----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:08:48]------------------------- 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: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.337670460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.832858809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.356810279999999 Atomic positions (fractional): *1 F 0.16514718068090 0.43686696777902 0.37911274778601 18.998 2 F 0.33485281931910 0.56313303222098 0.87911274778601 18.998 3 F 0.66514718068090 0.06313303222098 0.12088725221399 18.998 4 F 0.83485281931910 0.93686696777902 0.62088725221399 18.998 *5 F 0.52261115266020 0.25000000000000 0.58833903236870 18.998 6 F 0.97738884733980 0.75000000000000 0.08833903236870 18.998 7 F 0.02261115266020 0.25000000000000 0.91166096763130 18.998 8 F 0.47738884733980 0.75000000000000 0.41166096763130 18.998 9 F 0.16514718068090 0.06313303222098 0.37911274778601 18.998 10 F 0.33485281931910 0.93686696777902 0.87911274778601 18.998 11 F 0.66514718068090 0.43686696777902 0.12088725221399 18.998 12 F 0.83485281931910 0.56313303222098 0.62088725221399 18.998 *13 Y 0.63097876050419 0.75000000000000 0.93805021878595 88.906 14 Y 0.86902123949581 0.25000000000000 0.43805021878595 88.906 15 Y 0.13097876050419 0.75000000000000 0.56194978121405 88.906 16 Y 0.36902123949581 0.25000000000000 0.06194978121405 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.337670460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.832858809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.356810279999999 Atomic positions (fractional): *1 F 0.16514718068090 0.43686696777902 0.37911274778601 18.998 > 1 2 F 0.33485281931910 0.56313303222098 0.87911274778601 18.998 > 2 3 F 0.66514718068090 0.06313303222098 0.12088725221399 18.998 > 3 4 F 0.83485281931910 0.93686696777902 0.62088725221399 18.998 > 4 *5 F 0.52261115266020 0.25000000000000 0.58833903236870 18.998 > 5 6 F 0.97738884733980 0.75000000000000 0.08833903236870 18.998 > 6 7 F 0.02261115266020 0.25000000000000 0.91166096763130 18.998 > 7 8 F 0.47738884733980 0.75000000000000 0.41166096763130 18.998 > 8 9 F 0.16514718068090 0.06313303222098 0.37911274778601 18.998 > 9 10 F 0.33485281931910 0.93686696777902 0.87911274778601 18.998 > 10 11 F 0.66514718068090 0.43686696777902 0.12088725221399 18.998 > 11 12 F 0.83485281931910 0.56313303222098 0.62088725221399 18.998 > 12 *13 Y 0.63097876050419 0.75000000000000 0.93805021878595 88.906 > 13 14 Y 0.86902123949581 0.25000000000000 0.43805021878595 88.906 > 14 15 Y 0.13097876050419 0.75000000000000 0.56194978121405 88.906 > 15 16 Y 0.36902123949581 0.25000000000000 0.06194978121405 88.906 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.675340920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.665717619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.713620559999997 Atomic positions (fractional): *1 F 0.08257359034045 0.21843348388951 0.18955637389300 18.998 > 1 2 F 0.58257359034045 0.21843348388951 0.18955637389300 18.998 > 1 3 F 0.08257359034045 0.71843348388951 0.18955637389300 18.998 > 1 4 F 0.58257359034045 0.71843348388951 0.18955637389300 18.998 > 1 5 F 0.08257359034045 0.21843348388951 0.68955637389300 18.998 > 1 6 F 0.58257359034045 0.21843348388951 0.68955637389300 18.998 > 1 7 F 0.08257359034045 0.71843348388951 0.68955637389300 18.998 > 1 8 F 0.58257359034045 0.71843348388951 0.68955637389300 18.998 > 1 9 F 0.16742640965955 0.28156651611049 0.43955637389300 18.998 > 2 10 F 0.66742640965955 0.28156651611049 0.43955637389300 18.998 > 2 11 F 0.16742640965955 0.78156651611049 0.43955637389300 18.998 > 2 12 F 0.66742640965955 0.78156651611049 0.43955637389300 18.998 > 2 13 F 0.16742640965955 0.28156651611049 0.93955637389300 18.998 > 2 14 F 0.66742640965955 0.28156651611049 0.93955637389300 18.998 > 2 15 F 0.16742640965955 0.78156651611049 0.93955637389300 18.998 > 2 16 F 0.66742640965955 0.78156651611049 0.93955637389300 18.998 > 2 17 F 0.33257359034045 0.03156651611049 0.06044362610700 18.998 > 3 18 F 0.83257359034045 0.03156651611049 0.06044362610700 18.998 > 3 19 F 0.33257359034045 0.53156651611049 0.06044362610700 18.998 > 3 20 F 0.83257359034045 0.53156651611049 0.06044362610700 18.998 > 3 21 F 0.33257359034045 0.03156651611049 0.56044362610700 18.998 > 3 22 F 0.83257359034045 0.03156651611049 0.56044362610700 18.998 > 3 23 F 0.33257359034045 0.53156651611049 0.56044362610700 18.998 > 3 24 F 0.83257359034045 0.53156651611049 0.56044362610700 18.998 > 3 25 F 0.41742640965955 0.46843348388951 0.31044362610700 18.998 > 4 26 F 0.91742640965955 0.46843348388951 0.31044362610700 18.998 > 4 27 F 0.41742640965955 0.96843348388951 0.31044362610700 18.998 > 4 28 F 0.91742640965955 0.96843348388951 0.31044362610700 18.998 > 4 29 F 0.41742640965955 0.46843348388951 0.81044362610700 18.998 > 4 30 F 0.91742640965955 0.46843348388951 0.81044362610700 18.998 > 4 31 F 0.41742640965955 0.96843348388951 0.81044362610700 18.998 > 4 32 F 0.91742640965955 0.96843348388951 0.81044362610700 18.998 > 4 *33 F 0.26130557633010 0.12500000000000 0.29416951618435 18.998 > 5 34 F 0.76130557633010 0.12500000000000 0.29416951618435 18.998 > 5 35 F 0.26130557633010 0.62500000000000 0.29416951618435 18.998 > 5 36 F 0.76130557633010 0.62500000000000 0.29416951618435 18.998 > 5 37 F 0.26130557633010 0.12500000000000 0.79416951618435 18.998 > 5 38 F 0.76130557633010 0.12500000000000 0.79416951618435 18.998 > 5 39 F 0.26130557633010 0.62500000000000 0.79416951618435 18.998 > 5 40 F 0.76130557633010 0.62500000000000 0.79416951618435 18.998 > 5 41 F 0.48869442366990 0.37500000000000 0.04416951618435 18.998 > 6 42 F 0.98869442366990 0.37500000000000 0.04416951618435 18.998 > 6 43 F 0.48869442366990 0.87500000000000 0.04416951618435 18.998 > 6 44 F 0.98869442366990 0.87500000000000 0.04416951618435 18.998 > 6 45 F 0.48869442366990 0.37500000000000 0.54416951618435 18.998 > 6 46 F 0.98869442366990 0.37500000000000 0.54416951618435 18.998 > 6 47 F 0.48869442366990 0.87500000000000 0.54416951618435 18.998 > 6 48 F 0.98869442366990 0.87500000000000 0.54416951618435 18.998 > 6 49 F 0.01130557633010 0.12500000000000 0.45583048381565 18.998 > 7 50 F 0.51130557633010 0.12500000000000 0.45583048381565 18.998 > 7 51 F 0.01130557633010 0.62500000000000 0.45583048381565 18.998 > 7 52 F 0.51130557633010 0.62500000000000 0.45583048381565 18.998 > 7 53 F 0.01130557633010 0.12500000000000 0.95583048381565 18.998 > 7 54 F 0.51130557633010 0.12500000000000 0.95583048381565 18.998 > 7 55 F 0.01130557633010 0.62500000000000 0.95583048381565 18.998 > 7 56 F 0.51130557633010 0.62500000000000 0.95583048381565 18.998 > 7 57 F 0.23869442366990 0.37500000000000 0.20583048381565 18.998 > 8 58 F 0.73869442366990 0.37500000000000 0.20583048381565 18.998 > 8 59 F 0.23869442366990 0.87500000000000 0.20583048381565 18.998 > 8 60 F 0.73869442366990 0.87500000000000 0.20583048381565 18.998 > 8 61 F 0.23869442366990 0.37500000000000 0.70583048381565 18.998 > 8 62 F 0.73869442366990 0.37500000000000 0.70583048381565 18.998 > 8 63 F 0.23869442366990 0.87500000000000 0.70583048381565 18.998 > 8 64 F 0.73869442366990 0.87500000000000 0.70583048381565 18.998 > 8 65 F 0.08257359034045 0.03156651611049 0.18955637389300 18.998 > 9 66 F 0.58257359034045 0.03156651611049 0.18955637389300 18.998 > 9 67 F 0.08257359034045 0.53156651611049 0.18955637389300 18.998 > 9 68 F 0.58257359034045 0.53156651611049 0.18955637389300 18.998 > 9 69 F 0.08257359034045 0.03156651611049 0.68955637389300 18.998 > 9 70 F 0.58257359034045 0.03156651611049 0.68955637389300 18.998 > 9 71 F 0.08257359034045 0.53156651611049 0.68955637389300 18.998 > 9 72 F 0.58257359034045 0.53156651611049 0.68955637389300 18.998 > 9 73 F 0.16742640965955 0.46843348388951 0.43955637389300 18.998 > 10 74 F 0.66742640965955 0.46843348388951 0.43955637389300 18.998 > 10 75 F 0.16742640965955 0.96843348388951 0.43955637389300 18.998 > 10 76 F 0.66742640965955 0.96843348388951 0.43955637389300 18.998 > 10 77 F 0.16742640965955 0.46843348388951 0.93955637389300 18.998 > 10 78 F 0.66742640965955 0.46843348388951 0.93955637389300 18.998 > 10 79 F 0.16742640965955 0.96843348388951 0.93955637389300 18.998 > 10 80 F 0.66742640965955 0.96843348388951 0.93955637389300 18.998 > 10 81 F 0.33257359034045 0.21843348388951 0.06044362610700 18.998 > 11 82 F 0.83257359034045 0.21843348388951 0.06044362610700 18.998 > 11 83 F 0.33257359034045 0.71843348388951 0.06044362610700 18.998 > 11 84 F 0.83257359034045 0.71843348388951 0.06044362610700 18.998 > 11 85 F 0.33257359034045 0.21843348388951 0.56044362610700 18.998 > 11 86 F 0.83257359034045 0.21843348388951 0.56044362610700 18.998 > 11 87 F 0.33257359034045 0.71843348388951 0.56044362610700 18.998 > 11 88 F 0.83257359034045 0.71843348388951 0.56044362610700 18.998 > 11 89 F 0.41742640965955 0.28156651611049 0.31044362610700 18.998 > 12 90 F 0.91742640965955 0.28156651611049 0.31044362610700 18.998 > 12 91 F 0.41742640965955 0.78156651611049 0.31044362610700 18.998 > 12 92 F 0.91742640965955 0.78156651611049 0.31044362610700 18.998 > 12 93 F 0.41742640965955 0.28156651611049 0.81044362610700 18.998 > 12 94 F 0.91742640965955 0.28156651611049 0.81044362610700 18.998 > 12 95 F 0.41742640965955 0.78156651611049 0.81044362610700 18.998 > 12 96 F 0.91742640965955 0.78156651611049 0.81044362610700 18.998 > 12 *97 Y 0.31548938025209 0.37500000000000 0.46902510939297 88.906 > 13 98 Y 0.81548938025210 0.37500000000000 0.46902510939297 88.906 > 13 99 Y 0.31548938025209 0.87500000000000 0.46902510939297 88.906 > 13 100 Y 0.81548938025210 0.87500000000000 0.46902510939297 88.906 > 13 101 Y 0.31548938025209 0.37500000000000 0.96902510939297 88.906 > 13 102 Y 0.81548938025210 0.37500000000000 0.96902510939297 88.906 > 13 103 Y 0.31548938025209 0.87500000000000 0.96902510939297 88.906 > 13 104 Y 0.81548938025210 0.87500000000000 0.96902510939297 88.906 > 13 105 Y 0.43451061974791 0.12500000000000 0.21902510939297 88.906 > 14 106 Y 0.93451061974790 0.12500000000000 0.21902510939297 88.906 > 14 107 Y 0.43451061974791 0.62500000000000 0.21902510939297 88.906 > 14 108 Y 0.93451061974790 0.62500000000000 0.21902510939297 88.906 > 14 109 Y 0.43451061974791 0.12500000000000 0.71902510939297 88.906 > 14 110 Y 0.93451061974790 0.12500000000000 0.71902510939297 88.906 > 14 111 Y 0.43451061974791 0.62500000000000 0.71902510939297 88.906 > 14 112 Y 0.93451061974790 0.62500000000000 0.71902510939297 88.906 > 14 113 Y 0.06548938025209 0.37500000000000 0.28097489060703 88.906 > 15 114 Y 0.56548938025210 0.37500000000000 0.28097489060703 88.906 > 15 115 Y 0.06548938025209 0.87500000000000 0.28097489060703 88.906 > 15 116 Y 0.56548938025210 0.87500000000000 0.28097489060703 88.906 > 15 117 Y 0.06548938025209 0.37500000000000 0.78097489060703 88.906 > 15 118 Y 0.56548938025210 0.37500000000000 0.78097489060703 88.906 > 15 119 Y 0.06548938025209 0.87500000000000 0.78097489060703 88.906 > 15 120 Y 0.56548938025210 0.87500000000000 0.78097489060703 88.906 > 15 121 Y 0.18451061974791 0.12500000000000 0.03097489060703 88.906 > 16 122 Y 0.68451061974790 0.12500000000000 0.03097489060703 88.906 > 16 123 Y 0.18451061974791 0.62500000000000 0.03097489060703 88.906 > 16 124 Y 0.68451061974790 0.62500000000000 0.03097489060703 88.906 > 16 125 Y 0.18451061974791 0.12500000000000 0.53097489060703 88.906 > 16 126 Y 0.68451061974790 0.12500000000000 0.53097489060703 88.906 > 16 127 Y 0.18451061974791 0.62500000000000 0.53097489060703 88.906 > 16 128 Y 0.68451061974790 0.62500000000000 0.53097489060703 88.906 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8114241 0.0000000 0.0000000 0.0000000 2.7379314 0.0000000 0.0000000 0.0000000 2.6706353 -------------------------- Born effective charges -------------------------- 1 F -1.2639890 -0.0221063 0.2441782 -0.0178154 -1.5579195 -0.3270931 0.2730451 -0.3321646 -1.0089367 2 F -1.2639890 -0.0221063 -0.2441782 -0.0178154 -1.5579195 0.3270931 -0.2730451 0.3321646 -1.0089367 3 F -1.2639890 0.0221063 -0.2441782 0.0178154 -1.5579195 -0.3270931 -0.2730451 -0.3321646 -1.0089367 4 F -1.2639890 0.0221063 0.2441782 0.0178154 -1.5579195 0.3270931 0.2730451 0.3321646 -1.0089367 5 F -1.4416081 0.0000000 0.2467499 0.0000000 -0.7312337 0.0000000 0.2661776 0.0000000 -1.6224376 6 F -1.4416081 0.0000000 -0.2467499 0.0000000 -0.7312337 0.0000000 -0.2661776 0.0000000 -1.6224376 7 F -1.4416081 0.0000000 -0.2467499 0.0000000 -0.7312337 0.0000000 -0.2661776 0.0000000 -1.6224376 8 F -1.4416081 0.0000000 0.2467499 0.0000000 -0.7312337 0.0000000 0.2661776 0.0000000 -1.6224376 9 F -1.2639890 0.0221063 0.2441782 0.0178154 -1.5579195 0.3270931 0.2730451 0.3321646 -1.0089367 10 F -1.2639890 0.0221063 -0.2441782 0.0178154 -1.5579195 -0.3270931 -0.2730451 -0.3321646 -1.0089367 11 F -1.2639890 -0.0221063 -0.2441782 -0.0178154 -1.5579195 0.3270931 -0.2730451 0.3321646 -1.0089367 12 F -1.2639890 -0.0221063 0.2441782 -0.0178154 -1.5579195 -0.3270931 0.2730451 -0.3321646 -1.0089367 13 Y 3.9695860 0.0000000 -0.2619107 0.0000000 3.8470727 0.0000000 -0.1341181 0.0000000 3.6403111 14 Y 3.9695860 0.0000000 0.2619107 0.0000000 3.8470727 0.0000000 0.1341181 0.0000000 3.6403111 15 Y 3.9695860 0.0000000 0.2619107 0.0000000 3.8470727 0.0000000 0.1341181 0.0000000 3.6403111 16 Y 3.9695860 0.0000000 -0.2619107 0.0000000 3.8470727 0.0000000 -0.1341181 0.0000000 3.6403111 ---------------------------------------------------------------------------- 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: 1240 Number of blocks in projector: 1240 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1240, 1221), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 240 - Time: 1.789 Solver_block: 200 / 240 - Time: 1.747 Solver_block: 240 / 240 - Time: 0.771 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.558 --------------------------------- 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: 1240 Number of blocks in projector: 1240 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1240, 1221), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:09:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:09:12]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.337670460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.832858809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.356810279999999 Atomic positions (fractional): 1 F 0.16514718068090 0.43686696777902 0.37911274778601 18.998 2 F 0.33485281931910 0.56313303222098 0.87911274778601 18.998 3 F 0.66514718068090 0.06313303222098 0.12088725221399 18.998 4 F 0.83485281931910 0.93686696777902 0.62088725221399 18.998 5 F 0.52261115266020 0.25000000000000 0.58833903236870 18.998 6 F 0.97738884733980 0.75000000000000 0.08833903236870 18.998 7 F 0.02261115266020 0.25000000000000 0.91166096763130 18.998 8 F 0.47738884733980 0.75000000000000 0.41166096763130 18.998 9 F 0.16514718068090 0.06313303222098 0.37911274778601 18.998 10 F 0.33485281931910 0.93686696777902 0.87911274778601 18.998 11 F 0.66514718068090 0.43686696777902 0.12088725221399 18.998 12 F 0.83485281931910 0.56313303222098 0.62088725221399 18.998 13 Y 0.63097876050419 0.75000000000000 0.93805021878595 88.906 14 Y 0.86902123949581 0.25000000000000 0.43805021878595 88.906 15 Y 0.13097876050419 0.75000000000000 0.56194978121405 88.906 16 Y 0.36902123949581 0.25000000000000 0.06194978121405 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.675340920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.665717619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.713620559999997 Atomic positions (fractional): 1 F 0.08257359034045 0.21843348388951 0.18955637389300 18.998 > 1 2 F 0.58257359034045 0.21843348388951 0.18955637389300 18.998 > 1 3 F 0.08257359034045 0.71843348388951 0.18955637389300 18.998 > 1 4 F 0.58257359034045 0.71843348388951 0.18955637389300 