0.091 0.000 -0.014 0.000 3/16128 880.0 0.160 0.228 0.090 0.000 -0.014 0.000 3/16128 890.0 0.159 0.226 0.089 0.000 -0.013 0.000 3/16128 900.0 0.157 0.223 0.088 0.000 -0.013 0.000 3/16128 910.0 0.155 0.221 0.087 0.000 -0.013 0.000 3/16128 920.0 0.153 0.219 0.086 0.000 -0.013 0.000 3/16128 930.0 0.152 0.216 0.085 0.000 -0.013 0.000 3/16128 940.0 0.150 0.214 0.084 0.000 -0.013 0.000 3/16128 950.0 0.149 0.212 0.083 0.000 -0.013 0.000 3/16128 960.0 0.147 0.210 0.082 0.000 -0.012 0.000 3/16128 970.0 0.146 0.207 0.081 0.000 -0.012 0.000 3/16128 980.0 0.144 0.205 0.080 0.000 -0.012 0.000 3/16128 990.0 0.143 0.203 0.080 0.000 -0.012 0.000 3/16128 1000.0 0.141 0.201 0.079 0.000 -0.012 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m876.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:55:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|