18.998 > 1 5 F 0.08257359034045 0.21843348388951 0.68955637389300 18.998 > 1 6 F 0.58257359034045 0.21843348388951 0.68955637389300 18.998 > 1 7 F 0.08257359034045 0.71843348388951 0.68955637389300 18.998 > 1 8 F 0.58257359034045 0.71843348388951 0.68955637389300 18.998 > 1 9 F 0.16742640965955 0.28156651611049 0.43955637389300 18.998 > 9 10 F 0.66742640965955 0.28156651611049 0.43955637389300 18.998 > 9 11 F 0.16742640965955 0.78156651611049 0.43955637389300 18.998 > 9 12 F 0.66742640965955 0.78156651611049 0.43955637389300 18.998 > 9 13 F 0.16742640965955 0.28156651611049 0.93955637389300 18.998 > 9 14 F 0.66742640965955 0.28156651611049 0.93955637389300 18.998 > 9 15 F 0.16742640965955 0.78156651611049 0.93955637389300 18.998 > 9 16 F 0.66742640965955 0.78156651611049 0.93955637389300 18.998 > 9 17 F 0.33257359034045 0.03156651611049 0.06044362610700 18.998 > 17 18 F 0.83257359034045 0.03156651611049 0.06044362610700 18.998 > 17 19 F 0.33257359034045 0.53156651611049 0.06044362610700 18.998 > 17 20 F 0.83257359034045 0.53156651611049 0.06044362610700 18.998 > 17 21 F 0.33257359034045 0.03156651611049 0.56044362610700 18.998 > 17 22 F 0.83257359034045 0.03156651611049 0.56044362610700 18.998 > 17 23 F 0.33257359034045 0.53156651611049 0.56044362610700 18.998 > 17 24 F 0.83257359034045 0.53156651611049 0.56044362610700 18.998 > 17 25 F 0.41742640965955 0.46843348388951 0.31044362610700 18.998 > 25 26 F 0.91742640965955 0.46843348388951 0.31044362610700 18.998 > 25 27 F 0.41742640965955 0.96843348388951 0.31044362610700 18.998 > 25 28 F 0.91742640965955 0.96843348388951 0.31044362610700 18.998 > 25 29 F 0.41742640965955 0.46843348388951 0.81044362610700 18.998 > 25 30 F 0.91742640965955 0.46843348388951 0.81044362610700 18.998 > 25 31 F 0.41742640965955 0.96843348388951 0.81044362610700 18.998 > 25 32 F 0.91742640965955 0.96843348388951 0.81044362610700 18.998 > 25 33 F 0.26130557633010 0.12500000000000 0.29416951618435 18.998 > 33 34 F 0.76130557633010 0.12500000000000 0.29416951618435 18.998 > 33 35 F 0.26130557633010 0.62500000000000 0.29416951618435 18.998 > 33 36 F 0.76130557633010 0.62500000000000 0.29416951618435 18.998 > 33 37 F 0.26130557633010 0.12500000000000 0.79416951618435 18.998 > 33 38 F 0.76130557633010 0.12500000000000 0.79416951618435 18.998 > 33 39 F 0.26130557633010 0.62500000000000 0.79416951618435 18.998 > 33 40 F 0.76130557633010 0.62500000000000 0.79416951618435 18.998 > 33 41 F 0.48869442366990 0.37500000000000 0.04416951618435 18.998 > 41 42 F 0.98869442366990 0.37500000000000 0.04416951618435 18.998 > 41 43 F 0.48869442366990 0.87500000000000 0.04416951618435 18.998 > 41 44 F 0.98869442366990 0.87500000000000 0.04416951618435 18.998 > 41 45 F 0.48869442366990 0.37500000000000 0.54416951618435 18.998 > 41 46 F 0.98869442366990 0.37500000000000 0.54416951618435 18.998 > 41 47 F 0.48869442366990 0.87500000000000 0.54416951618435 18.998 > 41 48 F 0.98869442366990 0.87500000000000 0.54416951618435 18.998 > 41 49 F 0.01130557633010 0.12500000000000 0.45583048381565 18.998 > 49 50 F 0.51130557633010 0.12500000000000 0.45583048381565 18.998 > 49 51 F 0.01130557633010 0.62500000000000 0.45583048381565 18.998 > 49 52 F 0.51130557633010 0.62500000000000 0.45583048381565 18.998 > 49 53 F 0.01130557633010 0.12500000000000 0.95583048381565 18.998 > 49 54 F 0.51130557633010 0.12500000000000 0.95583048381565 18.998 > 49 55 F 0.01130557633010 0.62500000000000 0.95583048381565 18.998 > 49 56 F 0.51130557633010 0.62500000000000 0.95583048381565 18.998 > 49 57 F 0.23869442366990 0.37500000000000 0.20583048381565 18.998 > 57 58 F 0.73869442366990 0.37500000000000 0.20583048381565 18.998 > 57 59 F 0.23869442366990 0.87500000000000 0.20583048381565 18.998 > 57 60 F 0.73869442366990 0.87500000000000 0.20583048381565 18.998 > 57 61 F 0.23869442366990 0.37500000000000 0.70583048381565 18.998 > 57 62 F 0.73869442366990 0.37500000000000 0.70583048381565 18.998 > 57 63 F 0.23869442366990 0.87500000000000 0.70583048381565 18.998 > 57 64 F 0.73869442366990 0.87500000000000 0.70583048381565 18.998 > 57 65 F 0.08257359034045 0.03156651611049 0.18955637389300 18.998 > 65 66 F 0.58257359034045 0.03156651611049 0.18955637389300 18.998 > 65 67 F 0.08257359034045 0.53156651611049 0.18955637389300 18.998 > 65 68 F 0.58257359034045 0.53156651611049 0.18955637389300 18.998 > 65 69 F 0.08257359034045 0.03156651611049 0.68955637389300 18.998 > 65 70 F 0.58257359034045 0.03156651611049 0.68955637389300 18.998 > 65 71 F 0.08257359034045 0.53156651611049 0.68955637389300 18.998 > 65 72 F 0.58257359034045 0.53156651611049 0.68955637389300 18.998 > 65 73 F 0.16742640965955 0.46843348388951 0.43955637389300 18.998 > 73 74 F 0.66742640965955 0.46843348388951 0.43955637389300 18.998 > 73 75 F 0.16742640965955 0.96843348388951 0.43955637389300 18.998 > 73 76 F 0.66742640965955 0.96843348388951 0.43955637389300 18.998 > 73 77 F 0.16742640965955 0.46843348388951 0.93955637389300 18.998 > 73 78 F 0.66742640965955 0.46843348388951 0.93955637389300 18.998 > 73 79 F 0.16742640965955 0.96843348388951 0.93955637389300 18.998 > 73 80 F 0.66742640965955 0.96843348388951 0.93955637389300 18.998 > 73 81 F 0.33257359034045 0.21843348388951 0.06044362610700 18.998 > 81 82 F 0.83257359034045 0.21843348388951 0.06044362610700 18.998 > 81 83 F 0.33257359034045 0.71843348388951 0.06044362610700 18.998 > 81 84 F 0.83257359034045 0.71843348388951 0.06044362610700 18.998 > 81 85 F 0.33257359034045 0.21843348388951 0.56044362610700 18.998 > 81 86 F 0.83257359034045 0.21843348388951 0.56044362610700 18.998 > 81 87 F 0.33257359034045 0.71843348388951 0.56044362610700 18.998 > 81 88 F 0.83257359034045 0.71843348388951 0.56044362610700 18.998 > 81 89 F 0.41742640965955 0.28156651611049 0.31044362610700 18.998 > 89 90 F 0.91742640965955 0.28156651611049 0.31044362610700 18.998 > 89 91 F 0.41742640965955 0.78156651611049 0.31044362610700 18.998 > 89 92 F 0.91742640965955 0.78156651611049 0.31044362610700 18.998 > 89 93 F 0.41742640965955 0.28156651611049 0.81044362610700 18.998 > 89 94 F 0.91742640965955 0.28156651611049 0.81044362610700 18.998 > 89 95 F 0.41742640965955 0.78156651611049 0.81044362610700 18.998 > 89 96 F 0.91742640965955 0.78156651611049 0.81044362610700 18.998 > 89 97 Y 0.31548938025209 0.37500000000000 0.46902510939297 88.906 > 97 98 Y 0.81548938025210 0.37500000000000 0.46902510939297 88.906 > 97 99 Y 0.31548938025209 0.87500000000000 0.46902510939297 88.906 > 97 100 Y 0.81548938025210 0.87500000000000 0.46902510939297 88.906 > 97 101 Y 0.31548938025209 0.37500000000000 0.96902510939297 88.906 > 97 102 Y 0.81548938025210 0.37500000000000 0.96902510939297 88.906 > 97 103 Y 0.31548938025209 0.87500000000000 0.96902510939297 88.906 > 97 104 Y 0.81548938025210 0.87500000000000 0.96902510939297 88.906 > 97 105 Y 0.43451061974791 0.12500000000000 0.21902510939297 88.906 > 105 106 Y 0.93451061974790 0.12500000000000 0.21902510939297 88.906 > 105 107 Y 0.43451061974791 0.62500000000000 0.21902510939297 88.906 > 105 108 Y 0.93451061974790 0.62500000000000 0.21902510939297 88.906 > 105 109 Y 0.43451061974791 0.12500000000000 0.71902510939297 88.906 > 105 110 Y 0.93451061974790 0.12500000000000 0.71902510939297 88.906 > 105 111 Y 0.43451061974791 0.62500000000000 0.71902510939297 88.906 > 105 112 Y 0.93451061974790 0.62500000000000 0.71902510939297 88.906 > 105 113 Y 0.06548938025209 0.37500000000000 0.28097489060703 88.906 > 113 114 Y 0.56548938025210 0.37500000000000 0.28097489060703 88.906 > 113 115 Y 0.06548938025209 0.87500000000000 0.28097489060703 88.906 > 113 116 Y 0.56548938025210 0.87500000000000 0.28097489060703 88.906 > 113 117 Y 0.06548938025209 0.37500000000000 0.78097489060703 88.906 > 113 118 Y 0.56548938025210 0.37500000000000 0.78097489060703 88.906 > 113 119 Y 0.06548938025209 0.87500000000000 0.78097489060703 88.906 > 113 120 Y 0.56548938025210 0.87500000000000 0.78097489060703 88.906 > 113 121 Y 0.18451061974791 0.12500000000000 0.03097489060703 88.906 > 121 122 Y 0.68451061974790 0.12500000000000 0.03097489060703 88.906 > 121 123 Y 0.18451061974791 0.62500000000000 0.03097489060703 88.906 > 121 124 Y 0.68451061974790 0.62500000000000 0.03097489060703 88.906 > 121 125 Y 0.18451061974791 0.12500000000000 0.53097489060703 88.906 > 121 126 Y 0.68451061974790 0.12500000000000 0.53097489060703 88.906 > 121 127 Y 0.18451061974791 0.62500000000000 0.53097489060703 88.906 > 121 128 Y 0.68451061974790 0.62500000000000 0.53097489060703 88.906 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8114241 0.0000000 0.0000000 0.0000000 2.7379314 0.0000000 0.0000000 0.0000000 2.6706353 -------------------------- Born effective charges -------------------------- 1 F -1.2639890 -0.0221063 0.2441782 -0.0178154 -1.5579195 -0.3270931 0.2730451 -0.3321646 -1.0089367 2 F -1.2639890 -0.0221063 -0.2441782 -0.0178154 -1.5579195 0.3270931 -0.2730451 0.3321646 -1.0089367 3 F -1.2639890 0.0221063 -0.2441782 0.0178154 -1.5579195 -0.3270931 -0.2730451 -0.3321646 -1.0089367 4 F -1.2639890 0.0221063 0.2441782 0.0178154 -1.5579195 0.3270931 0.2730451 0.3321646 -1.0089367 5 F -1.4416081 0.0000000 0.2467499 0.0000000 -0.7312337 0.0000000 0.2661776 0.0000000 -1.6224376 6 F -1.4416081 0.0000000 -0.2467499 0.0000000 -0.7312337 0.0000000 -0.2661776 0.0000000 -1.6224376 7 F -1.4416081 0.0000000 -0.2467499 0.0000000 -0.7312337 0.0000000 -0.2661776 0.0000000 -1.6224376 8 F -1.4416081 0.0000000 0.2467499 0.0000000 -0.7312337 0.0000000 0.2661776 0.0000000 -1.6224376 9 F -1.2639890 0.0221063 0.2441782 0.0178154 -1.5579195 0.3270931 0.2730451 0.3321646 -1.0089367 10 F -1.2639890 0.0221063 -0.2441782 0.0178154 -1.5579195 -0.3270931 -0.2730451 -0.3321646 -1.0089367 11 F -1.2639890 -0.0221063 -0.2441782 -0.0178154 -1.5579195 0.3270931 -0.2730451 0.3321646 -1.0089367 12 F -1.2639890 -0.0221063 0.2441782 -0.0178154 -1.5579195 -0.3270931 0.2730451 -0.3321646 -1.0089367 13 Y 3.9695860 0.0000000 -0.2619107 0.0000000 3.8470727 0.0000000 -0.1341181 0.0000000 3.6403111 14 Y 3.9695860 0.0000000 0.2619107 0.0000000 3.8470727 0.0000000 0.1341181 0.0000000 3.6403111 15 Y 3.9695860 0.0000000 0.2619107 0.0000000 3.8470727 0.0000000 0.1341181 0.0000000 3.6403111 16 Y 3.9695860 0.0000000 -0.2619107 0.0000000 3.8470727 0.0000000 -0.1341181 0.0000000 3.6403111 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000015 (xzx) 0.00000015 (xzx) 0.00000015 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:09:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:09:28]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.337670460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.832858809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.356810279999999 Atomic positions (fractional): 1 F 0.16514718068090 0.43686696777902 0.37911274778601 18.998 2 F 0.33485281931910 0.56313303222098 0.87911274778601 18.998 3 F 0.66514718068090 0.06313303222098 0.12088725221399 18.998 4 F 0.83485281931910 0.93686696777902 0.62088725221399 18.998 5 F 0.52261115266020 0.25000000000000 0.58833903236870 18.998 6 F 0.97738884733980 0.75000000000000 0.08833903236870 18.998 7 F 0.02261115266020 0.25000000000000 0.91166096763130 18.998 8 F 0.47738884733980 0.75000000000000 0.41166096763130 18.998 9 F 0.16514718068090 0.06313303222098 0.37911274778601 18.998 10 F 0.33485281931910 0.93686696777902 0.87911274778601 18.998 11 F 0.66514718068090 0.43686696777902 0.12088725221399 18.998 12 F 0.83485281931910 0.56313303222098 0.62088725221399 18.998 13 Y 0.63097876050419 0.75000000000000 0.93805021878595 88.906 14 Y 0.86902123949581 0.25000000000000 0.43805021878595 88.906 15 Y 0.13097876050419 0.75000000000000 0.56194978121405 88.906 16 Y 0.36902123949581 0.25000000000000 0.06194978121405 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.675340920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.665717619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.713620559999997 Atomic positions (fractional): 1 F 0.08257359034045 0.21843348388951 0.18955637389300 18.998 > 1 2 F 0.58257359034045 0.21843348388951 0.18955637389300 18.998 > 1 3 F 0.08257359034045 0.71843348388951 0.18955637389300 18.998 > 1 4 F 0.58257359034045 0.71843348388951 0.18955637389300 18.998 > 1 5 F 0.08257359034045 0.21843348388951 0.68955637389300 18.998 > 1 6 F 0.58257359034045 0.21843348388951 0.68955637389300 18.998 > 1 7 F 0.08257359034045 0.71843348388951 0.68955637389300 18.998 > 1 8 F 0.58257359034045 0.71843348388951 0.68955637389300 18.998 > 1 9 F 0.16742640965955 0.28156651611049 0.43955637389300 18.998 > 9 10 F 0.66742640965955 0.28156651611049 0.43955637389300 18.998 > 9 11 F 0.16742640965955 0.78156651611049 0.43955637389300 18.998 > 9 12 F 0.66742640965955 0.78156651611049 0.43955637389300 18.998 > 9 13 F 0.16742640965955 0.28156651611049 0.93955637389300 18.998 > 9 14 F 0.66742640965955 0.28156651611049 0.93955637389300 18.998 > 9 15 F 0.16742640965955 0.78156651611049 0.93955637389300 18.998 > 9 16 F 0.66742640965955 0.78156651611049 0.93955637389300 18.998 > 9 17 F 0.33257359034045 0.03156651611049 0.06044362610700 18.998 > 17 18 F 0.83257359034045 0.03156651611049 0.06044362610700 18.998 > 17 19 F 0.33257359034045 0.53156651611049 0.06044362610700 18.998 > 17 20 F 0.83257359034045 0.53156651611049 0.06044362610700 18.998 > 17 21 F 0.33257359034045 0.03156651611049 0.56044362610700 18.998 > 17 22 F 0.83257359034045 0.03156651611049 0.56044362610700 18.998 > 17 23 F 0.33257359034045 0.53156651611049 0.56044362610700 18.998 > 17 24 F 0.83257359034045 0.53156651611049 0.56044362610700 18.998 > 17 25 F 0.41742640965955 0.46843348388951 0.31044362610700 18.998 > 25 26 F 0.91742640965955 0.46843348388951 0.31044362610700 18.998 > 25 27 F 0.41742640965955 0.96843348388951 0.31044362610700 18.998 > 25 28 F 0.91742640965955 0.96843348388951 0.31044362610700 18.998 > 25 29 F 0.41742640965955 0.46843348388951 0.81044362610700 18.998 > 25 30 F 0.91742640965955 0.46843348388951 0.81044362610700 18.998 > 25 31 F 0.41742640965955 0.96843348388951 0.81044362610700 18.998 > 25 32 F 0.91742640965955 0.96843348388951 0.81044362610700 18.998 > 25 33 F 0.26130557633010 0.12500000000000 0.29416951618435 18.998 > 33 34 F 0.76130557633010 0.12500000000000 0.29416951618435 18.998 > 33 35 F 0.26130557633010 0.62500000000000 0.29416951618435 18.998 > 33 36 F 0.76130557633010 0.62500000000000 0.29416951618435 18.998 > 33 37 F 0.26130557633010 0.12500000000000 0.79416951618435 18.998 > 33 38 F 0.76130557633010 0.12500000000000 0.79416951618435 18.998 > 33 39 F 0.26130557633010 0.62500000000000 0.79416951618435 18.998 > 33 40 F 0.76130557633010 0.62500000000000 0.79416951618435 18.998 > 33 41 F 0.48869442366990 0.37500000000000 0.04416951618435 18.998 > 41 42 F 0.98869442366990 0.37500000000000 0.04416951618435 18.998 > 41 43 F 0.48869442366990 0.87500000000000 0.04416951618435 18.998 > 41 44 F 0.98869442366990 0.87500000000000 0.04416951618435 18.998 > 41 45 F 0.48869442366990 0.37500000000000 0.54416951618435 18.998 > 41 46 F 0.98869442366990 0.37500000000000 0.54416951618435 18.998 > 41 47 F 0.48869442366990 0.87500000000000 0.54416951618435 18.998 > 41 48 F 0.98869442366990 0.87500000000000 0.54416951618435 18.998 > 41 49 F 0.01130557633010 0.12500000000000 0.45583048381565 18.998 > 49 50 F 0.51130557633010 0.12500000000000 0.45583048381565 18.998 > 49 51 F 0.01130557633010 0.62500000000000 0.45583048381565 18.998 > 49 52 F 0.51130557633010 0.62500000000000 0.45583048381565 18.998 > 49 53 F 0.01130557633010 0.12500000000000 0.95583048381565 18.998 > 49 54 F 0.51130557633010 0.12500000000000 0.95583048381565 18.998 > 49 55 F 0.01130557633010 0.62500000000000 0.95583048381565 18.998 > 49 56 F 0.51130557633010 0.62500000000000 0.95583048381565 18.998 > 49 57 F 0.23869442366990 0.37500000000000 0.20583048381565 18.998 > 57 58 F 0.73869442366990 0.37500000000000 0.20583048381565 18.998 > 57 59 F 0.23869442366990 0.87500000000000 0.20583048381565 18.998 > 57 60 F 0.73869442366990 0.87500000000000 0.20583048381565 18.998 > 57 61 F 0.23869442366990 0.37500000000000 0.70583048381565 18.998 > 57 62 F 0.73869442366990 0.37500000000000 0.70583048381565 18.998 > 57 63 F 0.23869442366990 0.87500000000000 0.70583048381565 18.998 > 57 64 F 0.73869442366990 0.87500000000000 0.70583048381565 18.998 > 57 65 F 0.08257359034045 0.03156651611049 0.18955637389300 18.998 > 65 66 F 0.58257359034045 0.03156651611049 0.18955637389300 18.998 > 65 67 F 0.08257359034045 0.53156651611049 0.18955637389300 18.998 > 65 68 F 0.58257359034045 0.53156651611049 0.18955637389300 18.998 > 65 69 F 0.08257359034045 0.03156651611049 0.68955637389300 18.998 > 65 70 F 0.58257359034045 0.03156651611049 0.68955637389300 18.998 > 65 71 F 0.08257359034045 0.53156651611049 0.68955637389300 18.998 > 65 72 F 0.58257359034045 0.53156651611049 0.68955637389300 18.998 > 65 73 F 0.16742640965955 0.46843348388951 0.43955637389300 18.998 > 73 74 F 0.66742640965955 0.46843348388951 0.43955637389300 18.998 > 73 75 F 0.16742640965955 0.96843348388951 0.43955637389300 18.998 > 73 76 F 0.66742640965955 0.96843348388951 0.43955637389300 18.998 > 73 77 F 0.16742640965955 0.46843348388951 0.93955637389300 18.998 > 73 78 F 0.66742640965955 0.46843348388951 0.93955637389300 18.998 > 73 79 F 0.16742640965955 0.96843348388951 0.93955637389300 18.998 > 73 80 F 0.66742640965955 0.96843348388951 0.93955637389300 18.998 > 73 81 F 0.33257359034045 0.21843348388951 0.06044362610700 18.998 > 81 82 F 0.83257359034045 0.21843348388951 0.06044362610700 18.998 > 81 83 F 0.33257359034045 0.71843348388951 0.06044362610700 18.998 > 81 84 F 0.83257359034045 0.71843348388951 0.06044362610700 18.998 > 81 85 F 0.33257359034045 0.21843348388951 0.56044362610700 18.998 > 81 86 F 0.83257359034045 0.21843348388951 0.56044362610700 18.998 > 81 87 F 0.33257359034045 0.71843348388951 0.56044362610700 18.998 > 81 88 F 0.83257359034045 0.71843348388951 0.56044362610700 18.998 > 81 89 F 0.41742640965955 0.28156651611049 0.31044362610700 18.998 > 89 90 F 0.91742640965955 0.28156651611049 0.31044362610700 18.998 > 89 91 F 0.41742640965955 0.78156651611049 0.31044362610700 18.998 > 89 92 F 0.91742640965955 0.78156651611049 0.31044362610700 18.998 > 89 93 F 0.41742640965955 0.28156651611049 0.81044362610700 18.998 > 89 94 F 0.91742640965955 0.28156651611049 0.81044362610700 18.998 > 89 95 F 0.41742640965955 0.78156651611049 0.81044362610700 18.998 > 89 96 F 0.91742640965955 0.78156651611049 0.81044362610700 18.998 > 89 97 Y 0.31548938025209 0.37500000000000 0.46902510939297 88.906 > 97 98 Y 0.81548938025210 0.37500000000000 0.46902510939297 88.906 > 97 99 Y 0.31548938025209 0.87500000000000 0.46902510939297 88.906 > 97 100 Y 0.81548938025210 0.87500000000000 0.46902510939297 88.906 > 97 101 Y 0.31548938025209 0.37500000000000 0.96902510939297 88.906 > 97 102 Y 0.81548938025210 0.37500000000000 0.96902510939297 88.906 > 97 103 Y 0.31548938025209 0.87500000000000 0.96902510939297 88.906 > 97 104 Y 0.81548938025210 0.87500000000000 0.96902510939297 88.906 > 97 105 Y 0.43451061974791 0.12500000000000 0.21902510939297 88.906 > 105 106 Y 0.93451061974790 0.12500000000000 0.21902510939297 88.906 > 105 107 Y 0.43451061974791 0.62500000000000 0.21902510939297 88.906 > 105 108 Y 0.93451061974790 0.62500000000000 0.21902510939297 88.906 > 105 109 Y 0.43451061974791 0.12500000000000 0.71902510939297 88.906 > 105 110 Y 0.93451061974790 0.12500000000000 0.71902510939297 88.906 > 105 111 Y 0.43451061974791 0.62500000000000 0.71902510939297 88.906 > 105 112 Y 0.93451061974790 0.62500000000000 0.71902510939297 88.906 > 105 113 Y 0.06548938025209 0.37500000000000 0.28097489060703 88.906 > 113 114 Y 0.56548938025210 0.37500000000000 0.28097489060703 88.906 > 113 115 Y 0.06548938025209 0.87500000000000 0.28097489060703 88.906 > 113 116 Y 0.56548938025210 0.87500000000000 0.28097489060703 88.906 > 113 117 Y 0.06548938025209 0.37500000000000 0.78097489060703 88.906 > 113 118 Y 0.56548938025210 0.37500000000000 0.78097489060703 88.906 > 113 119 Y 0.06548938025209 0.87500000000000 0.78097489060703 88.906 > 113 120 Y 0.56548938025210 0.87500000000000 0.78097489060703 88.906 > 113 121 Y 0.18451061974791 0.12500000000000 0.03097489060703 88.906 > 121 122 Y 0.68451061974790 0.12500000000000 0.03097489060703 88.906 > 121 123 Y 0.18451061974791 0.62500000000000 0.03097489060703 88.906 > 121 124 Y 0.68451061974790 0.62500000000000 0.03097489060703 88.906 > 121 125 Y 0.18451061974791 0.12500000000000 0.53097489060703 88.906 > 121 126 Y 0.68451061974790 0.12500000000000 0.53097489060703 88.906 > 121 127 Y 0.18451061974791 0.62500000000000 0.53097489060703 88.906 > 121 128 Y 0.68451061974790 0.62500000000000 0.53097489060703 88.906 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8114241 0.0000000 0.0000000 0.0000000 2.7379314 0.0000000 0.0000000 0.0000000 2.6706353 -------------------------- Born effective charges -------------------------- 1 F -1.2639890 -0.0221063 0.2441782 -0.0178154 -1.5579195 -0.3270931 0.2730451 -0.3321646 -1.0089367 2 F -1.2639890 -0.0221063 -0.2441782 -0.0178154 -1.5579195 0.3270931 -0.2730451 0.3321646 -1.0089367 3 F -1.2639890 0.0221063 -0.2441782 0.0178154 -1.5579195 -0.3270931 -0.2730451 -0.3321646 -1.0089367 4 F -1.2639890 0.0221063 0.2441782 0.0178154 -1.5579195 0.3270931 0.2730451 0.3321646 -1.0089367 5 F -1.4416081 0.0000000 0.2467499 0.0000000 -0.7312337 0.0000000 0.2661776 0.0000000 -1.6224376 6 F -1.4416081 0.0000000 -0.2467499 0.0000000 -0.7312337 0.0000000 -0.2661776 0.0000000 -1.6224376 7 F -1.4416081 0.0000000 -0.2467499 0.0000000 -0.7312337 0.0000000 -0.2661776 0.0000000 -1.6224376 8 F -1.4416081 0.0000000 0.2467499 0.0000000 -0.7312337 0.0000000 0.2661776 0.0000000 -1.6224376 9 F -1.2639890 0.0221063 0.2441782 0.0178154 -1.5579195 0.3270931 0.2730451 0.3321646 -1.0089367 10 F -1.2639890 0.0221063 -0.2441782 0.0178154 -1.5579195 -0.3270931 -0.2730451 -0.3321646 -1.0089367 11 F -1.2639890 -0.0221063 -0.2441782 -0.0178154 -1.5579195 0.3270931 -0.2730451 0.3321646 -1.0089367 12 F -1.2639890 -0.0221063 0.2441782 -0.0178154 -1.5579195 -0.3270931 0.2730451 -0.3321646 -1.0089367 13 Y 3.9695860 0.0000000 -0.2619107 0.0000000 3.8470727 0.0000000 -0.1341181 0.0000000 3.6403111 14 Y 3.9695860 0.0000000 0.2619107 0.0000000 3.8470727 0.0000000 0.1341181 0.0000000 3.6403111 15 Y 3.9695860 0.0000000 0.2619107 0.0000000 3.8470727 0.0000000 0.1341181 0.0000000 3.6403111 16 Y 3.9695860 0.0000000 -0.2619107 0.0000000 3.8470727 0.0000000 -0.1341181 0.0000000 3.6403111 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000015 (xzx) 0.00000015 (xzx) 0.00000015 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 11 ] 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: 0.72, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 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 3.531 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.489 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.966 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.168 ( 0.000 0.000 0.000) 0.000 8.599 ( 0.000 0.000 0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.160 ( 0.000 0.000 0.000) 0.000 9.468 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 10.044 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.160 ( 0.000 0.000 0.000) 0.000 10.752 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 10.844 ( 0.000 0.000 0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.511 ( 0.000 0.000 0.000) 0.000 11.870 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.900 ( 0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 14.363 ( 0.000 0.000 0.000) 0.000 15.152 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 34.688 0.000 0.000) 34.688 0.705 ( 35.514 0.000 0.000) 35.514 1.289 ( 64.472 0.000 0.000) 64.472 3.628 ( 7.132 0.000 0.000) 7.132 3.642 ( 0.350 0.000 0.000) 0.350 4.044 ( 9.097 0.000 0.000) 9.097 4.057 ( 0.523 0.000 0.000) 0.523 4.186 ( -1.322 0.000 0.000) 1.322 4.377 ( -3.757 0.000 0.000) 3.757 4.537 ( -28.117 0.000 0.000) 28.117 4.897 ( -4.888 0.000 0.000) 4.888 5.210 ( 3.509 0.000 0.000) 3.509 5.714 ( 1.402 0.000 0.000) 1.402 5.744 ( 0.677 0.000 0.000) 0.677 6.244 ( 22.793 0.000 0.000) 22.793 6.275 ( -7.984 0.000 0.000) 7.984 6.420 ( -2.755 0.000 0.000) 2.755 6.458 ( -0.171 0.000 0.000) 0.171 6.661 ( -14.025 0.000 0.000) 14.025 7.198 ( 9.003 0.000 0.000) 9.003 7.358 ( 17.261 0.000 0.000) 17.261 7.634 ( -20.493 0.000 0.000) 20.493 7.806 ( 8.076 0.000 0.000) 8.076 7.824 ( -8.714 0.000 0.000) 8.714 8.035 ( 7.071 0.000 0.000) 7.071 8.163 ( -9.087 0.000 0.000) 9.087 8.601 ( 0.044 0.000 0.000) 0.044 9.015 ( 0.271 0.000 0.000) 0.271 9.052 ( -4.737 0.000 0.000) 4.737 9.118 ( -2.423 0.000 0.000) 2.423 9.661 ( -1.659 0.000 0.000) 1.659 9.912 ( -2.820 0.000 0.000) 2.820 10.044 ( 0.169 0.000 0.000) 0.169 10.062 ( -4.573 0.000 0.000) 4.573 10.273 ( 9.965 0.000 0.000) 9.965 10.584 ( -13.903 0.000 0.000) 13.903 10.729 ( -1.678 0.000 0.000) 1.678 10.834 ( -4.364 0.000 0.000) 4.364 10.868 ( -0.440 0.000 0.000) 0.440 10.913 ( -0.244 0.000 0.000) 0.244 11.548 ( 6.998 0.000 0.000) 6.998 11.948 ( 7.221 0.000 0.000) 7.221 12.236 ( -1.461 0.000 0.000) 1.461 12.937 ( -4.490 0.000 0.000) 4.490 12.991 ( 8.880 0.000 0.000) 8.880 14.112 ( 1.115 0.000 0.000) 1.115 15.166 ( 1.371 0.000 0.000) 1.371 15.380 ( -1.570 0.000 0.000) 1.570 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 33.964 0.000 0.000) 33.964 1.396 ( 34.370 0.000 0.000) 34.370 2.509 ( 57.065 0.000 0.000) 57.065 3.657 ( -4.808 0.000 0.000) 4.808 3.678 ( 3.444 0.000 0.000) 3.444 3.932 ( -31.748 0.000 0.000) 31.748 4.071 ( 0.964 0.000 0.000) 0.964 4.169 ( -2.039 0.000 0.000) 2.039 4.269 ( 12.998 0.000 0.000) 12.998 4.290 ( -4.948 0.000 0.000) 4.948 4.969 ( 14.551 0.000 0.000) 14.551 5.240 ( 0.245 0.000 0.000) 0.245 5.741 ( -0.426 0.000 0.000) 0.426 5.755 ( 2.823 0.000 0.000) 2.823 6.081 ( -10.245 0.000 0.000) 10.245 6.384 ( -1.336 0.000 0.000) 1.336 6.396 ( -1.508 0.000 0.000) 1.508 6.396 ( -12.541 0.000 0.000) 12.541 6.764 ( 23.449 0.000 0.000) 23.449 6.990 ( -39.576 0.000 0.000) 39.576 7.372 ( 7.396 0.000 0.000) 7.396 7.598 ( -23.230 0.000 0.000) 23.230 7.705 ( 17.247 0.000 0.000) 17.247 8.001 ( -0.664 0.000 0.000) 0.664 8.007 ( 11.143 0.000 0.000) 11.143 8.252 ( 15.109 0.000 0.000) 15.109 8.591 ( -1.350 0.000 0.000) 1.350 8.932 ( -6.830 0.000 0.000) 6.830 9.029 ( 1.234 0.000 0.000) 1.234 9.076 ( -2.754 0.000 0.000) 2.754 9.607 ( -3.074 0.000 0.000) 3.074 9.832 ( -5.160 0.000 0.000) 5.160 9.938 ( -7.684 0.000 0.000) 7.684 10.059 ( 1.596 0.000 0.000) 1.596 10.268 ( -17.484 0.000 0.000) 17.484 10.482 ( 9.859 0.000 0.000) 9.859 10.677 ( -10.703 0.000 0.000) 10.703 10.715 ( 0.810 0.000 0.000) 0.810 10.844 ( -2.096 0.000 0.000) 2.096 10.911 ( -0.064 0.000 0.000) 0.064 11.709 ( 8.667 0.000 0.000) 8.667 12.121 ( 9.714 0.000 0.000) 9.714 12.193 ( -2.975 0.000 0.000) 2.975 12.820 ( -6.996 0.000 0.000) 6.996 13.230 ( 14.639 0.000 0.000) 14.639 14.114 ( -1.594 0.000 0.000) 1.594 15.202 ( 2.074 0.000 0.000) 2.074 15.342 ( -2.051 0.000 0.000) 2.051 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 33.029 0.000 0.000) 33.029 2.054 ( 32.130 0.000 0.000) 32.130 3.083 ( -10.398 0.000 0.000) 10.398 3.302 ( -31.982 0.000 0.000) 31.982 3.776 ( 6.267 0.000 0.000) 6.267 3.916 ( 42.128 0.000 0.000) 42.128 4.073 ( -5.750 0.000 0.000) 5.750 4.095 ( 1.505 0.000 0.000) 1.505 4.199 ( -4.046 0.000 0.000) 4.046 4.528 ( 12.267 0.000 0.000) 12.267 5.125 ( -2.975 0.000 0.000) 2.975 5.535 ( 31.249 0.000 0.000) 31.249 5.742 ( 0.847 0.000 0.000) 0.847 5.817 ( 1.601 0.000 0.000) 1.601 5.901 ( -7.639 0.000 0.000) 7.639 6.144 ( -43.326 0.000 0.000) 43.326 6.177 ( -9.093 0.000 0.000) 9.093 6.363 ( -0.771 0.000 0.000) 0.771 6.367 ( -1.099 0.000 0.000) 1.099 6.999 ( -34.576 0.000 0.000) 34.576 7.163 ( 16.320 0.000 0.000) 16.320 7.459 ( 0.976 0.000 0.000) 0.976 8.004 ( 11.836 0.000 0.000) 11.836 8.065 ( 4.689 0.000 0.000) 4.689 8.221 ( 10.352 0.000 0.000) 10.352 8.534 ( -4.660 0.000 0.000) 4.660 8.609 ( 19.697 0.000 0.000) 19.697 8.818 ( -3.528 0.000 0.000) 3.528 8.980 ( -7.018 0.000 0.000) 7.018 9.051 ( -0.005 0.000 0.000) 0.005 9.576 ( 0.662 0.000 0.000) 0.662 9.726 ( -4.767 0.000 0.000) 4.767 9.777 ( -8.060 0.000 0.000) 8.060 9.922 ( -16.461 0.000 0.000) 16.461 10.117 ( 4.524 0.000 0.000) 4.524 10.448 ( -11.601 0.000 0.000) 11.601 10.631 ( 5.341 0.000 0.000) 5.341 10.770 ( 4.408 0.000 0.000) 4.408 10.789 ( -3.305 0.000 0.000) 3.305 10.900 ( -1.264 0.000 0.000) 1.264 11.873 ( 7.783 0.000 0.000) 7.783 12.118 ( -4.573 0.000 0.000) 4.573 12.315 ( 9.708 0.000 0.000) 9.708 12.670 ( -8.177 0.000 0.000) 8.177 13.537 ( 15.774 0.000 0.000) 15.774 14.028 ( -7.353 0.000 0.000) 7.353 15.242 ( 1.930 0.000 0.000) 1.930 15.305 ( -1.603 0.000 0.000) 1.603 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -27.759 0.000 0.000) 27.759 2.650 ( 27.759 0.000 0.000) 27.759 2.669 ( -32.266 0.000 0.000) 32.266 2.669 ( 32.266 0.000 0.000) 32.266 3.916 ( -7.717 0.000 0.000) 7.717 3.916 ( 7.717 0.000 0.000) 7.717 4.134 ( -2.544 0.000 0.000) 2.544 4.134 ( 2.544 0.000 0.000) 2.544 4.641 ( -10.479 0.000 0.000) 10.479 4.641 ( 10.479 0.000 0.000) 10.479 5.255 ( -30.483 0.000 0.000) 30.483 5.255 ( 30.483 0.000 0.000) 30.483 5.787 ( -3.925 0.000 0.000) 3.925 5.787 ( 3.925 0.000 0.000) 3.925 5.945 ( -2.463 0.000 0.000) 2.463 5.945 ( 2.463 0.000 0.000) 2.463 6.303 ( -32.795 0.000 0.000) 32.795 6.303 ( 32.795 0.000 0.000) 32.795 6.356 ( -0.085 0.000 0.000) 0.085 6.356 ( 0.085 0.000 0.000) 0.085 7.398 ( -7.399 0.000 0.000) 7.399 7.398 ( 7.399 0.000 0.000) 7.399 8.125 ( -0.240 0.000 0.000) 0.240 8.125 ( 0.240 0.000 0.000) 0.240 8.406 ( -8.187 0.000 0.000) 8.187 8.406 ( 8.187 0.000 0.000) 8.187 8.838 ( -5.600 0.000 0.000) 5.600 8.838 ( 5.600 0.000 0.000) 5.600 8.949 ( -12.202 0.000 0.000) 12.202 8.949 ( 12.202 0.000 0.000) 12.202 9.639 ( -5.487 0.000 0.000) 5.487 9.639 ( 5.487 0.000 0.000) 5.487 9.700 ( -4.201 0.000 0.000) 4.201 9.700 ( 4.201 0.000 0.000) 4.201 10.245 ( -8.551 0.000 0.000) 8.551 10.245 ( 8.551 0.000 0.000) 8.551 10.718 ( -3.870 0.000 0.000) 3.870 10.718 ( 3.870 0.000 0.000) 3.870 10.854 ( -3.484 0.000 0.000) 3.484 10.854 ( 3.484 0.000 0.000) 3.484 12.012 ( -6.229 0.000 0.000) 6.229 12.012 ( 6.229 0.000 0.000) 6.229 12.500 ( -9.015 0.000 0.000) 9.015 12.500 ( 9.015 0.000 0.000) 9.015 13.826 ( -12.892 0.000 0.000) 12.892 13.826 ( 12.892 0.000 0.000) 12.892 15.276 ( -1.492 0.000 0.000) 1.492 15.276 ( 1.492 0.000 0.000) 1.492 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 34.032 0.000) 34.032 0.716 ( 0.000 34.067 0.000) 34.067 1.400 ( 0.000 65.720 0.000) 65.720 3.466 ( 0.000 -7.244 0.000) 7.244 3.534 ( 0.000 -10.471 0.000) 10.471 3.956 ( 0.000 1.192 0.000) 1.192 4.123 ( 0.000 6.331 0.000) 6.331 4.195 ( 0.000 0.292 0.000) 0.292 4.455 ( 0.000 3.294 0.000) 3.294 4.844 ( 0.000 -4.196 0.000) 4.196 4.997 ( 0.000 -0.149 0.000) 0.149 5.089 ( 0.000 -4.415 0.000) 4.415 5.378 ( 0.000 -22.981 0.000) 22.981 5.642 ( 0.000 -5.306 0.000) 5.306 6.020 ( 0.000 -0.805 0.000) 0.805 6.339 ( 0.000 -12.880 0.000) 12.880 6.509 ( 0.000 3.647 0.000) 3.647 6.727 ( 0.000 -1.391 0.000) 1.391 7.058 ( 0.000 -3.078 0.000) 3.078 7.122 ( 0.000 4.685 0.000) 4.685 7.411 ( 0.000 -16.203 0.000) 16.203 7.475 ( 0.000 -1.153 0.000) 1.153 7.809 ( 0.000 3.735 0.000) 3.735 7.938 ( 0.000 -0.053 0.000) 0.053 7.948 ( 0.000 8.362 0.000) 8.362 8.281 ( 0.000 13.070 0.000) 13.070 8.300 ( 0.000 10.313 0.000) 10.313 8.552 ( 0.000 -4.449 0.000) 4.449 9.140 ( 0.000 -0.602 0.000) 0.602 9.457 ( 0.000 -1.376 0.000) 1.376 9.483 ( 0.000 -11.440 0.000) 11.440 9.661 ( 0.000 -0.936 0.000) 0.936 10.039 ( 0.000 -0.399 0.000) 0.399 10.082 ( 0.000 8.639 0.000) 8.639 10.169 ( 0.000 3.760 0.000) 3.760 10.283 ( 0.000 12.140 0.000) 12.140 10.771 ( 0.000 -5.612 0.000) 5.612 10.813 ( 0.000 6.214 0.000) 6.214 10.886 ( 0.000 1.678 0.000) 1.678 11.443 ( 0.000 -1.326 0.000) 1.326 11.568 ( 0.000 -19.143 0.000) 19.143 11.607 ( 0.000 7.058 0.000) 7.058 12.442 ( 0.000 4.544 0.000) 4.544 12.908 ( 0.000 -7.099 0.000) 7.099 12.974 ( 0.000 11.185 0.000) 11.185 14.456 ( 0.000 8.476 0.000) 8.476 15.062 ( 0.000 -8.531 0.000) 8.531 15.532 ( 0.000 -3.613 0.000) 3.613 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 23.367 24.856 0.000) 34.115 0.997 ( 24.747 23.892 0.000) 34.398 1.904 ( 43.302 47.403 0.000) 64.204 3.543 ( 1.138 -9.567 0.000) 9.634 3.585 ( 9.685 -5.564 0.000) 11.170 4.020 ( 5.318 -1.337 0.000) 5.483 4.106 ( -4.343 2.443 0.000) 4.983 4.171 ( 1.150 2.264 0.000) 2.539 4.413 ( -6.058 1.975 0.000) 6.372 4.545 ( -20.677 1.636 0.000) 20.742 4.874 ( -6.460 -1.904 0.000) 6.735 5.160 ( 2.906 -3.807 0.000) 4.790 5.374 ( 1.312 -21.160 0.000) 21.201 5.836 ( 6.735 -0.523 0.000) 6.755 6.128 ( 15.189 -10.651 0.000) 18.552 6.243 ( -8.400 -8.579 0.000) 12.006 6.496 ( -1.065 4.190 0.000) 4.323 6.634 ( -5.926 1.244 0.000) 6.055 6.674 ( -22.659 12.474 0.000) 25.865 7.229 ( 4.172 2.977 0.000) 5.125 7.313 ( 15.556 -3.143 0.000) 15.870 7.498 ( 8.192 -14.979 0.000) 17.073 7.747 ( -23.542 7.137 0.000) 24.600 7.974 ( 0.014 -0.432 0.000) 0.432 8.085 ( -3.483 12.351 0.000) 12.832 8.345 ( -3.981 11.346 0.000) 12.024 8.472 ( 10.299 -12.146 0.000) 15.925 8.660 ( 14.741 -10.211 0.000) 17.932 9.126 ( -0.164 0.991 0.000) 1.005 9.212 ( -10.393 1.633 0.000) 10.521 9.589 ( -5.400 -3.430 0.000) 6.397 9.852 ( 15.745 -24.192 0.000) 28.864 10.009 ( -3.025 0.321 0.000) 3.042 10.138 ( 0.478 12.213 0.000) 12.222 10.253 ( -2.890 8.041 0.000) 8.544 10.268 ( 11.753 0.545 0.000) 11.766 10.656 ( -10.984 -4.677 0.000) 11.938 10.786 ( -1.857 5.797 0.000) 6.088 10.893 ( 0.696 1.573 0.000) 1.720 11.408 ( -11.024 11.948 0.000) 16.257 11.513 ( 3.001 0.645 0.000) 3.070 11.634 ( 5.861 -18.598 0.000) 19.499 12.446 ( 0.329 5.627 0.000) 5.637 12.896 ( -2.247 -5.797 0.000) 6.217 13.068 ( 9.213 10.559 0.000) 14.014 14.383 ( -4.657 15.246 0.000) 15.941 15.078 ( 1.562 -8.341 0.000) 8.486 15.397 ( -7.427 -0.547 0.000) 7.448 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 30.109 14.762 0.000) 33.533 1.557 ( 30.339 14.625 0.000) 33.680 2.854 ( 47.530 29.711 0.000) 56.052 3.585 ( 3.018 -8.605 0.000) 9.119 3.692 ( -0.625 2.505 0.000) 2.582 3.894 ( -24.658 -2.541 0.000) 24.789 3.981 ( -5.632 -6.855 0.000) 8.872 4.240 ( 2.659 0.887 0.000) 2.803 4.257 ( 4.520 6.904 0.000) 8.252 4.413 ( 0.880 7.084 0.000) 7.138 4.871 ( 9.219 -8.230 0.000) 12.358 5.179 ( -0.630 -4.702 0.000) 4.744 5.425 ( 3.574 -19.580 0.000) 19.904 5.853 ( -1.782 0.605 0.000) 1.882 6.082 ( -6.701 -1.587 0.000) 6.886 6.314 ( -13.865 -1.576 0.000) 13.954 6.465 ( 1.167 3.893 0.000) 4.064 6.529 ( 17.539 -16.274 0.000) 23.926 6.581 ( -2.214 10.673 0.000) 10.900 7.103 ( -38.584 9.887 0.000) 39.831 7.309 ( 3.472 -5.494 0.000) 6.499 7.651 ( 16.807 -4.398 0.000) 17.373 7.696 ( 4.671 -4.546 0.000) 6.518 7.758 ( -15.795 -3.204 0.000) 16.116 8.127 ( 6.089 5.591 0.000) 8.266 8.368 ( 8.273 7.396 0.000) 11.097 8.532 ( 0.330 -4.056 0.000) 4.069 8.881 ( 7.380 -5.567 0.000) 9.244 9.023 ( -8.867 0.912 0.000) 8.914 9.137 ( 0.347 4.532 0.000) 4.545 9.484 ( -4.690 -5.794 0.000) 7.454 9.922 ( -5.430 1.880 0.000) 5.746 9.972 ( -2.857 -4.818 0.000) 5.602 10.135 ( -0.208 6.805 0.000) 6.808 10.174 ( -5.846 -4.454 0.000) 7.349 10.392 ( -13.482 -7.858 0.000) 15.605 10.512 ( 11.542 3.729 0.000) 12.129 10.772 ( 0.792 5.933 0.000) 5.985 10.908 ( 0.604 1.276 0.000) 1.412 11.190 ( -9.845 16.483 0.000) 19.199 11.624 ( 6.621 -5.442 0.000) 8.571 11.758 ( 5.776 -17.786 0.000) 18.700 12.458 ( 1.038 6.845 0.000) 6.924 12.816 ( -5.459 -2.743 0.000) 6.109 13.316 ( 15.127 9.811 0.000) 18.030 14.297 ( -4.905 14.502 0.000) 15.309 15.119 ( 2.431 -7.785 0.000) 8.156 15.295 ( -3.465 -3.936 0.000) 5.244 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 30.390 9.231 0.000) 31.761 2.157 ( 29.840 9.569 0.000) 31.337 3.204 ( -15.074 10.753 0.000) 18.517 3.329 ( -28.558 3.026 0.000) 28.718 3.686 ( 4.982 -7.554 0.000) 9.049 3.893 ( -4.023 -8.833 0.000) 9.706 4.077 ( 42.580 13.258 0.000) 44.596 4.251 ( -1.119 3.712 0.000) 3.877 4.274 ( -1.271 9.277 0.000) 9.363 4.543 ( 9.622 1.591 0.000) 9.753 5.084 ( 1.553 -3.287 0.000) 3.636 5.282 ( 17.865 -17.880 0.000) 25.276 5.503 ( 3.761 -18.360 0.000) 18.742 5.808 ( -3.209 -2.031 0.000) 3.797 5.988 ( -4.739 1.370 0.000) 4.933 6.130 ( -1.110 1.162 0.000) 1.607 6.268 ( -41.664 10.495 0.000) 42.966 6.465 ( -1.791 7.871 0.000) 8.072 6.542 ( -1.710 11.900 0.000) 12.022 6.777 ( -0.583 -14.785 0.000) 14.797 7.291 ( -15.134 5.524 0.000) 16.111 7.340 ( -0.776 -10.603 0.000) 10.631 7.921 ( 8.969 -10.930 0.000) 14.139 7.933 ( 10.649 -6.456 0.000) 12.454 8.272 ( 7.962 3.077 0.000) 8.536 8.506 ( -2.902 -1.603 0.000) 3.315 8.595 ( 12.490 0.089 0.000) 12.490 8.859 ( -6.390 1.699 0.000) 6.612 9.012 ( 5.392 -1.398 0.000) 5.570 9.113 ( -2.505 9.831 0.000) 10.145 9.440 ( 0.994 -6.378 0.000) 6.455 9.803 ( -13.130 1.924 0.000) 13.270 9.819 ( -3.992 2.337 0.000) 4.626 9.974 ( -11.739 3.447 0.000) 12.235 10.138 ( 0.669 1.539 0.000) 1.678 10.226 ( -4.252 -14.378 0.000) 14.994 10.706 ( 8.187 5.671 0.000) 9.959 10.817 ( 3.465 6.294 0.000) 7.184 10.906 ( -1.150 0.978 0.000) 1.509 11.017 ( -7.745 15.381 0.000) 17.220 11.748 ( 5.564 -8.898 0.000) 10.494 11.838 ( 1.960 -15.850 0.000) 15.971 12.496 ( 3.111 5.843 0.000) 6.620 12.698 ( -6.215 -0.138 0.000) 6.216 13.633 ( 16.290 9.643 0.000) 18.930 14.162 ( -9.149 11.747 0.000) 14.889 15.168 ( 2.355 -6.965 0.000) 7.353 15.245 ( -1.957 -5.351 0.000) 5.698 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -2.281 2.265 0.000) 3.214 2.631 ( 2.281 2.265 0.000) 3.214 2.841 ( -0.707 12.552 0.000) 12.572 2.841 ( 0.707 12.552 0.000) 12.572 3.796 ( -5.573 -8.611 0.000) 10.258 3.796 ( 5.573 -8.611 0.000) 10.258 4.243 ( -0.597 6.913 0.000) 6.938 4.243 ( 0.597 6.913 0.000) 6.938 4.660 ( -4.049 1.030 0.000) 4.177 4.660 ( 4.049 1.030 0.000) 4.177 5.344 ( -34.214 7.886 0.000) 35.111 5.344 ( 34.214 7.886 0.000) 35.111 5.533 ( -4.932 -18.903 0.000) 19.536 5.533 ( 4.932 -18.903 0.000) 19.536 5.885 ( -2.509 -3.179 0.000) 4.050 5.885 ( 2.509 -3.179 0.000) 4.050 6.354 ( -17.065 5.304 0.000) 17.871 6.354 ( 17.065 5.304 0.000) 17.871 6.542 ( -5.173 10.712 0.000) 11.896 6.542 ( 5.173 10.712 0.000) 11.896 7.276 ( -5.111 -10.677 0.000) 11.838 7.276 ( 5.111 -10.677 0.000) 11.838 8.031 ( -1.046 -8.434 0.000) 8.499 8.031 ( 1.046 -8.434 0.000) 8.499 8.417 ( -6.178 0.646 0.000) 6.212 8.417 ( 6.178 0.646 0.000) 6.212 8.766 ( -4.420 -3.026 0.000) 5.356 8.766 ( 4.420 -3.026 0.000) 5.356 9.081 ( -1.187 8.303 0.000) 8.388 9.081 ( 1.187 8.303 0.000) 8.388 9.542 ( -10.177 -2.564 0.000) 10.495 9.542 ( 10.177 -2.564 0.000) 10.495 9.812 ( -4.023 3.590 0.000) 5.392 9.812 ( 4.023 3.590 0.000) 5.392 10.166 ( -2.155 -5.877 0.000) 6.259 10.166 ( 2.155 -5.877 0.000) 6.259 10.844 ( -5.651 4.638 0.000) 7.310 10.844 ( 5.651 4.638 0.000) 7.310 10.894 ( -4.419 9.596 0.000) 10.564 10.894 ( 4.419 9.596 0.000) 10.564 11.831 ( -2.514 -12.394 0.000) 12.646 11.831 ( 2.514 -12.394 0.000) 12.646 12.581 ( -5.331 2.828 0.000) 6.035 12.581 ( 5.331 2.828 0.000) 6.035 13.934 ( -13.770 10.142 0.000) 17.102 13.934 ( 13.770 10.142 0.000) 17.102 15.209 ( -1.841 -6.111 0.000) 6.382 15.209 ( 1.841 -6.111 0.000) 6.382 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.000 33.119 0.000) 33.119 1.421 ( 0.000 33.794 0.000) 33.794 2.715 ( 0.000 58.759 0.000) 58.759 3.194 ( 0.000 -18.331 0.000) 18.331 3.219 ( 0.000 -19.371 0.000) 19.371 4.008 ( 0.000 4.200 0.000) 4.200 4.273 ( 0.000 7.533 0.000) 7.533 4.274 ( 0.000 6.613 0.000) 6.613 4.527 ( 0.000 2.988 0.000) 2.988 4.733 ( 0.000 -5.842 0.000) 5.842 4.871 ( 0.000 -23.804 0.000) 23.804 4.962 ( 0.000 -7.323 0.000) 7.323 4.993 ( 0.000 -0.230 0.000) 0.230 5.548 ( 0.000 -2.157 0.000) 2.157 5.918 ( 0.000 -7.633 0.000) 7.633 5.935 ( 0.000 -25.537 0.000) 25.537 6.595 ( 0.000 4.132 0.000) 4.132 6.703 ( 0.000 -0.348 0.000) 0.348 6.960 ( 0.000 -5.838 0.000) 5.838 7.088 ( 0.000 -14.054 0.000) 14.054 7.246 ( 0.000 6.158 0.000) 6.158 7.447 ( 0.000 -1.412 0.000) 1.412 7.915 ( 0.000 6.245 0.000) 6.245 7.977 ( 0.000 3.381 0.000) 3.381 8.085 ( 0.000 4.303 0.000) 4.303 8.421 ( 0.000 -7.825 0.000) 7.825 8.520 ( 0.000 9.707 0.000) 9.707 8.554 ( 0.000 11.310 0.000) 11.310 9.180 ( 0.000 4.783 0.000) 4.783 9.277 ( 0.000 -7.165 0.000) 7.165 9.392 ( 0.000 -4.899 0.000) 4.899 9.621 ( 0.000 -3.327 0.000) 3.327 10.032 ( 0.000 -0.128 0.000) 0.128 10.104 ( 0.000 -1.502 0.000) 1.502 10.416 ( 0.000 13.118 0.000) 13.118 10.508 ( 0.000 8.186 0.000) 8.186 10.671 ( 0.000 -3.152 0.000) 3.152 10.956 ( 0.000 5.483 0.000) 5.483 11.039 ( 0.000 15.944 0.000) 15.944 11.189 ( 0.000 -16.454 0.000) 16.454 11.396 ( 0.000 -3.686 0.000) 3.686 11.797 ( 0.000 11.238 0.000) 11.238 12.309 ( 0.000 -14.239 0.000) 14.239 12.697 ( 0.000 -12.684 0.000) 12.684 13.384 ( 0.000 24.381 0.000) 24.381 14.689 ( 0.000 13.016 0.000) 13.016 14.803 ( 0.000 -16.067 0.000) 16.067 15.417 ( 0.000 -7.350 0.000) 7.350 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 14.872 29.911 0.000) 33.404 1.580 ( 14.899 31.174 0.000) 34.551 2.975 ( 25.121 51.045 0.000) 56.892 3.248 ( 2.884 -18.326 0.000) 18.551 3.333 ( 12.506 -17.936 0.000) 21.865 4.024 ( 0.345 2.387 0.000) 2.412 4.185 ( -8.796 7.216 0.000) 11.378 4.294 ( 2.640 6.248 0.000) 6.783 4.438 ( -10.366 1.273 0.000) 10.444 4.605 ( -6.546 2.508 0.000) 7.010 4.816 ( -8.510 -3.899 0.000) 9.360 4.897 ( 2.794 -23.082 0.000) 23.251 5.075 ( 2.617 -3.615 0.000) 4.463 5.753 ( 15.256 -5.979 0.000) 16.386 5.904 ( 0.025 -8.800 0.000) 8.800 5.923 ( -0.686 -21.881 0.000) 21.892 6.598 ( 0.348 5.047 0.000) 5.059 6.613 ( -9.784 -0.226 0.000) 9.787 6.833 ( -11.422 0.392 0.000) 11.429 7.176 ( 8.291 -14.854 0.000) 17.012 7.272 ( -0.374 1.694 0.000) 1.734 7.324 ( 5.544 3.796 0.000) 6.719 7.918 ( -15.890 7.528 0.000) 17.583 8.002 ( -3.665 2.773 0.000) 4.595 8.294 ( 18.518 -3.876 0.000) 18.919 8.330 ( -6.463 10.495 0.000) 12.325 8.501 ( 9.620 -6.924 0.000) 11.853 8.551 ( -6.712 7.230 0.000) 9.866 9.173 ( 0.536 3.901 0.000) 3.938 9.186 ( -6.710 -2.462 0.000) 7.147 9.490 ( 7.642 -12.425 0.000) 14.587 9.536 ( -6.013 -2.559 0.000) 6.535 10.007 ( -1.944 0.644 0.000) 2.048 10.200 ( 3.825 -2.514 0.000) 4.577 10.436 ( -7.214 6.983 0.000) 10.041 10.468 ( 6.538 12.565 0.000) 14.164 10.578 ( -9.157 -2.232 0.000) 9.425 10.962 ( 0.541 5.431 0.000) 5.458 10.973 ( -2.954 9.245 0.000) 9.705 11.311 ( 8.549 -8.572 0.000) 12.106 11.405 ( 0.587 -4.393 0.000) 4.432 11.731 ( -5.396 13.804 0.000) 14.821 12.342 ( 2.905 -13.128 0.000) 13.446 12.698 ( -0.494 -12.653 0.000) 12.663 13.453 ( 6.999 23.337 0.000) 24.364 14.675 ( -1.652 13.342 0.000) 13.443 14.825 ( 2.229 -15.617 0.000) 15.776 15.332 ( -7.174 -5.525 0.000) 9.055 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 22.066 25.624 0.000) 33.816 1.959 ( 22.731 22.648 0.000) 32.088 3.328 ( 5.028 -15.722 0.000) 16.506 3.570 ( 10.130 -2.574 0.000) 10.452 3.601 ( 29.572 23.611 0.000) 37.841 3.888 ( -15.999 3.177 0.000) 16.311 3.962 ( -8.887 7.720 0.000) 11.772 4.292 ( -0.725 3.480 0.000) 3.555 4.412 ( 8.405 6.636 0.000) 10.709 4.540 ( -0.657 4.190 0.000) 4.241 4.678 ( -3.058 -9.407 0.000) 9.891 4.973 ( 4.553 -22.441 0.000) 22.898 5.091 ( -0.538 -2.701 0.000) 2.755 5.826 ( -2.310 -2.189 0.000) 3.182 5.940 ( 3.120 -13.127 0.000) 13.493 6.143 ( 17.442 -15.950 0.000) 23.635 6.322 ( -15.505 2.673 0.000) 15.734 6.610 ( 0.841 7.192 0.000) 7.241 6.739 ( -0.734 1.617 0.000) 1.776 7.209 ( -4.123 -1.315 0.000) 4.328 7.309 ( -19.162 -1.703 0.000) 19.237 7.429 ( -5.740 -1.282 0.000) 5.881 7.552 ( 12.353 -4.957 0.000) 13.310 7.834 ( -17.519 1.529 0.000) 17.586 8.277 ( 0.848 7.910 0.000) 7.955 8.480 ( 4.128 -0.241 0.000) 4.135 8.486 ( 3.246 3.317 0.000) 4.641 8.749 ( 10.929 -6.280 0.000) 12.604 9.051 ( -5.836 1.902 0.000) 6.139 9.214 ( 3.298 2.943 0.000) 4.420 9.432 ( -4.082 -0.351 0.000) 4.097 9.661 ( 8.908 -17.240 0.000) 19.406 9.933 ( -5.601 1.011 0.000) 5.692 10.197 ( -2.801 -1.627 0.000) 3.240 10.230 ( -13.575 3.980 0.000) 14.147 10.336 ( -14.199 0.085 0.000) 14.199 10.648 ( 9.729 7.853 0.000) 12.503 10.969 ( 2.483 10.236 0.000) 10.533 10.972 ( 0.224 5.118 0.000) 5.123 11.392 ( -2.727 -1.386 0.000) 3.059 11.471 ( 7.288 -6.494 0.000) 9.762 11.644 ( -2.277 12.084 0.000) 12.296 12.403 ( 3.023 -10.691 0.000) 11.110 12.664 ( -2.923 -11.554 0.000) 11.918 13.652 ( 12.708 20.566 0.000) 24.175 14.608 ( -5.556 13.979 0.000) 15.043 14.886 ( 3.719 -14.276 0.000) 14.752 15.195 ( -5.829 -5.551 0.000) 8.049 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 23.190 18.182 0.000) 29.468 2.430 ( 23.802 15.766 0.000) 28.550 3.395 ( -5.156 -4.234 0.000) 6.672 3.495 ( -18.654 16.400 0.000) 24.838 3.549 ( -9.426 2.839 0.000) 9.844 3.661 ( -1.844 -13.843 0.000) 13.966 4.309 ( 0.980 1.123 0.000) 1.490 4.404 ( 24.197 14.009 0.000) 27.960 4.431 ( 0.638 3.498 0.000) 3.555 4.585 ( 4.767 1.756 0.000) 5.080 4.865 ( 16.193 -16.290 0.000) 22.969 5.055 ( 2.875 -22.892 0.000) 23.071 5.117 ( 8.605 6.143 0.000) 10.572 5.784 ( -1.469 1.045 0.000) 1.803 5.990 ( -5.253 0.559 0.000) 5.282 6.154 ( 6.626 -0.960 0.000) 6.695 6.433 ( 7.774 -13.514 0.000) 15.591 6.534 ( -27.646 9.936 0.000) 29.377 6.673 ( -9.882 11.502 0.000) 15.165 6.728 ( -1.149 0.744 0.000) 1.369 7.116 ( -4.961 -4.954 0.000) 7.011 7.321 ( -21.063 -2.725 0.000) 21.239 7.672 ( 7.717 -11.997 0.000) 14.265 7.750 ( 6.844 -10.674 0.000) 12.680 8.350 ( 5.162 4.657 0.000) 6.952 8.504 ( -1.312 1.791 0.000) 2.220 8.602 ( 6.547 -0.433 0.000) 6.562 8.812 ( -4.331 -4.910 0.000) 6.547 9.078 ( 8.972 6.590 0.000) 11.132 9.286 ( 2.938 5.093 0.000) 5.880 9.404 ( 2.418 3.318 0.000) 4.105 9.793 ( 0.827 -9.008 0.000) 9.046 9.812 ( -5.284 -1.207 0.000) 5.420 9.927 ( -13.822 -1.962 0.000) 13.961 10.076 ( -10.334 -0.081 0.000) 10.335 10.122 ( -4.421 -3.869 0.000) 5.875 10.813 ( 6.781 5.435 0.000) 8.690 10.963 ( -1.266 4.782 0.000) 4.946 11.053 ( 5.557 11.784 0.000) 13.028 11.299 ( -6.021 7.050 0.000) 9.271 11.587 ( 4.240 -5.163 0.000) 6.681 11.637 ( 0.580 2.896 0.000) 2.954 12.459 ( 2.751 -8.984 0.000) 9.396 12.593 ( -3.936 -10.027 0.000) 10.772 13.930 ( 14.826 17.524 0.000) 22.954 14.451 ( -10.201 14.367 0.000) 17.620 14.964 ( 4.018 -12.199 0.000) 12.844 15.106 ( -3.586 -7.492 0.000) 8.306 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -1.864 9.218 0.000) 9.405 2.753 ( 1.864 9.218 0.000) 9.405 3.182 ( -2.746 19.314 0.000) 19.508 3.182 ( 2.746 19.314 0.000) 19.508 3.593 ( -4.776 -10.447 0.000) 11.487 3.593 ( 4.776 -10.447 0.000) 11.487 4.343 ( -2.945 1.016 0.000) 3.115 4.343 ( 2.945 1.016 0.000) 3.115 4.665 ( -0.615 -0.327 0.000) 0.697 4.665 ( 0.615 -0.327 0.000) 0.697 5.046 ( -4.500 -22.618 0.000) 23.061 5.046 ( 4.500 -22.618 0.000) 23.061 5.637 ( -30.243 15.785 0.000) 34.115 5.637 ( 30.243 15.785 0.000) 34.115 5.900 ( -5.716 5.707 0.000) 8.077 5.900 ( 5.716 5.707 0.000) 8.077 6.426 ( -13.947 -0.073 0.000) 13.947 6.426 ( 13.947 -0.073 0.000) 13.947 6.680 ( -3.610 -1.611 0.000) 3.953 6.680 ( 3.610 -1.611 0.000) 3.953 7.059 ( -2.204 -4.373 0.000) 4.897 7.059 ( 2.204 -4.373 0.000) 4.897 7.794 ( -2.607 -13.630 0.000) 13.877 7.794 ( 2.607 -13.630 0.000) 13.877 8.447 ( -4.194 2.673 0.000) 4.973 8.447 ( 4.194 2.673 0.000) 4.973 8.712 ( -4.934 -2.929 0.000) 5.738 8.712 ( 4.934 -2.929 0.000) 5.738 9.256 ( -6.635 8.568 0.000) 10.837 9.256 ( 6.635 8.568 0.000) 10.837 9.565 ( -13.356 3.974 0.000) 13.934 9.565 ( 13.356 3.974 0.000) 13.934 9.799 ( -4.514 -4.180 0.000) 6.152 9.799 ( 4.514 -4.180 0.000) 6.152 10.034 ( -3.893 -6.899 0.000) 7.921 10.034 ( 3.893 -6.899 0.000) 7.921 10.916 ( -3.694 4.765 0.000) 6.030 10.916 ( 3.694 4.765 0.000) 6.030 11.174 ( -6.423 11.027 0.000) 12.762 11.174 ( 6.423 11.027 0.000) 12.762 11.637 ( -0.990 -2.552 0.000) 2.737 11.637 ( 0.990 -2.552 0.000) 2.737 12.519 ( -3.428 -8.935 0.000) 9.570 12.519 ( 3.428 -8.935 0.000) 9.570 14.214 ( -13.550 15.361 0.000) 20.483 14.214 ( 13.550 15.361 0.000) 20.483 15.038 ( -3.497 -9.791 0.000) 10.396 15.038 ( 3.497 -9.791 0.000) 10.396 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 30.982 0.000) 30.982 2.112 ( 0.000 31.889 0.000) 31.889 2.701 ( 0.000 -26.733 0.000) 26.733 2.732 ( 0.000 -26.913 0.000) 26.913 3.812 ( 0.000 41.379 0.000) 41.379 4.149 ( 0.000 9.695 0.000) 9.695 4.303 ( 0.000 -7.149 0.000) 7.149 4.430 ( 0.000 -17.422 0.000) 17.422 4.508 ( 0.000 15.193 0.000) 15.193 4.573 ( 0.000 1.786 0.000) 1.786 4.628 ( 0.000 -3.942 0.000) 3.942 4.801 ( 0.000 -8.780 0.000) 8.780 5.007 ( 0.000 3.261 0.000) 3.261 5.327 ( 0.000 -28.728 0.000) 28.728 5.583 ( 0.000 5.308 0.000) 5.308 5.740 ( 0.000 -8.767 0.000) 8.767 6.689 ( 0.000 5.358 0.000) 5.358 6.730 ( 0.000 3.191 0.000) 3.191 6.831 ( 0.000 -6.011 0.000) 6.011 6.840 ( 0.000 -9.464 0.000) 9.464 7.355 ( 0.000 3.951 0.000) 3.951 7.414 ( 0.000 -1.970 0.000) 1.970 8.060 ( 0.000 3.971 0.000) 3.971 8.065 ( 0.000 7.953 0.000) 7.953 8.118 ( 0.000 -1.003 0.000) 1.003 8.242 ( 0.000 -8.818 0.000) 8.818 8.679 ( 0.000 4.943 0.000) 4.943 8.705 ( 0.000 2.822 0.000) 2.822 9.206 ( 0.000 0.403 0.000) 0.403 9.275 ( 0.000 -5.413 0.000) 5.413 9.331 ( 0.000 8.897 0.000) 8.897 9.510 ( 0.000 -7.340 0.000) 7.340 10.040 ( 0.000 0.929 0.000) 0.929 10.068 ( 0.000 -1.669 0.000) 1.669 10.612 ( 0.000 2.299 0.000) 2.299 10.636 ( 0.000 -0.736 0.000) 0.736 10.656 ( 0.000 10.491 0.000) 10.491 10.889 ( 0.000 -12.368 0.000) 12.368 11.111 ( 0.000 8.585 0.000) 8.585 11.282 ( 0.000 -7.139 0.000) 7.139 11.456 ( 0.000 22.561 0.000) 22.561 11.926 ( 0.000 -21.327 0.000) 21.327 12.073 ( 0.000 14.866 0.000) 14.866 12.397 ( 0.000 -15.519 0.000) 15.519 13.909 ( 0.000 24.990 0.000) 24.990 14.403 ( 0.000 -21.773 0.000) 21.773 14.970 ( 0.000 13.285 0.000) 13.285 15.226 ( 0.000 -10.886 0.000) 10.886 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 9.327 29.663 0.000) 31.094 2.232 ( 12.828 30.650 0.000) 33.226 2.788 ( 5.518 -25.343 0.000) 25.937 2.839 ( 12.649 -26.875 0.000) 29.703 3.942 ( 13.089 35.427 0.000) 37.767 4.144 ( -1.207 9.570 0.000) 9.646 4.329 ( 2.693 -4.845 0.000) 5.543 4.414 ( -8.680 14.579 0.000) 16.968 4.418 ( -3.366 -13.038 0.000) 13.465 4.533 ( -0.797 -1.033 0.000) 1.305 4.601 ( -2.342 -2.971 0.000) 3.783 4.701 ( -8.422 -8.136 0.000) 11.710 5.054 ( 3.507 3.721 0.000) 5.113 5.380 ( 5.298 -26.588 0.000) 27.111 5.682 ( 9.011 0.473 0.000) 9.023 5.757 ( 1.704 -5.745 0.000) 5.992 6.649 ( -8.055 3.739 0.000) 8.881 6.716 ( 2.712 6.800 0.000) 7.321 6.756 ( -6.721 -5.749 0.000) 8.845 6.901 ( 5.807 -11.075 0.000) 12.505 7.337 ( -2.075 3.252 0.000) 3.858 7.373 ( 0.225 0.250 0.000) 0.336 8.030 ( -6.474 3.256 0.000) 7.246 8.054 ( -7.437 1.062 0.000) 7.512 8.283 ( 15.826 2.188 0.000) 15.977 8.367 ( 11.851 -5.530 0.000) 13.078 8.518 ( -9.791 7.294 0.000) 12.210 8.615 ( -9.814 -1.257 0.000) 9.894 9.172 ( -2.895 2.062 0.000) 3.554 9.280 ( 0.826 -7.897 0.000) 7.940 9.295 ( -1.919 7.421 0.000) 7.665 9.447 ( -4.241 -6.190 0.000) 7.504 10.050 ( 0.127 3.344 0.000) 3.346 10.130 ( 2.641 -3.878 0.000) 4.692 10.527 ( -8.373 2.283 0.000) 8.679 10.554 ( -8.093 -0.670 0.000) 8.120 10.693 ( 4.110 9.749 0.000) 10.580 10.902 ( 1.989 -10.193 0.000) 10.385 11.113 ( 0.163 8.341 0.000) 8.343 11.282 ( -0.019 -7.267 0.000) 7.267 11.521 ( 5.752 21.135 0.000) 21.904 11.976 ( 4.483 -20.750 0.000) 21.229 12.046 ( -2.515 16.188 0.000) 16.382 12.390 ( -0.853 -16.182 0.000) 16.205 13.960 ( 5.098 24.178 0.000) 24.709 14.438 ( 3.465 -21.078 0.000) 21.361 14.945 ( -2.553 12.211 0.000) 12.475 15.174 ( -4.847 -9.435 0.000) 10.607 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 15.516 24.207 0.000) 28.753 2.535 ( 16.554 28.723 0.000) 33.152 2.939 ( 9.396 -21.194 0.000) 23.183 3.116 ( 13.235 -26.010 0.000) 29.184 4.051 ( -8.915 12.270 0.000) 15.167 4.164 ( -13.450 12.747 0.000) 18.531 4.283 ( 14.971 18.572 0.000) 23.855 4.314 ( -5.169 -6.436 0.000) 8.255 4.430 ( 4.941 -4.661 0.000) 6.793 4.544 ( -2.671 -2.631 0.000) 3.749 4.556 ( 0.600 -2.802 0.000) 2.865 4.592 ( 3.452 -7.938 0.000) 8.656 5.142 ( 6.784 10.573 0.000) 12.562 5.543 ( 11.721 -23.057 0.000) 25.865 5.805 ( 3.194 1.166 0.000) 3.400 5.895 ( 11.795 -7.737 0.000) 14.106 6.435 ( -11.970 8.022 0.000) 14.409 6.630 ( -5.957 -9.425 0.000) 11.150 6.786 ( 3.733 9.984 0.000) 10.659 7.036 ( 6.042 -13.882 0.000) 15.140 7.289 ( -2.264 6.959 0.000) 7.318 7.435 ( 4.414 -6.411 0.000) 7.784 7.640 ( -27.481 10.564 0.000) 29.441 7.802 ( -21.151 -4.652 0.000) 21.656 8.421 ( -0.531 5.504 0.000) 5.530 8.500 ( 0.602 -1.842 0.000) 1.938 8.523 ( 7.674 3.934 0.000) 8.624 8.625 ( 10.236 -5.552 0.000) 11.644 9.133 ( 0.720 6.636 0.000) 6.674 9.295 ( 2.022 4.929 0.000) 5.328 9.340 ( 6.141 -13.001 0.000) 14.379 9.395 ( -0.416 -3.792 0.000) 3.815 9.997 ( -5.703 4.894 0.000) 7.516 10.112 ( -4.140 -5.491 0.000) 6.877 10.296 ( -14.542 2.576 0.000) 14.769 10.335 ( -13.573 -0.898 0.000) 13.603 10.812 ( 7.147 7.990 0.000) 10.720 10.979 ( 5.518 -7.145 0.000) 9.027 11.114 ( -0.286 7.866 0.000) 7.871 11.277 ( -0.592 -7.333 0.000) 7.357 11.648 ( 6.422 19.375 0.000) 20.412 11.985 ( -3.496 18.021 0.000) 18.357 12.076 ( 5.058 -19.425 0.000) 20.072 12.358 ( -2.432 -16.981 0.000) 17.154 14.105 ( 9.318 21.736 0.000) 23.649 14.535 ( 6.140 -18.987 0.000) 19.955 14.866 ( -5.520 10.749 0.000) 12.084 15.058 ( -6.269 -7.709 0.000) 9.936 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 16.154 17.408 0.000) 23.748 2.847 ( 14.022 22.413 0.000) 26.438 3.136 ( 9.719 -15.779 0.000) 18.532 3.303 ( 4.822 -20.148 0.000) 20.717 3.834 ( -11.396 19.095 0.000) 22.237 3.869 ( -14.392 18.910 0.000) 23.764 4.219 ( -4.266 -13.146 0.000) 13.821 4.261 ( -7.226 -17.206 0.000) 18.662 4.595 ( 7.235 5.200 0.000) 8.910 4.599 ( 3.514 0.100 0.000) 3.515 4.669 ( 3.326 -9.881 0.000) 10.426 4.675 ( 6.100 -3.546 0.000) 7.056 5.441 ( 25.710 21.682 0.000) 33.632 5.861 ( 19.965 -15.365 0.000) 25.193 5.884 ( 4.801 8.539 0.000) 9.796 6.124 ( 10.872 -13.820 0.000) 17.583 6.224 ( -8.168 9.944 0.000) 12.868 6.506 ( -6.883 -15.481 0.000) 16.942 6.759 ( -17.492 9.900 0.000) 20.099 6.873 ( -20.943 2.900 0.000) 21.143 7.243 ( -2.584 11.784 0.000) 12.063 7.259 ( -10.765 1.507 0.000) 10.870 7.430 ( -4.449 -11.277 0.000) 12.123 7.504 ( 1.780 -12.508 0.000) 12.634 8.460 ( 3.352 5.442 0.000) 6.391 8.559 ( 3.831 -3.634 0.000) 5.281 8.579 ( -0.986 5.053 0.000) 5.148 8.697 ( -1.773 -5.803 0.000) 6.068 9.256 ( 10.653 10.424 0.000) 14.905 9.376 ( 6.028 4.514 0.000) 7.530 9.450 ( 6.167 -1.227 0.000) 6.288 9.512 ( 9.893 -13.822 0.000) 16.997 9.845 ( -8.795 5.195 0.000) 10.214 9.982 ( -16.361 3.816 0.000) 16.800 9.993 ( -7.341 -7.646 0.000) 10.599 10.051 ( -14.035 -2.482 0.000) 14.252 10.947 ( 6.105 7.196 0.000) 9.437 11.095 ( 5.731 -5.854 0.000) 8.193 11.096 ( -1.608 7.446 0.000) 7.618 11.253 ( -2.033 -6.870 0.000) 7.165 11.760 ( 4.876 18.353 0.000) 18.990 11.914 ( -3.563 18.486 0.000) 18.826 12.164 ( 3.878 -18.100 0.000) 18.511 12.300 ( -3.277 -17.199 0.000) 17.508 14.312 ( 11.254 18.173 0.000) 21.375 14.669 ( 7.226 -15.758 0.000) 17.335 14.726 ( -8.647 11.584 0.000) 14.456 14.937 ( -6.154 -8.833 0.000) 10.765 ======================= Grid point 31 (20/120) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( -1.919 13.692 0.000) 13.826 2.999 ( 1.919 13.692 0.000) 13.826 3.290 ( -5.357 -12.813 0.000) 13.888 3.290 ( 5.357 -12.813 0.000) 13.888 3.695 ( -0.412 23.466 0.000) 23.470 3.695 ( 0.412 23.466 0.000) 23.470 4.175 ( -0.726 -18.679 0.000) 18.693 4.175 ( 0.726 -18.679 0.000) 18.693 4.659 ( -1.073 0.013 0.000) 1.073 4.659 ( 1.073 0.013 0.000) 1.073 4.707 ( -0.658 -7.082 0.000) 7.112 4.707 ( 0.658 -7.082 0.000) 7.112 5.973 ( -1.989 15.891 0.000) 16.015 5.973 ( 1.989 15.891 0.000) 16.015 6.111 ( -26.745 11.520 0.000) 29.120 6.111 ( 26.745 11.520 0.000) 29.120 6.319 ( -0.237 -9.092 0.000) 9.095 6.319 ( 0.237 -9.092 0.000) 9.095 6.448 ( -19.033 -14.691 0.000) 24.043 6.448 ( 19.033 -14.691 0.000) 24.043 7.189 ( -2.201 12.482 0.000) 12.675 7.189 ( 2.201 12.482 0.000) 12.675 7.487 ( -3.472 -15.140 0.000) 15.533 7.487 ( 3.472 -15.140 0.000) 15.533 8.529 ( -3.380 4.874 0.000) 5.931 8.529 ( 3.380 4.874 0.000) 5.931 8.632 ( -3.709 -4.623 0.000) 5.927 8.632 ( 3.709 -4.623 0.000) 5.927 9.442 ( -4.201 9.063 0.000) 9.990 9.442 ( 4.201 9.063 0.000) 9.990 9.609 ( -5.994 -4.756 0.000) 7.652 9.609 ( 5.994 -4.756 0.000) 7.652 9.739 ( -2.661 3.507 0.000) 4.402 9.739 ( 2.661 3.507 0.000) 4.402 9.877 ( -0.498 -7.721 0.000) 7.737 9.877 ( 0.498 -7.721 0.000) 7.737 11.045 ( -3.744 7.171 0.000) 8.089 11.045 ( 3.744 7.171 0.000) 8.089 11.193 ( -4.031 -6.059 0.000) 7.277 11.193 ( 4.031 -6.059 0.000) 7.277 11.843 ( -3.751 18.178 0.000) 18.561 11.843 ( 3.751 18.178 0.000) 18.561 12.234 ( -3.372 -17.375 0.000) 17.699 12.234 ( 3.372 -17.375 0.000) 17.699 14.532 ( -10.734 14.475 0.000) 18.021 14.532 ( 10.734 14.475 0.000) 18.021 14.810 ( -6.816 -12.053 0.000) 13.847 14.810 ( 6.816 -12.053 0.000) 13.847 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 0.000 33.768) 33.768 0.752 ( 0.000 0.000 35.575) 35.575 1.087 ( 0.000 0.000 51.186) 51.186 3.553 ( 0.000 0.000 2.149) 2.149 3.719 ( 0.000 0.000 6.430) 6.430 3.972 ( 0.000 0.000 -6.363) 6.363 4.322 ( 0.000 0.000 10.335) 10.335 4.411 ( 0.000 0.000 -0.625) 0.625 4.986 ( 0.000 0.000 7.887) 7.887 5.054 ( 0.000 0.000 4.646) 4.646 5.192 ( 0.000 0.000 4.737) 4.737 5.619 ( 0.000 0.000 -6.861) 6.861 5.634 ( 0.000 0.000 8.341) 8.341 5.712 ( 0.000 0.000 -17.599) 17.599 5.712 ( 0.000 0.000 -0.467) 0.467 6.381 ( 0.000 0.000 3.000) 3.000 6.451 ( 0.000 0.000 -0.522) 0.522 6.673 ( 0.000 0.000 12.363) 12.363 6.749 ( 0.000 0.000 0.659) 0.659 7.087 ( 0.000 0.000 -1.258) 1.258 7.093 ( 0.000 0.000 0.613) 0.613 7.501 ( 0.000 0.000 1.167) 1.167 7.755 ( 0.000 0.000 2.971) 2.971 7.925 ( 0.000 0.000 -3.210) 3.210 8.062 ( 0.000 0.000 -3.877) 3.877 8.124 ( 0.000 0.000 -3.604) 3.604 8.608 ( 0.000 0.000 0.302) 0.302 8.831 ( 0.000 0.000 -16.382) 16.382 8.885 ( 0.000 0.000 -3.018) 3.018 9.088 ( 0.000 0.000 -4.775) 4.775 9.574 ( 0.000 0.000 6.728) 6.728 9.921 ( 0.000 0.000 -1.830) 1.830 10.036 ( 0.000 0.000 -0.997) 0.997 10.049 ( 0.000 0.000 -5.455) 5.455 10.148 ( 0.000 0.000 -0.663) 0.663 10.695 ( 0.000 0.000 -4.241) 4.241 10.810 ( 0.000 0.000 3.810) 3.810 10.827 ( 0.000 0.000 -1.600) 1.600 10.850 ( 0.000 0.000 -1.915) 1.915 11.504 ( 0.000 0.000 3.256) 3.256 11.511 ( 0.000 0.000 -0.305) 0.305 11.713 ( 0.000 0.000 -12.342) 12.342 12.258 ( 0.000 0.000 0.656) 0.656 12.307 ( 0.000 0.000 -7.155) 7.155 13.185 ( 0.000 0.000 14.138) 14.138 14.406 ( 0.000 0.000 3.873) 3.873 14.761 ( 0.000 0.000 -0.298) 0.298 15.100 ( 0.000 0.000 -4.879) 4.879 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.12 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 19.532 0.000 14.381) 24.255 0.986 ( 23.971 0.000 24.097) 33.989 1.854 ( 50.113 0.000 38.253) 63.045 3.589 ( 3.573 0.000 -1.399) 3.837 3.775 ( 3.453 0.000 7.786) 8.518 3.954 ( -2.290 0.000 -7.426) 7.771 4.262 ( -5.435 0.000 10.326) 11.669 4.368 ( -4.002 0.000 -0.999) 4.125 4.668 ( -24.769 0.000 10.181) 26.780 4.740 ( -22.898 0.000 24.678) 33.665 5.106 ( -8.021 0.000 18.341) 20.018 5.297 ( -0.024 0.000 12.663) 12.663 5.597 ( -0.288 0.000 -12.772) 12.775 5.640 ( 2.048 0.000 -6.254) 6.581 6.104 ( 17.931 0.000 -5.264) 18.688 6.377 ( 0.694 0.000 2.981) 3.061 6.452 ( 0.849 0.000 1.018) 1.326 6.572 ( -6.570 0.000 10.375) 12.280 6.666 ( -16.617 0.000 0.730) 16.633 7.120 ( 17.151 0.000 -13.192) 21.638 7.171 ( 6.245 0.000 -2.123) 6.596 7.669 ( -17.736 0.000 -0.538) 17.744 7.808 ( 0.544 0.000 -1.068) 1.198 7.859 ( 9.620 0.000 3.600) 10.271 7.990 ( 6.448 0.000 -2.735) 7.004 8.123 ( -9.781 0.000 -3.517) 10.395 8.606 ( -0.162 0.000 -0.684) 0.703 8.851 ( 2.046 0.000 -14.179) 14.325 8.947 ( 2.526 0.000 -9.100) 9.444 9.060 ( -3.876 0.000 -2.460) 4.590 9.602 ( 1.164 0.000 0.859) 1.447 9.903 ( -1.900 0.000 -1.440) 2.384 10.005 ( -4.290 0.000 -5.220) 6.757 10.015 ( -2.055 0.000 -2.138) 2.966 10.244 ( 8.817 0.000 -1.197) 8.898 10.643 ( -11.866 0.000 4.585) 12.721 10.671 ( -1.211 0.000 -4.342) 4.507 10.821 ( -4.513 0.000 -0.926) 4.607 10.883 ( 2.069 0.000 -0.458) 2.119 11.159 ( -13.253 0.000 10.408) 16.851 11.578 ( 6.677 0.000 2.882) 7.273 11.884 ( 8.427 0.000 -6.869) 10.872 12.244 ( -1.440 0.000 0.671) 1.589 12.475 ( 7.262 0.000 -18.644) 20.008 13.311 ( 7.499 0.000 13.610) 15.539 14.289 ( -4.253 0.000 11.444) 12.209 15.018 ( 9.357 0.000 -16.020) 18.553 15.138 ( 4.160 0.000 -6.935) 8.087 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 36.264 0.000 -4.886) 36.591 1.533 ( 29.899 0.000 15.042) 33.469 2.845 ( 46.343 0.000 26.377) 53.324 3.655 ( 1.617 0.000 -0.255) 1.637 3.771 ( -1.881 0.000 5.422) 5.739 3.806 ( -16.467 0.000 -6.750) 17.797 4.217 ( 1.357 0.000 7.519) 7.640 4.234 ( -13.335 0.000 9.532) 16.391 4.276 ( -5.617 0.000 -0.543) 5.643 4.488 ( -5.015 0.000 16.102) 16.865 5.177 ( 14.401 0.000 17.024) 22.299 5.279 ( -2.552 0.000 4.682) 5.333 5.623 ( 2.330 0.000 -9.108) 9.402 5.703 ( 4.364 0.000 -4.461) 6.241 6.146 ( -8.280 0.000 3.877) 9.143 6.367 ( -13.725 0.000 -2.185) 13.897 6.386 ( -1.132 0.000 -0.405) 1.202 6.432 ( -2.677 0.000 4.012) 4.823 6.743 ( 19.541 0.000 -1.917) 19.635 7.010 ( -34.828 0.000 1.565) 34.864 7.295 ( 5.582 0.000 -6.127) 8.289 7.495 ( 3.384 0.000 -8.026) 8.710 7.688 ( -11.663 0.000 -1.378) 11.744 8.009 ( 4.209 0.000 0.060) 4.210 8.081 ( 11.186 0.000 4.577) 12.086 8.169 ( 11.477 0.000 -5.352) 12.664 8.609 ( 1.109 0.000 -0.708) 1.316 8.905 ( -7.087 0.000 -2.617) 7.555 8.915 ( 4.490 0.000 -8.882) 9.952 8.985 ( -2.915 0.000 -7.042) 7.622 9.596 ( -1.104 0.000 0.110) 1.109 9.840 ( -4.509 0.000 -0.127) 4.511 9.894 ( -6.600 0.000 -4.274) 7.863 9.954 ( -4.500 0.000 -6.066) 7.553 10.392 ( -12.093 0.000 8.263) 14.646 10.437 ( 9.454 0.000 -2.580) 9.800 10.669 ( -10.047 0.000 -0.467) 10.058 10.670 ( 1.101 0.000 -3.511) 3.679 10.907 ( 0.346 0.000 -0.044) 0.349 11.003 ( -4.641 0.000 9.565) 10.632 11.732 ( 8.265 0.000 2.094) 8.526 12.067 ( 9.904 0.000 -5.379) 11.271 12.201 ( -2.930 0.000 0.720) 3.018 12.556 ( 1.319 0.000 -16.148) 16.201 13.458 ( 8.515 0.000 14.282) 16.628 14.222 ( -3.958 0.000 8.758) 9.611 15.108 ( 2.761 0.000 -9.930) 10.306 15.206 ( 1.645 0.000 -9.343) 9.487 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 35.001 0.000 -4.567) 35.298 2.135 ( 30.778 0.000 10.047) 32.377 3.140 ( -17.630 0.000 4.245) 18.134 3.325 ( -28.649 0.000 2.197) 28.734 3.820 ( 7.472 0.000 2.894) 8.012 4.068 ( 40.463 0.000 12.541) 42.362 4.121 ( -1.215 0.000 2.352) 2.647 4.153 ( -7.818 0.000 7.280) 10.683 4.184 ( -3.820 0.000 -1.182) 3.999 4.560 ( 9.631 0.000 4.674) 10.705 5.191 ( -3.921 0.000 5.525) 6.775 5.601 ( 21.587 0.000 5.616) 22.305 5.685 ( 4.132 0.000 -4.066) 5.797 5.833 ( 11.005 0.000 1.529) 11.111 5.956 ( -9.548 0.000 3.849) 10.295 6.104 ( -15.850 0.000 -1.991) 15.974 6.260 ( -34.642 0.000 6.355) 35.220 6.368 ( -0.401 0.000 0.523) 0.659 6.393 ( -1.503 0.000 2.216) 2.678 7.023 ( -32.655 0.000 2.005) 32.717 7.089 ( 14.446 0.000 -6.788) 15.961 7.362 ( 0.536 0.000 -8.235) 8.252 7.892 ( 14.379 0.000 -7.206) 16.083 8.116 ( 4.458 0.000 1.999) 4.885 8.261 ( 7.170 0.000 2.088) 7.467 8.366 ( 4.975 0.000 -9.662) 10.867 8.712 ( 11.179 0.000 2.750) 11.512 8.763 ( -5.484 0.000 -4.135) 6.868 8.886 ( -7.045 0.000 -7.285) 10.134 9.008 ( 3.553 0.000 -2.733) 4.483 9.591 ( 1.176 0.000 0.826) 1.437 9.733 ( -5.773 0.000 -0.011) 5.773 9.761 ( -6.519 0.000 -2.299) 6.913 9.806 ( -10.112 0.000 -6.660) 12.108 10.241 ( -2.099 0.000 8.201) 8.466 10.459 ( -10.358 0.000 1.204) 10.428 10.592 ( 6.199 0.000 -2.815) 6.808 10.700 ( 1.173 0.000 -3.601) 3.788 10.900 ( -0.700 0.000 1.825) 1.955 10.939 ( -2.173 0.000 7.495) 7.803 11.890 ( 7.499 0.000 1.441) 7.636 12.128 ( -4.486 0.000 0.824) 4.561 12.260 ( 9.243 0.000 -5.188) 10.599 12.531 ( -3.652 0.000 -10.728) 11.333 13.663 ( 11.946 0.000 10.002) 15.580 14.104 ( -8.184 0.000 6.485) 10.442 15.157 ( 2.261 0.000 -8.207) 8.513 15.214 ( -0.438 0.000 -7.706) 7.718 ======================= Grid point 67 (25/120) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -30.470 0.000 -1.124) 30.490 2.634 ( 30.470 0.000 -1.124) 30.490 2.739 ( -30.350 0.000 6.483) 31.035 2.739 ( 30.350 0.000 6.483) 31.035 3.980 ( -8.837 0.000 5.054) 10.180 3.980 ( 8.837 0.000 5.054) 10.180 4.129 ( -1.695 0.000 -0.326) 1.726 4.129 ( 1.695 0.000 -0.326) 1.726 4.655 ( -8.512 0.000 1.939) 8.730 4.655 ( 8.512 0.000 1.939) 8.730 5.367 ( -29.705 0.000 10.217) 31.413 5.367 ( 29.705 0.000 10.217) 31.413 5.792 ( -6.863 0.000 0.502) 6.881 5.792 ( 6.863 0.000 0.502) 6.881 5.931 ( -8.162 0.000 -1.489) 8.297 5.931 ( 8.162 0.000 -1.489) 8.297 6.364 ( -32.470 0.000 5.582) 32.946 6.364 ( 32.470 0.000 5.582) 32.946 6.371 ( -0.659 0.000 1.345) 1.498 6.371 ( 0.659 0.000 1.345) 1.498 7.301 ( -6.909 0.000 -8.648) 11.069 7.301 ( 6.909 0.000 -8.648) 11.069 8.108 ( -6.303 0.000 -1.549) 6.490 8.108 ( 6.303 0.000 -1.549) 6.490 8.366 ( -3.310 0.000 -4.178) 5.331 8.366 ( 3.310 0.000 -4.178) 5.331 8.752 ( -4.665 0.000 -6.476) 7.981 8.752 ( 4.665 0.000 -6.476) 7.981 8.963 ( -9.727 0.000 0.919) 9.771 8.963 ( 9.727 0.000 0.919) 9.771 9.649 ( -4.558 0.000 -0.150) 4.561 9.649 ( 4.558 0.000 -0.150) 4.561 9.667 ( -1.365 0.000 -2.331) 2.701 9.667 ( 1.365 0.000 -2.331) 2.701 10.290 ( -6.191 0.000 3.934) 7.335 10.290 ( 6.191 0.000 3.934) 7.335 10.684 ( -3.000 0.000 -3.120) 4.328 10.684 ( 3.000 0.000 -3.120) 4.328 10.905 ( -1.280 0.000 4.498) 4.677 10.905 ( 1.280 0.000 4.498) 4.677 12.024 ( -6.064 0.000 1.037) 6.152 12.024 ( 6.064 0.000 1.037) 6.152 12.423 ( -7.102 0.000 -6.714) 9.774 12.423 ( 7.102 0.000 -6.714) 9.774 13.904 ( -11.753 0.000 6.697) 13.527 13.904 ( 11.753 0.000 6.697) 13.527 15.195 ( -1.469 0.000 -7.439) 7.583 15.195 ( 1.469 0.000 -7.439) 7.583 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 22.666 24.992) 33.740 1.050 ( 0.000 23.769 25.654) 34.973 1.730 ( 0.000 51.194 29.024) 58.849 3.460 ( 0.000 -8.841 0.741) 8.872 3.611 ( 0.000 -10.139 6.733) 12.171 4.039 ( 0.000 5.876 -6.393) 8.683 4.288 ( 0.000 -0.432 8.240) 8.251 4.466 ( 0.000 -1.051 6.936) 7.016 4.568 ( 0.000 -23.476 21.140) 31.591 4.915 ( 0.000 -6.377 5.366) 8.335 5.179 ( 0.000 -2.546 7.195) 7.633 5.260 ( 0.000 -20.411 -9.914) 22.691 5.263 ( 0.000 -3.960 23.174) 23.510 5.655 ( 0.000 -5.963 2.025) 6.298 5.835 ( 0.000 0.417 -11.686) 11.693 6.481 ( 0.000 0.130 1.768) 1.773 6.544 ( 0.000 -9.470 9.091) 13.128 6.738 ( 0.000 -0.942 1.284) 1.593 6.885 ( 0.000 10.745 -15.333) 18.723 7.080 ( 0.000 0.263 -2.518) 2.532 7.261 ( 0.000 13.301 -4.796) 14.139 7.474 ( 0.000 -2.140 -0.129) 2.144 7.578 ( 0.000 -9.314 1.568) 9.445 7.915 ( 0.000 1.017 -1.673) 1.958 8.225 ( 0.000 11.708 -5.083) 12.764 8.245 ( 0.000 4.920 -3.560) 6.073 8.375 ( 0.000 -11.250 5.726) 12.623 8.565 ( 0.000 -3.657 0.663) 3.716 9.067 ( 0.000 -1.109 -4.966) 5.088 9.141 ( 0.000 4.873 -14.842) 15.622 9.542 ( 0.000 -2.533 4.837) 5.461 9.937 ( 0.000 -8.068 1.131) 8.146 10.049 ( 0.000 7.751 -2.820) 8.248 10.053 ( 0.000 -3.646 -0.439) 3.672 10.162 ( 0.000 3.447 -0.342) 3.464 10.456 ( 0.000 -1.660 17.376) 17.455 10.726 ( 0.000 0.957 -3.693) 3.815 10.800 ( 0.000 1.033 -0.658) 1.225 10.882 ( 0.000 1.096 -0.459) 1.188 11.444 ( 0.000 -2.233 -0.167) 2.240 11.449 ( 0.000 -17.549 -10.689) 20.548 11.646 ( 0.000 8.732 3.709) 9.487 12.382 ( 0.000 5.100 -4.363) 6.711 12.603 ( 0.000 8.287 -13.246) 15.624 13.251 ( 0.000 4.093 13.419) 14.029 14.489 ( 0.000 7.496 2.899) 8.037 15.012 ( 0.000 -8.336 -4.704) 9.572 15.126 ( 0.000 15.626 -20.593) 25.850 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.12 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 10.737 24.777 11.505) 29.352 1.333 ( 18.461 24.424 20.394) 36.787 2.238 ( 41.095 35.000 27.774) 60.706 3.507 ( 3.960 -8.386 -2.190) 9.529 3.670 ( 5.242 -9.315 7.074) 12.817 4.018 ( -3.098 5.177 -7.223) 9.411 4.200 ( -8.095 -1.473 7.314) 11.009 4.439 ( -8.445 -14.347 20.558) 26.454 4.466 ( -0.879 4.728 5.008) 6.943 4.668 ( -17.555 -3.231 9.514) 20.227 5.080 ( -7.027 -1.757 15.590) 17.190 5.252 ( 1.302 -11.418 1.125) 11.547 5.294 ( 1.763 -10.101 3.614) 10.872 5.749 ( 2.439 0.651 -7.669) 8.073 6.007 ( 16.547 -9.131 -5.024) 19.555 6.432 ( -6.101 -8.719 10.464) 14.925 6.489 ( -1.586 2.713 -0.232) 3.151 6.628 ( -5.190 3.059 -0.424) 6.040 6.696 ( -22.000 9.899 2.146) 24.220 7.128 ( 12.618 1.296 -11.476) 17.105 7.198 ( 6.032 2.336 -2.708) 7.012 7.550 ( 8.133 -14.727 2.175) 16.963 7.716 ( -15.787 3.413 -2.995) 16.427 7.951 ( 0.117 0.768 -1.965) 2.114 8.045 ( 1.095 8.945 -1.386) 9.118 8.286 ( -3.852 10.047 -4.936) 11.839 8.474 ( 4.903 -10.179 -1.960) 11.468 8.668 ( 9.335 -6.806 -1.168) 11.612 9.034 ( -0.361 2.124 -8.208) 8.486 9.098 ( -5.061 2.244 -7.877) 9.627 9.524 ( -2.013 -4.576 1.048) 5.108 9.917 ( -0.541 -8.430 -1.514) 8.582 10.019 ( -2.835 -0.353 -2.168) 3.586 10.097 ( -1.126 13.064 -2.761) 13.400 10.243 ( 8.863 -0.408 -1.352) 8.975 10.449 ( -0.880 -6.059 14.199) 15.463 10.655 ( -7.640 -3.183 -0.504) 8.292 10.755 ( -2.176 5.199 -1.640) 5.870 10.910 ( 1.676 1.858 1.151) 2.754 11.312 ( -7.981 0.188 -8.001) 11.302 11.537 ( 5.028 -3.972 1.546) 6.592 11.677 ( 3.778 -4.522 3.146) 6.680 12.401 ( 1.406 5.087 -3.666) 6.426 12.625 ( 1.808 7.663 -13.315) 15.469 13.328 ( 6.467 2.573 13.846) 15.497 14.443 ( -3.688 10.910 4.822) 12.486 15.016 ( 0.885 -6.491 -6.316) 9.100 15.152 ( 1.330 4.244 -15.750) 16.366 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.25 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 30.756 14.146 -1.966) 33.910 1.772 ( 25.061 18.655 14.417) 34.408 3.099 ( 40.165 23.032 20.536) 50.650 3.591 ( 4.394 -8.241 -1.201) 9.416 3.741 ( 1.055 -1.464 4.791) 5.120 3.830 ( -17.645 1.892 -4.424) 18.289 4.019 ( -7.902 -7.304 3.583) 11.341 4.306 ( -3.957 1.799 5.939) 7.360 4.422 ( -0.825 6.585 10.837) 12.708 4.472 ( -3.172 1.187 8.274) 8.941 5.078 ( 8.904 -8.485 15.120) 19.491 5.243 ( -2.598 -2.939 7.001) 8.025 5.362 ( 5.246 -17.329 -4.263) 18.601 5.772 ( 0.725 0.907 -6.031) 6.141 6.150 ( -4.649 -1.081 3.489) 5.912 6.317 ( -14.511 -1.992 -0.121) 14.648 6.449 ( 4.339 -5.577 -0.837) 7.115 6.484 ( 2.162 0.108 -1.269) 2.509 6.627 ( 4.756 3.937 2.307) 6.591 7.100 ( -31.093 7.347 -0.629) 31.956 7.236 ( 0.277 -4.419 -5.855) 7.341 7.536 ( 14.223 0.189 -6.854) 15.789 7.728 ( -18.182 -0.940 -2.749) 18.412 7.753 ( 8.495 -10.137 1.264) 13.286 8.157 ( 7.237 3.928 3.089) 8.794 8.282 ( 4.399 5.603 -6.341) 9.537 8.552 ( 4.015 -3.434 -0.436) 5.301 8.830 ( 7.203 -5.422 -5.462) 10.541 8.958 ( -8.335 2.391 -4.157) 9.616 9.055 ( 0.814 5.596 -6.944) 8.956 9.474 ( -2.346 -6.415 0.542) 6.852 9.882 ( -3.708 -5.252 -4.099) 7.625 9.940 ( -5.027 2.632 -3.167) 6.498 10.039 ( -4.376 11.120 -3.533) 12.462 10.312 ( -4.328 -5.977 6.076) 9.559 10.430 ( -8.970 -2.615 1.776) 9.510 10.529 ( 6.107 -3.067 2.350) 7.227 10.754 ( 1.643 7.511 -1.355) 7.807 10.927 ( 0.107 1.709 1.600) 2.343 11.168 ( -6.463 8.379 -2.442) 10.860 11.648 ( 5.928 -4.780 2.496) 8.013 11.774 ( 5.028 -13.245 1.048) 14.206 12.430 ( 1.698 6.833 -2.378) 7.431 12.651 ( 0.212 5.671 -10.880) 12.272 13.488 ( 10.028 4.135 12.093) 16.245 14.354 ( -5.715 10.969 4.754) 13.250 15.048 ( 2.213 -6.254 -6.952) 9.609 15.162 ( -0.164 -3.330 -10.604) 11.115 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.38 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 32.946 7.723 -3.154) 33.986 2.289 ( 26.593 12.472 9.834) 30.975 3.239 ( -19.933 9.061 2.824) 22.077 3.365 ( -25.261 4.128 3.328) 25.812 3.713 ( 5.924 -8.761 1.606) 10.697 3.921 ( -3.567 -10.693 1.608) 11.386 4.143 ( 23.237 7.012 5.662) 24.924 4.313 ( 13.409 10.724 7.476) 18.727 4.345 ( -4.417 8.471 4.198) 10.435 4.569 ( 9.760 1.224 4.810) 10.949 5.178 ( -1.895 -0.859 6.660) 6.978 5.362 ( 15.115 -17.241 7.393) 24.091 5.484 ( 6.398 -17.730 -0.392) 18.854 5.788 ( 0.870 -1.616 -1.519) 2.383 6.009 ( -9.571 -1.284 0.754) 9.687 6.140 ( -0.316 4.494 1.507) 4.751 6.325 ( -36.235 8.121 4.975) 37.465 6.456 ( -1.654 3.631 -0.834) 4.076 6.520 ( -2.044 9.049 -0.976) 9.328 6.798 ( 2.119 -9.591 0.881) 9.862 7.242 ( -6.654 -4.379 -6.004) 9.975 7.269 ( -12.442 1.128 -4.092) 13.146 7.847 ( 13.071 -4.435 -4.646) 14.564 7.955 ( 8.393 -12.306 -0.422) 14.901 8.290 ( 5.694 1.314 0.982) 5.925 8.360 ( 2.041 0.177 -9.054) 9.283 8.648 ( 4.767 -3.465 -0.090) 5.894 8.791 ( -7.413 0.745 -5.296) 9.140 8.973 ( 6.266 1.880 -3.922) 7.627 9.057 ( 0.813 8.798 -2.851) 9.285 9.460 ( 1.401 -5.816 1.033) 6.070 9.754 ( -9.595 -0.758 -4.007) 10.426 9.839 ( -4.213 3.704 -0.016) 5.610 9.918 ( -7.388 8.593 -2.780) 11.668 10.202 ( -3.907 -3.102 4.788) 6.915 10.265 ( -6.104 -11.590 3.387) 13.530 10.682 ( 6.965 3.892 -2.537) 8.372 10.797 ( 1.886 7.758 -2.297) 8.308 10.924 ( 0.088 2.436 2.132) 3.239 11.053 ( -5.339 9.706 2.637) 11.387 11.759 ( 5.036 -8.324 1.320) 9.818 11.844 ( 1.661 -14.147 0.442) 14.251 12.477 ( 3.154 7.209 -1.782) 8.068 12.623 ( -2.857 4.840 -5.992) 8.215 13.721 ( 13.123 6.234 7.356) 16.285 14.204 ( -9.547 9.059 3.644) 13.656 15.094 ( 2.251 -6.005 -6.957) 9.462 15.153 ( -0.730 -5.341 -8.043) 9.682 ======================= Grid point 76 (30/120) ======================= q-point: (-0.50 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -17.842 2.458 0.433) 18.016 2.635 ( 17.842 2.458 0.433) 18.016 2.896 ( -13.970 12.781 5.343) 19.673 2.896 ( 13.970 12.781 5.343) 19.673 3.831 ( -5.559 -9.738 2.649) 11.522 3.831 ( 5.559 -9.738 2.649) 11.522 4.248 ( -3.091 6.585 1.055) 7.351 4.248 ( 3.091 6.585 1.055) 7.351 4.698 ( -3.068 3.139 3.247) 5.460 4.698 ( 3.068 3.139 3.247) 5.460 5.405 ( -23.230 -1.243 5.525) 23.911 5.405 ( 23.230 -1.243 5.525) 23.911 5.599 ( -12.317 -9.653 5.898) 16.724 5.599 ( 12.317 -9.653 5.898) 16.724 5.885 ( -5.033 -3.524 0.228) 6.148 5.885 ( 5.033 -3.524 0.228) 6.148 6.331 ( -12.550 3.474 -1.636) 13.124 6.331 ( 12.550 3.474 -1.636) 13.124 6.599 ( -10.879 10.805 4.626) 16.016 6.599 ( 10.879 10.805 4.626) 16.016 7.193 ( -4.324 -9.310 -7.350) 12.625 7.193 ( 4.324 -9.310 -7.350) 12.625 8.019 ( -3.121 -8.326 -1.211) 8.974 8.019 ( 3.121 -8.326 -1.211) 8.974 8.364 ( -1.541 -0.042 -5.129) 5.356 8.364 ( 1.541 -0.042 -5.129) 5.356 8.696 ( -1.922 -2.931 -5.522) 6.540 8.696 ( 1.922 -2.931 -5.522) 6.540 9.068 ( -2.477 7.230 -0.783) 7.683 9.068 ( 2.477 7.230 -0.783) 7.683 9.551 ( -8.480 -1.820 -0.412) 8.683 9.551 ( 8.480 -1.820 -0.412) 8.683 9.811 ( -2.163 5.535 0.033) 5.943 9.811 ( 2.163 5.535 0.033) 5.943 10.186 ( -1.852 -7.243 2.454) 7.868 10.186 ( 1.852 -7.243 2.454) 7.868 10.786 ( -3.310 5.546 -4.113) 7.657 10.786 ( 3.310 5.546 -4.113) 7.657 10.961 ( -3.700 7.033 4.462) 9.114 10.961 ( 3.700 7.033 4.462) 9.114 11.835 ( -2.419 -11.719 0.529) 11.977 11.835 ( 2.419 -11.719 0.529) 11.977 12.551 ( -4.086 5.788 -2.704) 7.584 12.551 ( 4.086 5.788 -2.704) 7.584 13.982 ( -12.715 7.577 4.176) 15.379 13.982 ( 12.715 7.577 4.176) 15.379 15.132 ( -1.466 -5.778 -7.115) 9.282 15.132 ( 1.466 -5.778 -7.115) 9.282 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 28.386 14.194) 31.737 1.615 ( 0.000 29.266 16.863) 33.777 2.861 ( 0.000 50.976 13.446) 52.719 3.196 ( 0.000 -14.484 1.201) 14.534 3.307 ( 0.000 -18.755 7.757) 20.296 4.172 ( 0.000 5.174 -6.643) 8.421 4.197 ( 0.000 -5.928 14.004) 15.207 4.362 ( 0.000 6.117 7.901) 9.992 4.562 ( 0.000 2.300 3.578) 4.253 4.696 ( 0.000 -15.378 -6.428) 16.667 4.863 ( 0.000 -12.254 2.263) 12.461 5.144 ( 0.000 -2.686 14.057) 14.311 5.233 ( 0.000 -0.251 20.194) 20.195 5.541 ( 0.000 -3.251 -0.156) 3.255 5.716 ( 0.000 -11.684 -8.840) 14.652 6.153 ( 0.000 -21.200 10.087) 23.477 6.585 ( 0.000 4.190 -0.952) 4.296 6.720 ( 0.000 -0.342 1.868) 1.899 6.907 ( 0.000 -4.219 -4.851) 6.429 7.026 ( 0.000 -7.102 -3.888) 8.097 7.317 ( 0.000 -0.125 4.645) 4.647 7.429 ( 0.000 -2.015 -1.819) 2.715 7.699 ( 0.000 13.070 -11.851) 17.643 7.965 ( 0.000 3.058 -0.839) 3.171 8.146 ( 0.000 -4.036 -1.003) 4.159 8.368 ( 0.000 -3.427 -5.061) 6.112 8.491 ( 0.000 9.225 -2.652) 9.598 8.555 ( 0.000 6.838 0.192) 6.841 9.080 ( 0.000 2.682 -6.646) 7.166 9.180 ( 0.000 0.274 -7.403) 7.408 9.474 ( 0.000 -3.657 3.878) 5.330 9.736 ( 0.000 -9.340 5.181) 10.681 10.018 ( 0.000 -0.238 -0.388) 0.455 10.085 ( 0.000 -1.132 -1.265) 1.698 10.357 ( 0.000 10.718 -5.230) 11.926 10.562 ( 0.000 6.180 5.661) 8.381 10.690 ( 0.000 -1.772 1.657) 2.425 10.922 ( 0.000 2.297 -3.866) 4.497 10.988 ( 0.000 14.821 -3.868) 15.317 11.106 ( 0.000 -13.552 -6.939) 15.225 11.389 ( 0.000 -3.140 -0.561) 3.189 11.872 ( 0.000 12.782 6.479) 14.330 12.256 ( 0.000 -13.884 -3.353) 14.283 12.681 ( 0.000 -3.915 -2.171) 4.476 13.453 ( 0.000 17.091 6.025) 18.122 14.677 ( 0.000 5.221 -1.873) 5.547 14.775 ( 0.000 -9.440 -1.867) 9.623 15.255 ( 0.000 -0.898 -12.888) 12.920 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.12 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 6.265 30.376 6.290) 31.647 1.865 ( 15.972 26.329 17.383) 35.362 3.112 ( 21.472 32.565 10.007) 40.270 3.252 ( 7.441 -4.770 3.511) 9.510 3.400 ( 8.643 -16.421 6.036) 19.514 4.096 ( -6.248 1.097 -0.534) 6.366 4.257 ( 0.545 3.533 6.262) 7.210 4.271 ( -5.948 2.845 6.999) 9.616 4.501 ( -5.137 -2.764 4.022) 7.086 4.636 ( -4.352 -0.635 1.608) 4.683 4.861 ( 1.359 -16.127 -1.836) 16.288 5.042 ( -7.673 -2.990 16.768) 18.681 5.226 ( -0.913 -2.064 14.567) 14.740 5.689 ( 6.738 -5.536 -6.525) 10.891 5.781 ( 10.613 -11.032 -2.877) 15.576 6.113 ( -3.381 -19.329 9.564) 21.829 6.583 ( -0.358 4.286 -1.152) 4.452 6.626 ( -9.690 0.666 1.047) 9.769 6.821 ( -8.674 -0.961 -0.981) 8.782 7.154 ( 11.661 -7.839 -1.960) 14.187 7.214 ( -3.721 2.798 -4.279) 6.323 7.340 ( 1.214 -0.384 0.583) 1.400 7.806 ( -7.231 4.920 -8.532) 12.218 7.979 ( -1.985 1.594 -2.313) 3.439 8.238 ( 1.825 7.102 -3.206) 8.003 8.339 ( 2.512 -0.539 -1.238) 2.852 8.421 ( 2.653 0.075 -5.616) 6.211 8.590 ( -0.204 0.450 1.113) 1.218 9.069 ( 0.262 1.898 -6.373) 6.655 9.130 ( -3.715 1.015 -6.687) 7.717 9.441 ( -2.692 -3.171 1.686) 4.488 9.719 ( -0.483 -9.154 5.159) 10.519 9.998 ( -1.514 -0.157 0.113) 1.526 10.187 ( 4.326 -2.835 -0.770) 5.229 10.391 ( 4.826 11.694 -6.340) 14.150 10.478 ( -7.271 4.405 4.112) 9.443 10.601 ( -8.629 -1.577 2.030) 9.003 10.907 ( 0.047 5.596 -3.596) 6.652 11.003 ( 0.025 6.023 1.021) 6.109 11.157 ( 4.203 -5.629 -11.160) 13.187 11.422 ( 3.418 -4.122 0.524) 5.381 11.840 ( -2.729 13.335 8.392) 15.991 12.295 ( 3.541 -12.845 -2.857) 13.627 12.688 ( 0.265 -4.419 -1.670) 4.731 13.518 ( 6.350 16.534 5.576) 18.568 14.665 ( -1.567 7.267 -1.544) 7.592 14.794 ( 1.811 -10.922 -2.471) 11.343 15.194 ( -5.287 -1.294 -11.401) 12.634 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.25 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 21.331 24.881 -1.331) 32.800 2.213 ( 19.142 22.801 14.477) 33.104 3.319 ( 6.356 -16.477 -1.012) 17.690 3.574 ( 6.799 -12.801 0.831) 14.519 3.719 ( 21.434 29.109 9.789) 37.451 3.897 ( -12.633 6.227 1.490) 14.163 4.034 ( -6.270 8.064 6.491) 12.103 4.325 ( 2.127 1.116 5.301) 5.820 4.483 ( 4.403 0.552 3.247) 5.499 4.572 ( -2.621 4.277 6.093) 7.892 4.868 ( -0.798 -11.562 8.638) 14.454 4.977 ( 3.289 -16.149 5.419) 17.349 5.194 ( -1.970 -1.562 9.868) 10.183 5.753 ( 1.791 -1.917 -4.587) 5.284 6.041 ( 4.098 -9.930 4.932) 11.821 6.094 ( 10.177 -17.075 -2.439) 20.027 6.329 ( -15.306 2.104 0.728) 15.467 6.593 ( 0.972 5.276 -1.309) 5.523 6.758 ( -0.123 2.129 1.562) 2.643 7.142 ( -5.458 0.795 -5.331) 7.670 7.284 ( -19.895 0.287 -3.225) 20.157 7.410 ( 7.205 -6.651 -0.890) 9.846 7.545 ( 3.611 -1.335 -1.351) 4.080 7.805 ( -16.744 0.908 -2.779) 16.998 8.251 ( 2.824 4.435 -2.535) 5.837 8.369 ( -0.744 3.636 -5.684) 6.788 8.506 ( 6.117 -1.337 -1.626) 6.469 8.713 ( 8.553 -5.567 -3.886) 10.920 9.011 ( -4.202 3.173 -2.828) 5.977 9.156 ( 4.570 2.989 -6.114) 8.198 9.394 ( -1.469 -1.304 0.715) 2.090 9.723 ( 0.412 -9.096 -0.392) 9.114 9.949 ( -3.385 -0.472 1.684) 3.810 10.182 ( -3.084 -0.575 -0.772) 3.231 10.264 ( -12.175 3.289 3.462) 13.078 10.373 ( -13.412 -1.466 3.975) 14.065 10.581 ( 10.096 5.877 -6.067) 13.163 10.931 ( 1.610 6.728 -2.606) 7.393 11.002 ( 0.664 3.574 0.547) 3.676 11.217 ( 1.330 0.088 -10.235) 10.322 11.517 ( 5.681 -4.570 1.757) 7.500 11.785 ( -2.576 11.923 10.205) 15.904 12.377 ( 4.357 -10.448 -1.308) 11.395 12.675 ( -1.713 -5.283 0.111) 5.555 13.694 ( 11.215 15.661 3.718) 19.618 14.598 ( -5.659 10.482 -1.171) 11.969 14.843 ( 3.091 -12.270 -3.759) 13.200 15.090 ( -4.481 -3.738 -9.261) 10.947 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.38 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 26.104 17.159 -2.767) 31.360 2.599 ( 18.779 16.527 10.092) 26.975 3.418 ( -2.232 -6.484 2.195) 7.200 3.498 ( -17.976 11.540 0.724) 21.374 3.578 ( -7.454 4.548 1.088) 8.799 3.689 ( -4.470 -8.768 3.677) 10.506 4.294 ( 4.048 5.594 1.978) 7.182 4.430 ( -1.561 0.999 1.921) 2.669 4.570 ( 16.890 8.458 10.869) 21.793 4.629 ( 8.605 4.459 2.483) 10.005 4.961 ( 7.869 -18.862 7.526) 21.780 5.046 ( 1.677 -19.737 1.988) 19.907 5.241 ( 12.185 5.957 10.122) 16.924 5.770 ( 0.536 1.028 -1.195) 1.664 5.994 ( -9.541 0.976 -0.246) 9.593 6.188 ( 6.869 -1.414 3.158) 7.691 6.345 ( 9.076 -12.236 -8.159) 17.281 6.555 ( -32.360 11.974 2.562) 34.600 6.631 ( 1.145 2.020 -0.737) 2.436 6.813 ( -4.237 3.235 3.927) 6.621 7.057 ( -4.964 -1.997 -5.183) 7.449 7.315 ( -20.659 -1.497 -0.554) 20.721 7.663 ( 7.405 -12.883 -1.129) 14.903 7.722 ( 7.791 -9.021 -2.406) 12.160 8.322 ( 3.686 2.164 -2.525) 4.964 8.388 ( 1.480 2.456 -8.518) 8.988 8.586 ( 2.204 -2.535 -3.225) 4.657 8.751 ( -4.889 -3.978 -5.037) 8.068 9.056 ( 8.913 6.337 -1.354) 11.020 9.239 ( 2.984 6.620 -4.497) 8.541 9.417 ( 4.535 1.590 1.319) 4.983 9.701 ( -3.460 -4.646 -5.607) 8.062 9.883 ( -3.390 -0.710 3.173) 4.697 10.015 ( -11.905 -0.750 5.435) 13.108 10.094 ( -6.235 -0.331 1.855) 6.514 10.135 ( -7.433 -4.663 3.631) 9.496 10.757 ( 7.420 4.400 -5.174) 10.059 10.930 ( -1.680 4.820 -3.227) 6.039 11.056 ( 4.326 6.103 -0.792) 7.523 11.208 ( -2.082 3.212 -6.560) 7.595 11.623 ( 4.613 -2.496 2.966) 6.026 11.740 ( -2.066 7.132 8.661) 11.409 12.461 ( 4.205 -8.172 0.765) 9.222 12.622 ( -3.525 -6.052 1.877) 7.251 13.943 ( 13.509 14.500 1.150) 19.851 14.439 ( -10.190 12.096 -1.199) 15.862 14.909 ( 3.351 -11.416 -5.085) 12.939 15.022 ( -2.693 -6.695 -7.607) 10.485 ======================= Grid point 85 (35/120) ======================= q-point: (-0.50 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -12.338 9.395 0.965) 15.538 2.761 ( 12.338 9.395 0.965) 15.538 3.236 ( -6.171 18.515 4.807) 20.099 3.236 ( 6.171 18.515 4.807) 20.099 3.616 ( -4.789 -10.105 2.239) 11.404 3.616 ( 4.789 -10.105 2.239) 11.404 4.346 ( -3.428 1.867 1.010) 4.032 4.346 ( 3.428 1.867 1.010) 4.032 4.739 ( -3.450 0.218 5.385) 6.399 4.739 ( 3.450 0.218 5.385) 6.399 5.061 ( -2.003 -21.835 2.621) 22.083 5.061 ( 2.003 -21.835 2.621) 22.083 5.723 ( -22.123 11.728 6.436) 25.854 5.723 ( 22.124 11.728 6.436) 25.854 5.893 ( -13.955 6.626 0.316) 15.452 5.893 ( 13.955 6.626 0.316) 15.452 6.380 ( -6.653 -0.974 -3.988) 7.818 6.380 ( 6.653 -0.974 -3.988) 7.818 6.726 ( -7.125 -2.626 3.609) 8.408 6.726 ( 7.125 -2.626 3.609) 8.408 7.025 ( -4.892 -1.076 -2.842) 5.759 7.025 ( 4.892 -1.076 -2.842) 5.759 7.780 ( -2.316 -13.777 -1.408) 14.041 7.780 ( 2.316 -13.777 -1.408) 14.041 8.385 ( -2.274 2.427 -5.598) 6.512 8.385 ( 2.274 2.427 -5.598) 6.512 8.641 ( -4.564 -2.958 -5.640) 7.835 8.641 ( 4.564 -2.958 -5.640) 7.835 9.223 ( -5.575 7.676 -2.471) 9.804 9.223 ( 5.575 7.676 -2.471) 9.804 9.569 ( -9.440 2.007 -1.820) 9.821 9.569 ( 9.440 2.007 -1.820) 9.821 9.849 ( -3.504 -1.462 5.126) 6.379 9.849 ( 3.504 -1.462 5.126) 6.379 10.052 ( -2.167 -5.315 2.412) 6.226 10.052 ( 2.167 -5.315 2.412) 6.226 10.872 ( -4.304 4.215 -4.186) 7.336 10.872 ( 4.304 4.215 -4.186) 7.336 11.144 ( -4.174 5.718 -3.028) 7.700 11.144 ( 4.174 5.718 -3.028) 7.700 11.695 ( -2.776 1.573 5.428) 6.297 11.695 ( 2.776 1.573 5.428) 6.297 12.544 ( -4.184 -6.825 2.133) 8.285 12.544 ( 4.184 -6.825 2.133) 8.285 14.208 ( -12.928 13.186 -0.625) 18.477 14.208 ( 12.928 13.186 -0.625) 18.477 14.970 ( -2.805 -9.278 -6.309) 11.565 14.970 ( 2.805 -9.278 -6.309) 11.565 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.000 27.988 7.612) 29.005 2.239 ( 0.000 29.547 11.371) 31.659 2.735 ( 0.000 -24.026 3.249) 24.245 2.836 ( 0.000 -25.840 9.241) 27.443 3.816 ( 0.000 28.844 3.124) 29.012 4.148 ( 0.000 -8.979 -6.368) 11.008 4.275 ( 0.000 15.464 9.056) 17.921 4.469 ( 0.000 -3.353 -5.109) 6.111 4.481 ( 0.000 2.353 0.150) 2.358 4.645 ( 0.000 -11.335 7.884) 13.807 4.667 ( 0.000 12.863 7.222) 14.752 5.054 ( 0.000 -10.830 17.447) 20.536 5.226 ( 0.000 -0.401 18.054) 18.058 5.339 ( 0.000 -18.460 1.075) 18.491 5.567 ( 0.000 5.916 -1.302) 6.058 5.770 ( 0.000 -13.519 2.836) 13.813 6.674 ( 0.000 4.606 -0.968) 4.706 6.745 ( 0.000 3.181 1.295) 3.434 6.786 ( 0.000 -6.156 -2.440) 6.622 6.858 ( 0.000 -7.370 0.336) 7.377 7.352 ( 0.000 2.129 -0.789) 2.270 7.391 ( 0.000 -1.682 -2.411) 2.940 7.935 ( 0.000 8.738 -9.215) 12.699 8.013 ( 0.000 0.736 -3.793) 3.864 8.117 ( 0.000 1.167 -1.190) 1.667 8.222 ( 0.000 -7.902 -1.941) 8.137 8.648 ( 0.000 5.094 -2.735) 5.782 8.679 ( 0.000 2.523 -2.164) 3.324 9.155 ( 0.000 3.026 -7.484) 8.072 9.179 ( 0.000 -0.139 -4.260) 4.263 9.435 ( 0.000 1.602 4.548) 4.822 9.552 ( 0.000 -8.140 3.130) 8.721 10.027 ( 0.000 0.961 -0.399) 1.040 10.054 ( 0.000 -1.533 -0.650) 1.665 10.560 ( 0.000 8.978 -8.347) 12.259 10.642 ( 0.000 1.399 2.263) 2.661 10.674 ( 0.000 0.137 3.155) 3.158 10.789 ( 0.000 -10.777 -8.231) 13.561 11.086 ( 0.000 6.873 -2.653) 7.367 11.215 ( 0.000 -2.413 -6.216) 6.668 11.456 ( 0.000 17.519 1.171) 17.558 11.886 ( 0.000 -20.445 -2.031) 20.546 12.169 ( 0.000 15.142 7.767) 17.017 12.477 ( 0.000 -13.527 5.931) 14.771 13.894 ( 0.000 22.927 -1.369) 22.968 14.360 ( 0.000 -20.896 -4.010) 21.277 14.949 ( 0.000 11.199 -1.969) 11.371 15.154 ( 0.000 -7.889 -6.326) 10.112 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.12 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 4.998 29.614 2.862) 30.169 2.426 ( 13.472 26.739 12.526) 32.456 2.761 ( 4.102 -25.097 0.431) 25.434 2.967 ( 10.783 -23.825 8.844) 27.607 3.942 ( 11.347 21.011 2.607) 24.021 4.174 ( 2.196 -0.891 -3.526) 4.249 4.292 ( 2.321 10.182 6.810) 12.468 4.428 ( -5.676 4.488 2.237) 7.574 4.455 ( -3.549 3.386 -1.870) 5.250 4.565 ( -2.055 -1.686 5.835) 6.412 4.672 ( -1.499 -2.367 6.795) 7.350 4.931 ( -9.943 -11.288 15.929) 21.909 5.223 ( 0.339 3.004 14.033) 14.355 5.433 ( 7.667 -17.485 4.937) 19.720 5.659 ( 8.376 0.445 -1.935) 8.608 5.768 ( 0.069 -10.382 1.409) 10.477 6.638 ( -6.323 3.001 -0.576) 7.023 6.708 ( -4.351 2.234 -1.412) 5.090 6.749 ( -0.060 -0.397 0.336) 0.523 6.916 ( 5.074 -10.942 1.145) 12.115 7.308 ( -1.638 3.934 -2.796) 5.097 7.357 ( -1.573 -0.496 -1.580) 2.284 7.914 ( -5.181 5.014 -9.254) 11.731 7.988 ( -4.413 -1.462 -5.488) 7.192 8.283 ( 13.128 1.534 -0.902) 13.248 8.344 ( 10.541 -4.112 -2.293) 11.544 8.478 ( -11.115 7.969 -2.923) 13.986 8.596 ( -9.611 -2.523 -1.488) 10.047 9.117 ( -2.088 2.207 -6.189) 6.895 9.144 ( -1.988 -0.056 -6.032) 6.351 9.421 ( -1.229 2.328 5.079) 5.721 9.540 ( -0.910 -7.904 5.625) 9.743 10.032 ( -0.043 3.176 -0.795) 3.274 10.112 ( 2.663 -4.038 -1.055) 4.951 10.552 ( -8.289 2.263 2.030) 8.829 10.575 ( -5.351 0.668 -0.282) 5.400 10.612 ( 1.033 8.095 -4.735) 9.435 10.813 ( 2.805 -10.242 -8.102) 13.357 11.086 ( -0.096 6.901 -2.735) 7.424 11.219 ( 0.173 -3.685 -5.653) 6.751 11.519 ( 5.831 17.722 1.209) 18.696 11.940 ( 4.947 -19.830 -1.542) 20.496 12.153 ( -1.534 15.849 8.481) 18.040 12.475 ( -0.437 -14.037 6.240) 15.368 13.943 ( 4.933 22.139 -1.539) 22.734 14.393 ( 3.247 -20.090 -4.201) 20.780 14.923 ( -2.695 10.111 -2.115) 10.675 15.105 ( -4.675 -6.854 -6.182) 10.347 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.25 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 14.771 26.525 -1.858) 30.417 2.707 ( 14.241 23.863 11.121) 29.932 2.905 ( 10.013 -22.787 -1.715) 24.949 3.191 ( 10.492 -21.592 5.839) 24.706 4.038 ( -5.504 11.436 -0.061) 12.691 4.204 ( -12.634 11.479 3.943) 17.519 4.288 ( 2.364 -6.982 -0.330) 7.379 4.391 ( 2.323 -1.642 4.191) 5.065 4.426 ( 9.634 16.680 5.951) 20.161 4.593 ( 2.365 -1.529 4.751) 5.523 4.634 ( -1.112 -5.648 4.104) 7.070 4.758 ( -4.607 -9.117 13.566) 16.982 5.264 ( 5.351 10.847 10.558) 16.055 5.625 ( 12.140 -18.133 6.817) 22.861 5.784 ( 2.024 -1.903 -1.660) 3.237 5.861 ( 11.325 -7.283 -2.848) 13.762 6.429 ( -12.530 7.241 -0.378) 14.477 6.598 ( -6.179 -7.053 -2.533) 9.713 6.802 ( 3.500 7.502 1.194) 8.363 7.028 ( 4.577 -13.097 -0.952) 13.906 7.266 ( -2.554 7.133 -2.186) 7.885 7.393 ( 2.604 -3.942 -3.308) 5.768 7.632 ( -20.761 7.783 -1.330) 22.212 7.767 ( -18.571 -4.413 -3.295) 19.370 8.340 ( -0.549 4.221 -6.709) 7.945 8.413 ( -3.174 -1.514 -5.877) 6.849 8.505 ( 7.705 2.899 -2.260) 8.537 8.600 ( 8.344 -5.223 -2.418) 10.137 9.096 ( 1.253 4.641 -3.262) 5.809 9.173 ( 4.988 -1.698 -6.519) 8.383 9.407 ( 0.629 3.160 4.776) 5.762 9.534 ( 0.840 -8.256 5.289) 9.840 9.987 ( -4.663 4.297 0.262) 6.347 10.100 ( -3.735 -5.640 -0.414) 6.777 10.332 ( -13.180 2.322 3.226) 13.766 10.360 ( -13.325 -0.545 3.006) 13.670 10.730 ( 7.658 7.901 -7.575) 13.358 10.901 ( 5.746 -8.081 -7.422) 12.386 11.079 ( -0.782 6.853 -3.317) 7.654 11.214 ( -0.749 -4.831 -5.358) 7.253 11.657 ( 7.569 17.359 2.251) 19.071 12.053 ( 5.517 -15.409 0.683) 16.381 12.111 ( -2.230 13.815 8.827) 16.545 12.450 ( -2.271 -14.800 6.825) 16.455 14.082 ( 8.928 19.913 -2.116) 21.925 14.483 ( 5.704 -17.569 -4.749) 19.073 14.841 ( -5.691 8.406 -2.463) 10.445 14.992 ( -6.135 -5.857 -6.025) 10.404 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.38 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 18.021 20.108 -2.560) 27.123 2.960 ( 10.260 17.096 7.069) 21.154 3.124 ( 11.112 -16.698 -0.291) 20.059 3.335 ( 3.082 -16.719 2.853) 17.238 3.852 ( -10.587 19.175 2.646) 22.063 3.935 ( -12.672 18.838 5.134) 23.277 4.243 ( -3.446 -13.783 2.976) 14.516 4.319 ( -7.076 -14.232 4.191) 16.437 4.634 ( 4.811 -1.312 1.238) 5.138 4.657 ( 5.828 -0.003 5.260) 7.851 4.686 ( 4.256 -3.027 5.857) 7.847 4.756 ( 0.669 -6.054 5.927) 8.499 5.536 ( 23.278 19.158 7.675) 31.109 5.853 ( 5.890 3.199 -2.271) 7.077 5.921 ( 15.694 -8.319 3.873) 18.180 6.093 ( 11.697 -11.683 -2.330) 16.696 6.205 ( -8.148 8.084 -1.379) 11.560 6.459 ( -7.848 -14.122 -3.613) 16.556 6.781 ( -16.472 9.003 1.801) 18.858 6.879 ( -16.173 1.946 0.117) 16.290 7.225 ( -3.621 11.078 -1.875) 11.804 7.260 ( -8.353 -0.042 0.142) 8.354 7.419 ( -4.721 -9.279 -0.840) 10.445 7.507 ( 0.191 -11.321 0.134) 11.323 8.382 ( 3.783 3.284 -6.323) 8.067 8.430 ( 3.559 -0.116 -8.751) 9.447 8.565 ( -0.968 1.794 -3.353) 3.924 8.651 ( -2.695 -5.154 -4.070) 7.099 9.210 ( 9.651 7.676 -2.877) 12.663 9.316 ( 8.412 -0.276 -5.588) 10.102 9.463 ( 4.712 2.562 1.992) 5.722 9.570 ( 1.548 -6.929 -0.877) 7.154 9.873 ( -5.532 2.955 4.665) 7.816 9.986 ( -7.081 -5.703 1.551) 9.223 10.063 ( -13.108 1.346 6.690) 14.778 10.099 ( -11.599 -0.953 4.067) 12.329 10.876 ( 6.663 6.691 -6.626) 11.536 11.019 ( 5.700 -6.288 -6.995) 10.998 11.050 ( -2.149 6.513 -4.328) 8.110 11.185 ( -2.339 -5.298 -5.794) 8.192 11.802 ( 6.891 17.017 4.573) 18.921 12.028 ( -4.444 17.143 9.025) 19.877 12.183 ( 5.806 -16.985 2.757) 18.160 12.386 ( -4.137 -15.378 6.698) 17.276 14.281 ( 10.809 16.760 -2.955) 20.161 14.601 ( 4.918 -9.912 -5.733) 12.462 14.704 ( -6.876 5.091 -2.634) 8.952 14.874 ( -5.935 -7.689 -5.772) 11.298 ======================= Grid point 94 (40/120) ======================= q-point: (-0.50 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -8.027 13.637 1.087) 15.862 3.009 ( 8.027 13.637 1.087) 15.862 3.297 ( -5.874 -12.663 0.712) 13.977 3.297 ( 5.874 -12.663 0.712) 13.977 3.757 ( -3.290 22.944 5.782) 23.888 3.757 ( 3.290 22.944 5.782) 23.888 4.218 ( -1.948 -16.942 3.769) 17.465 4.218 ( 1.948 -16.942 3.769) 17.465 4.712 ( -2.240 -2.143 3.695) 4.823 4.712 ( 2.240 -2.143 3.695) 4.823 4.731 ( -1.145 -5.850 3.689) 7.010 4.731 ( 1.145 -5.850 3.689) 7.010 5.954 ( -9.407 11.547 -2.460) 15.096 5.954 ( 9.407 11.547 -2.460) 15.096 6.122 ( -22.811 6.046 -0.531) 23.605 6.122 ( 22.811 6.046 -0.531) 23.605 6.288 ( -10.722 -1.152 -0.056) 10.784 6.288 ( 10.722 -1.152 -0.056) 10.784 6.516 ( -19.985 -13.328 5.132) 24.563 6.516 ( 19.985 -13.328 5.132) 24.563 7.182 ( -2.355 12.284 -0.611) 12.523 7.182 ( 2.355 12.284 -0.611) 12.523 7.473 ( -3.997 -14.915 -1.277) 15.494 7.473 ( 3.997 -14.915 -1.277) 15.494 8.463 ( -3.183 4.666 -5.677) 8.009 8.463 ( 3.183 4.666 -5.677) 8.009 8.562 ( -4.174 -4.462 -5.730) 8.376 8.562 ( 4.174 -4.462 -5.730) 8.376 9.392 ( -5.169 8.284 -4.100) 10.590 9.392 ( 5.169 8.284 -4.100) 10.590 9.546 ( -3.439 -5.261 -5.347) 8.252 9.546 ( 3.439 -5.261 -5.347) 8.252 9.847 ( -4.884 2.956 8.733) 10.434 9.847 ( 4.884 2.956 8.733) 10.434 9.944 ( -3.402 -5.298 5.974) 8.679 9.944 ( 3.402 -5.298 5.974) 8.679 10.985 ( -4.385 6.430 -5.510) 9.536 10.985 ( 4.385 6.430 -5.510) 9.536 11.120 ( -4.231 -5.649 -6.465) 9.571 11.120 ( 4.231 -5.649 -6.465) 9.571 11.927 ( -5.760 17.147 7.255) 19.489 11.927 ( 5.760 17.147 7.255) 19.489 12.292 ( -5.217 -16.105 5.216) 17.714 12.292 ( 5.217 -16.105 5.216) 17.714 14.493 ( -10.296 13.394 -3.696) 17.293 14.493 ( 10.296 13.394 -3.696) 17.293 14.753 ( -6.276 -11.412 -5.252) 14.043 14.753 ( 6.276 -11.412 -5.252) 14.043 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 0.000 32.701) 32.701 1.475 ( 0.000 0.000 33.517) 33.517 2.111 ( 0.000 0.000 46.161) 46.161 3.629 ( 0.000 0.000 5.661) 5.661 3.842 ( 0.000 0.000 -5.169) 5.169 3.869 ( 0.000 0.000 6.714) 6.714 4.385 ( 0.000 0.000 -2.045) 2.045 4.562 ( 0.000 0.000 9.742) 9.742 5.159 ( 0.000 0.000 6.600) 6.600 5.183 ( 0.000 0.000 8.689) 8.689 5.259 ( 0.000 0.000 -1.790) 1.790 5.297 ( 0.000 0.000 -19.014) 19.014 5.509 ( 0.000 0.000 0.219) 0.219 5.745 ( 0.000 0.000 2.981) 2.981 5.847 ( 0.000 0.000 9.742) 9.742 6.439 ( 0.000 0.000 -0.432) 0.432 6.457 ( 0.000 0.000 3.682) 3.682 6.782 ( 0.000 0.000 2.744) 2.744 6.888 ( 0.000 0.000 7.180) 7.180 7.101 ( 0.000 0.000 4.496) 4.496 7.126 ( 0.000 0.000 2.891) 2.891 7.531 ( 0.000 0.000 1.271) 1.271 7.830 ( 0.000 0.000 3.305) 3.305 7.870 ( 0.000 0.000 -1.199) 1.199 7.950 ( 0.000 0.000 -6.360) 6.360 8.019 ( 0.000 0.000 -6.279) 6.279 8.390 ( 0.000 0.000 -24.038) 24.038 8.588 ( 0.000 0.000 -2.557) 2.557 8.798 ( 0.000 0.000 -5.104) 5.104 8.998 ( 0.000 0.000 -3.898) 3.898 9.631 ( 0.000 0.000 -2.469) 2.469 9.867 ( 0.000 0.000 -3.207) 3.207 9.895 ( 0.000 0.000 -8.899) 8.899 9.995 ( 0.000 0.000 -2.910) 2.910 10.153 ( 0.000 0.000 1.082) 1.082 10.647 ( 0.000 0.000 1.041) 1.041 10.786 ( 0.000 0.000 -2.051) 2.051 10.793 ( 0.000 0.000 -3.457) 3.457 10.891 ( 0.000 0.000 3.370) 3.370 11.349 ( 0.000 0.000 -20.386) 20.386 11.491 ( 0.000 0.000 -1.389) 1.389 11.605 ( 0.000 0.000 6.250) 6.250 12.225 ( 0.000 0.000 -1.801) 1.801 12.274 ( 0.000 0.000 0.753) 0.753 13.467 ( 0.000 0.000 12.118) 12.118 14.504 ( 0.000 0.000 4.915) 4.915 14.755 ( 0.000 0.000 -0.125) 0.125 14.957 ( 0.000 0.000 -8.495) 8.495 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.12 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -8.390 0.000 32.723) 33.781 1.558 ( 14.705 0.000 29.167) 32.664 2.672 ( 40.575 0.000 38.341) 55.824 3.588 ( -1.620 0.000 1.735) 2.374 3.817 ( -2.786 0.000 -4.936) 5.668 3.940 ( 2.995 0.000 7.465) 8.043 4.333 ( -4.650 0.000 -2.366) 5.218 4.485 ( -6.082 0.000 8.720) 10.631 4.884 ( -23.277 0.000 8.532) 24.792 5.059 ( -10.041 0.000 11.664) 15.390 5.289 ( 1.797 0.000 4.785) 5.111 5.292 ( 5.036 0.000 -13.869) 14.755 5.507 ( 0.929 0.000 -3.606) 3.723 5.751 ( -7.323 0.000 18.408) 19.811 6.020 ( 16.305 0.000 -3.254) 16.627 6.412 ( -1.526 0.000 0.831) 1.738 6.499 ( 3.733 0.000 3.023) 4.803 6.714 ( -23.140 0.000 4.594) 23.592 6.777 ( -9.639 0.000 8.153) 12.625 6.956 ( 15.224 0.000 -1.775) 15.327 7.135 ( 1.018 0.000 -0.593) 1.178 7.597 ( -19.582 0.000 -6.022) 20.487 7.802 ( 9.457 0.000 0.903) 9.501 7.826 ( 4.071 0.000 -5.988) 7.241 8.026 ( -10.322 0.000 -5.566) 11.728 8.047 ( 11.339 0.000 6.834) 13.239 8.391 ( 0.699 0.000 -20.698) 20.710 8.639 ( 5.190 0.000 -3.783) 6.422 8.771 ( 0.746 0.000 -7.342) 7.380 9.021 ( -1.315 0.000 -1.628) 2.093 9.606 ( -1.793 0.000 -2.759) 3.291 9.842 ( -2.502 0.000 -4.036) 4.749 9.860 ( -3.353 0.000 -8.216) 8.874 9.972 ( -2.382 0.000 -2.114) 3.185 10.233 ( 7.164 0.000 -0.027) 7.164 10.606 ( -1.832 0.000 -1.053) 2.113 10.711 ( -7.055 0.000 0.852) 7.106 10.831 ( -5.754 0.000 2.608) 6.318 10.868 ( 4.362 0.000 -0.590) 4.402 11.182 ( -7.423 0.000 -7.756) 10.736 11.663 ( 5.333 0.000 5.120) 7.393 11.677 ( 10.886 0.000 -9.860) 14.687 12.258 ( 2.756 0.000 -4.368) 5.165 12.260 ( -1.422 0.000 0.749) 1.607 13.571 ( 8.296 0.000 10.998) 13.776 14.489 ( -2.059 0.000 7.344) 7.628 14.779 ( 2.578 0.000 -6.816) 7.288 14.979 ( 1.793 0.000 -8.882) 9.061 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 22.448 0.000 14.457) 26.700 1.938 ( 22.713 0.000 22.584) 32.030 3.426 ( 22.884 0.000 25.900) 34.561 3.619 ( 8.466 0.000 -2.430) 8.808 3.705 ( -9.786 0.000 -2.620) 10.130 3.902 ( -0.072 0.000 7.808) 7.809 4.227 ( -5.566 0.000 -2.598) 6.142 4.412 ( -1.333 0.000 9.109) 9.206 4.451 ( -18.266 0.000 8.994) 20.360 4.847 ( -9.608 0.000 17.128) 19.639 5.351 ( 2.671 0.000 5.640) 6.241 5.429 ( 8.182 0.000 -8.222) 11.600 5.541 ( 2.720 0.000 1.332) 3.029 5.690 ( 4.622 0.000 13.637) 14.399 6.176 ( -1.600 0.000 -1.717) 2.347 6.340 ( -15.434 0.000 0.630) 15.447 6.387 ( -0.939 0.000 0.880) 1.287 6.544 ( -5.911 0.000 6.125) 8.512 6.691 ( 9.067 0.000 -2.924) 9.527 7.036 ( -26.883 0.000 0.436) 26.887 7.163 ( 1.305 0.000 -5.881) 6.024 7.349 ( 13.304 0.000 -4.462) 14.032 7.645 ( -21.913 0.000 -3.013) 22.119 7.963 ( 8.382 0.000 -10.763) 13.642 8.004 ( 8.382 0.000 0.141) 8.383 8.230 ( 5.869 0.000 3.890) 7.041 8.455 ( 6.976 0.000 -12.081) 13.950 8.781 ( -2.013 0.000 -6.811) 7.102 8.796 ( 10.367 0.000 -2.011) 10.561 8.920 ( -7.581 0.000 -0.264) 7.586 9.578 ( -0.993 0.000 -3.146) 3.299 9.768 ( -5.102 0.000 -5.546) 7.536 9.773 ( -5.136 0.000 -6.736) 8.470 9.900 ( -5.010 0.000 -0.375) 5.024 10.393 ( 8.066 0.000 -1.813) 8.267 10.542 ( -8.948 0.000 5.072) 10.286 10.600 ( 0.943 0.000 -2.621) 2.786 10.683 ( -8.696 0.000 2.750) 9.121 10.914 ( 0.943 0.000 0.801) 1.237 11.109 ( -1.478 0.000 -0.509) 1.564 11.790 ( 6.993 0.000 3.272) 7.720 11.894 ( 11.220 0.000 -10.026) 15.047 12.218 ( -2.867 0.000 0.760) 2.966 12.310 ( 2.014 0.000 -7.071) 7.352 13.730 ( 7.534 0.000 11.266) 13.553 14.408 ( -6.170 0.000 7.947) 10.061 14.851 ( 4.237 0.000 -11.894) 12.626 15.010 ( 1.049 0.000 -10.179) 10.232 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 33.664 0.000 3.006) 33.798 2.420 ( 25.554 0.000 16.585) 30.465 3.223 ( -25.787 0.000 3.528) 26.027 3.395 ( -21.045 0.000 4.572) 21.536 3.819 ( 9.840 0.000 -3.541) 10.457 4.138 ( -2.715 0.000 -1.382) 3.047 4.210 ( -6.923 0.000 4.452) 8.231 4.237 ( 0.619 0.000 2.669) 2.740 4.463 ( 20.683 0.000 20.876) 29.387 4.770 ( 2.284 0.000 15.054) 15.226 5.339 ( 1.202 0.000 8.476) 8.561 5.604 ( 9.532 0.000 -3.299) 10.087 5.675 ( 8.798 0.000 -0.088) 8.798 5.923 ( 11.981 0.000 6.834) 13.793 6.028 ( -10.891 0.000 2.650) 11.208 6.089 ( -6.677 0.000 1.599) 6.866 6.380 ( 0.342 0.000 0.332) 0.477 6.419 ( -30.999 0.000 7.932) 31.998 6.446 ( -3.276 0.000 2.328) 4.019 6.907 ( 10.363 0.000 -9.686) 14.185 7.063 ( -28.476 0.000 1.205) 28.501 7.162 ( -1.965 0.000 -10.111) 10.300 7.760 ( 18.113 0.000 -4.436) 18.648 8.113 ( 6.479 0.000 -12.827) 14.371 8.138 ( 3.755 0.000 0.417) 3.778 8.274 ( -0.776 0.000 -4.444) 4.511 8.673 ( -6.628 0.000 -3.915) 7.698 8.682 ( 14.999 0.000 -3.327) 15.364 8.773 ( -7.251 0.000 -2.264) 7.596 8.994 ( 7.197 0.000 0.702) 7.231 9.572 ( 0.593 0.000 -3.187) 3.242 9.650 ( -5.620 0.000 -4.853) 7.425 9.675 ( -4.435 0.000 -5.412) 6.997 9.776 ( -7.347 0.000 1.052) 7.422 10.404 ( -4.125 0.000 6.849) 7.995 10.512 ( -7.971 0.000 4.309) 9.061 10.529 ( 5.474 0.000 -3.058) 6.270 10.620 ( 0.494 0.000 -3.770) 3.802 10.943 ( 2.382 0.000 2.452) 3.418 11.071 ( -2.741 0.000 3.410) 4.375 11.926 ( 6.688 0.000 1.931) 6.961 12.105 ( 9.655 0.000 -8.957) 13.170 12.147 ( -4.306 0.000 0.859) 4.391 12.322 ( -1.076 0.000 -8.043) 8.114 13.883 ( 8.367 0.000 10.042) 13.071 14.254 ( -9.136 0.000 6.931) 11.468 14.931 ( 3.663 0.000 -12.043) 12.587 15.015 ( -0.505 0.000 -11.031) 11.043 ======================= Grid point 130 (45/120) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -33.269 0.000 0.891) 33.281 2.626 ( 33.269 0.000 0.891) 33.281 2.927 ( -25.376 0.000 11.119) 27.705 2.927 ( 25.376 0.000 11.119) 27.705 4.046 ( -12.355 0.000 -0.635) 12.371 4.046 ( 12.355 0.000 -0.635) 12.371 4.130 ( -1.768 0.000 0.677) 1.893 4.130 ( 1.768 0.000 0.677) 1.893 4.779 ( -6.266 0.000 11.242) 12.870 4.779 ( 6.266 0.000 11.242) 12.870 5.633 ( -26.049 0.000 13.558) 29.366 5.633 ( 26.049 0.000 13.558) 29.366 5.806 ( -10.956 0.000 0.825) 10.987 5.806 ( 10.956 0.000 0.825) 10.987 5.888 ( -12.285 0.000 -1.865) 12.426 5.888 ( 12.285 0.000 -1.865) 12.426 6.400 ( -1.600 0.000 0.842) 1.808 6.400 ( 1.600 0.000 0.842) 1.808 6.504 ( -26.894 0.000 6.660) 27.707 6.504 ( 26.894 0.000 6.660) 27.707 7.076 ( -6.613 0.000 -11.717) 13.455 7.076 ( 6.613 0.000 -11.717) 13.455 8.068 ( -11.330 0.000 -1.977) 11.501 8.068 ( 11.330 0.000 -1.977) 11.501 8.220 ( -4.303 0.000 -9.878) 10.775 8.220 ( 4.303 0.000 -9.878) 10.775 8.644 ( -4.328 0.000 -2.751) 5.128 8.644 ( 4.328 0.000 -2.751) 5.128 8.964 ( -10.641 0.000 -1.015) 10.690 8.964 ( 10.641 0.000 -1.015) 10.690 9.604 ( -2.668 0.000 -4.056) 4.855 9.604 ( 2.668 0.000 -4.056) 4.855 9.637 ( -5.052 0.000 -0.145) 5.054 9.637 ( 5.052 0.000 -0.145) 5.054 10.396 ( -3.188 0.000 6.004) 6.798 10.396 ( 3.188 0.000 6.004) 6.798 10.605 ( -2.238 0.000 -3.891) 4.489 10.605 ( 2.238 0.000 -3.891) 4.489 11.005 ( -3.633 0.000 3.963) 5.376 11.005 ( 3.633 0.000 3.963) 5.376 12.049 ( -5.642 0.000 1.186) 5.765 12.049 ( 5.642 0.000 1.186) 5.765 12.258 ( -5.562 0.000 -8.207) 9.914 12.258 ( 5.562 0.000 -8.207) 9.914 14.063 ( -9.767 0.000 7.744) 12.465 14.063 ( 9.767 0.000 7.744) 12.465 14.989 ( -2.148 0.000 -11.535) 11.733 14.989 ( 2.148 0.000 -11.535) 11.733 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 12.502 29.420) 31.966 1.625 ( 0.000 17.323 28.296) 33.177 2.459 ( 0.000 31.544 37.418) 48.940 3.506 ( 0.000 -10.708 4.201) 11.502 3.765 ( 0.000 -8.517 6.237) 10.557 3.927 ( 0.000 6.375 -2.790) 6.959 4.410 ( 0.000 3.120 2.131) 3.778 4.623 ( 0.000 4.165 8.644) 9.595 4.898 ( 0.000 -21.004 13.400) 24.914 4.942 ( 0.000 -22.284 -12.419) 25.511 5.056 ( 0.000 -6.604 1.952) 6.887 5.333 ( 0.000 3.800 2.292) 4.437 5.610 ( 0.000 -6.546 7.137) 9.684 5.664 ( 0.000 4.177 -1.460) 4.425 5.844 ( 0.000 -4.026 15.393) 15.911 6.466 ( 0.000 2.823 -1.294) 3.105 6.637 ( 0.000 11.245 -7.225) 13.366 6.729 ( 0.000 -13.017 5.871) 14.280 6.797 ( 0.000 -0.499 4.750) 4.776 7.062 ( 0.000 -2.669 1.736) 3.184 7.253 ( 0.000 9.895 2.937) 10.322 7.465 ( 0.000 -4.715 -0.931) 4.806 7.635 ( 0.000 -12.493 1.348) 12.566 7.895 ( 0.000 2.417 -0.109) 2.420 8.087 ( 0.000 9.923 -7.272) 12.303 8.119 ( 0.000 0.182 -8.009) 8.011 8.264 ( 0.000 -1.380 -12.188) 12.266 8.557 ( 0.000 -2.297 -1.741) 2.882 8.905 ( 0.000 6.534 -8.390) 10.634 8.974 ( 0.000 -1.709 -3.764) 4.134 9.553 ( 0.000 -5.201 -4.448) 6.843 9.896 ( 0.000 -6.985 -3.308) 7.729 9.941 ( 0.000 2.493 -8.339) 8.704 9.968 ( 0.000 6.075 -5.185) 7.986 10.180 ( 0.000 2.777 2.290) 3.600 10.678 ( 0.000 3.178 0.121) 3.180 10.720 ( 0.000 -3.189 3.753) 4.925 10.791 ( 0.000 1.340 -0.067) 1.342 10.890 ( 0.000 -0.939 2.969) 3.113 11.163 ( 0.000 -13.352 -15.146) 20.191 11.429 ( 0.000 -3.247 -1.109) 3.431 11.757 ( 0.000 11.339 6.748) 13.195 12.311 ( 0.000 6.555 -2.436) 6.993 12.415 ( 0.000 6.601 -5.405) 8.532 13.504 ( 0.000 2.927 10.604) 11.001 14.557 ( 0.000 4.598 3.015) 5.499 14.857 ( 0.000 7.680 -7.183) 10.515 14.876 ( 0.000 -7.422 -7.830) 10.789 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.12 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -6.176 15.742 27.154) 31.989 1.816 ( 12.837 20.499 25.166) 34.905 2.900 ( 35.239 21.508 32.705) 52.669 3.494 ( 0.133 -8.578 1.689) 8.743 3.812 ( 2.717 -7.548 4.469) 9.183 3.908 ( -2.366 4.070 -1.165) 4.850 4.314 ( -9.546 1.178 2.526) 9.945 4.586 ( -3.985 5.997 6.003) 9.374 4.741 ( -11.659 -12.052 5.634) 17.690 4.898 ( -6.024 -13.504 13.042) 19.717 5.062 ( 4.219 -12.874 -6.091) 14.854 5.335 ( -0.867 2.345 8.560) 8.917 5.574 ( 0.250 1.196 -6.212) 6.331 5.690 ( -3.893 -3.901 16.571) 17.464 5.949 ( 11.739 -7.156 0.475) 13.757 6.464 ( -0.217 3.440 -1.121) 3.624 6.598 ( -2.043 3.230 0.989) 3.948 6.655 ( -7.908 -9.207 5.867) 13.481 6.763 ( -21.061 5.086 4.124) 22.055 6.968 ( 11.656 1.533 -1.754) 11.887 7.168 ( 1.371 3.214 0.191) 3.500 7.540 ( 4.100 -14.371 -3.197) 15.282 7.617 ( -13.764 0.981 -6.663) 15.323 7.895 ( -1.061 -0.294 -3.787) 3.944 8.073 ( 4.482 3.796 2.440) 6.360 8.167 ( 1.107 9.279 -4.636) 10.432 8.323 ( 5.705 -4.307 -11.721) 13.729 8.594 ( 1.926 -2.751 -5.108) 6.113 8.852 ( 1.086 5.405 -6.872) 8.810 9.003 ( -1.141 -1.139 -2.717) 3.160 9.516 ( -2.995 -5.755 -3.567) 7.404 9.840 ( -4.150 -5.855 -6.410) 9.623 9.917 ( -1.791 3.795 -5.183) 6.669 10.024 ( 1.402 9.442 -4.454) 10.534 10.233 ( 6.062 -0.710 0.673) 6.140 10.613 ( -5.571 -0.679 1.206) 5.740 10.696 ( -3.320 -4.438 4.373) 7.060 10.744 ( -3.231 3.737 0.441) 4.960 10.941 ( 3.273 2.452 1.932) 4.523 11.093 ( -3.843 -8.727 -12.518) 15.737 11.535 ( 8.105 -7.311 -1.603) 11.032 11.773 ( 1.597 8.903 6.284) 11.014 12.331 ( 1.803 7.116 -2.789) 7.853 12.431 ( 1.549 7.709 -5.555) 9.627 13.582 ( 6.654 1.116 10.262) 12.281 14.544 ( -1.995 4.565 3.968) 6.369 14.828 ( -0.761 2.269 -8.731) 9.053 14.912 ( 1.840 -4.656 -9.120) 10.404 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.25 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 19.133 14.131 13.361) 27.281 2.142 ( 19.489 17.207 20.406) 33.050 3.535 ( 6.310 -8.015 -3.515) 10.789 3.569 ( 16.599 12.712 20.788) 29.483 3.768 ( -10.551 5.514 -0.574) 11.919 3.868 ( 6.312 -5.138 6.879) 10.657 4.107 ( -5.330 -2.647 5.493) 8.099 4.419 ( -9.483 3.225 4.762) 11.091 4.620 ( -2.934 7.085 6.833) 10.271 4.761 ( -6.334 -7.198 16.561) 19.136 5.198 ( 8.801 -13.553 -1.449) 16.225 5.331 ( 1.438 -3.480 5.906) 7.004 5.596 ( -2.031 -3.747 17.177) 17.698 5.642 ( 4.699 0.317 -4.896) 6.794 6.136 ( 4.452 -5.120 -4.241) 8.001 6.319 ( -17.418 -1.745 1.316) 17.555 6.473 ( -0.289 2.626 0.058) 2.642 6.503 ( -4.517 -5.927 4.940) 8.941 6.664 ( 3.012 5.787 1.293) 6.651 7.059 ( -7.507 -1.872 -3.293) 8.409 7.119 ( -17.995 1.029 -4.523) 18.583 7.415 ( 12.983 4.001 -4.056) 14.178 7.643 ( -10.493 -4.958 -5.078) 12.667 7.736 ( 1.261 -7.865 -2.622) 8.386 8.114 ( 2.166 2.361 -8.822) 9.386 8.254 ( 3.870 2.383 3.512) 5.744 8.476 ( 8.800 0.698 -5.447) 10.373 8.662 ( 5.006 -4.852 -7.939) 10.565 8.912 ( -2.023 2.969 -0.995) 3.728 8.938 ( 0.840 4.290 -3.583) 5.652 9.461 ( -2.187 -6.478 -2.843) 7.405 9.749 ( -5.052 -3.908 -8.266) 10.446 9.867 ( -3.113 4.489 -3.143) 6.302 9.996 ( -3.609 10.726 -1.333) 11.395 10.372 ( 5.231 -1.746 -0.522) 5.539 10.472 ( -8.154 -3.850 3.869) 9.813 10.590 ( -4.707 -5.000 2.655) 7.363 10.723 ( 0.273 7.241 -1.473) 7.394 10.958 ( -0.472 2.176 -0.007) 2.227 11.080 ( 1.172 -3.209 -5.189) 6.213 11.693 ( 7.206 -9.098 0.279) 11.609 11.816 ( 2.608 2.402 4.358) 5.618 12.373 ( 2.391 9.596 -3.068) 10.354 12.469 ( 2.039 9.110 -5.810) 10.996 13.726 ( 7.683 0.203 9.922) 12.551 14.457 ( -6.777 4.393 4.348) 9.173 14.845 ( 2.217 -0.740 -10.723) 10.975 14.939 ( 0.916 -6.250 -10.492) 12.247 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.38 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 31.001 8.861 3.646) 32.448 2.554 ( 21.352 11.527 15.124) 28.592 3.307 ( -25.097 7.989 3.548) 26.576 3.454 ( -19.428 5.486 4.897) 20.773 3.709 ( 8.803 -9.251 -2.498) 13.012 3.940 ( -1.494 -10.280 0.857) 10.423 4.269 ( -2.014 4.961 4.986) 7.316 4.421 ( -0.913 9.097 3.327) 9.729 4.560 ( 15.614 7.093 15.028) 22.802 4.766 ( 5.768 0.120 13.272) 14.471 5.317 ( 3.622 -4.972 6.643) 9.054 5.430 ( 10.736 -7.927 1.229) 13.402 5.642 ( 3.093 -14.478 12.085) 19.111 5.755 ( 6.572 -1.437 -1.417) 6.875 6.008 ( -13.349 -2.516 -0.260) 13.586 6.167 ( 2.038 3.101 0.103) 3.712 6.407 ( -6.320 -4.431 -0.087) 7.719 6.476 ( -28.710 3.966 5.195) 29.445 6.531 ( 3.432 10.364 1.675) 11.045 6.772 ( 3.504 -2.530 -3.450) 5.530 7.063 ( -2.179 -8.552 -9.377) 12.877 7.213 ( -21.222 7.174 -2.016) 22.493 7.752 ( 15.815 -1.553 -3.849) 16.351 7.909 ( 8.645 -13.520 -3.895) 16.514 8.167 ( 2.377 0.476 -9.112) 9.429 8.272 ( -1.459 -0.905 -3.965) 4.321 8.590 ( 0.359 -4.867 -3.210) 5.841 8.689 ( -3.464 -0.811 -3.406) 4.925 8.888 ( 5.784 7.514 -2.834) 9.897 9.037 ( 5.487 4.425 -0.254) 7.054 9.441 ( 0.568 -5.547 -2.870) 6.271 9.636 ( -6.511 -1.770 -6.985) 9.711 9.810 ( -2.046 6.668 -1.743) 7.189 9.902 ( -5.482 10.182 0.451) 11.573 10.324 ( -5.487 -5.770 6.500) 10.279 10.349 ( -5.211 -6.927 4.384) 9.714 10.611 ( 4.662 1.484 -3.489) 6.010 10.724 ( -0.598 6.424 -4.017) 7.600 10.974 ( 2.208 2.458 1.239) 3.529 11.081 ( -1.373 0.317 -0.610) 1.536 11.804 ( 4.134 -7.960 2.296) 9.258 11.862 ( 1.459 -5.626 2.170) 6.204 12.427 ( 2.962 11.599 -3.152) 12.380 12.497 ( 0.428 10.113 -5.206) 11.382 13.890 ( 9.080 1.185 7.868) 12.073 14.289 ( -9.866 3.513 3.894) 11.174 14.895 ( 2.504 -3.224 -11.092) 11.819 14.948 ( -0.082 -6.214 -11.002) 12.636 ======================= Grid point 139 (50/120) ======================= q-point: (-0.50 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -27.410 3.779 2.099) 27.748 2.659 ( 27.410 3.779 2.099) 27.748 3.057 ( -17.579 11.586 9.642) 23.157 3.057 ( 17.579 11.586 9.642) 23.157 3.872 ( -6.240 -9.647 0.951) 11.528 3.872 ( 6.240 -9.647 0.951) 11.528 4.281 ( -4.697 7.164 0.967) 8.621 4.281 ( 4.697 7.164 0.967) 8.621 4.814 ( -4.956 2.773 9.101) 10.728 4.814 ( 4.956 2.773 9.101) 10.728 5.543 ( -12.864 -12.626 6.703) 19.231 5.543 ( 12.864 -12.626 6.703) 19.231 5.726 ( -18.725 0.909 4.312) 19.236 5.726 ( 18.725 0.909 4.312) 19.236 5.931 ( -15.357 -0.059 5.577) 16.338 5.931 ( 15.357 -0.059 5.577) 16.338 6.298 ( -8.116 -1.966 -1.655) 8.513 6.298 ( 8.116 -1.966 -1.655) 8.513 6.690 ( -11.576 9.675 2.752) 15.335 6.690 ( 11.576 9.675 2.752) 15.335 7.010 ( -1.451 -5.337 -8.809) 10.402 7.010 ( 1.451 -5.337 -8.809) 10.402 7.979 ( -4.390 -8.625 -2.557) 10.010 7.979 ( 4.390 -8.625 -2.557) 10.010 8.209 ( -3.523 -0.159 -9.233) 9.883 8.209 ( 3.523 -0.159 -9.233) 9.883 8.599 ( -3.488 -2.870 -2.727) 5.277 8.599 ( 3.488 -2.870 -2.727) 5.277 9.045 ( -5.888 5.722 -1.592) 8.363 9.045 ( 5.888 5.722 -1.592) 8.363 9.505 ( -5.870 -2.631 -3.743) 7.443 9.505 ( 5.870 -2.631 -3.743) 7.443 9.812 ( -2.664 9.080 0.191) 9.465 9.812 ( 2.664 9.080 0.191) 9.465 10.278 ( -0.976 -7.348 5.938) 9.498 10.278 ( 0.976 -7.348 5.938) 9.498 10.690 ( -2.927 4.335 -4.567) 6.944 10.690 ( 2.927 4.335 -4.567) 6.944 11.032 ( -3.168 2.231 1.402) 4.121 11.032 ( 3.168 2.231 1.402) 4.121 11.861 ( -1.564 -7.984 2.133) 8.411 11.861 ( 1.564 -7.984 2.133) 8.411 12.480 ( -2.077 11.188 -3.857) 12.015 12.480 ( 2.077 11.188 -3.857) 12.015 14.085 ( -10.475 2.439 5.096) 11.902 14.085 ( 10.475 2.439 5.096) 11.902 14.934 ( -1.347 -5.041 -11.122) 12.285 14.934 ( 1.347 -5.041 -11.122) 12.285 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 0.000 19.564 21.052) 28.740 2.044 ( 0.000 22.402 22.793) 31.959 3.137 ( 0.000 1.427 7.016) 7.159 3.366 ( 0.000 25.378 20.022) 32.325 3.501 ( 0.000 -16.628 9.817) 19.309 4.086 ( 0.000 7.258 -0.713) 7.293 4.461 ( 0.000 -6.593 8.929) 11.100 4.506 ( 0.000 -16.918 -10.454) 19.888 4.566 ( 0.000 -1.048 11.148) 11.198 4.680 ( 0.000 1.221 7.782) 7.877 4.926 ( 0.000 -5.868 2.797) 6.500 5.392 ( 0.000 1.893 3.087) 3.621 5.509 ( 0.000 -2.211 2.539) 3.367 5.624 ( 0.000 -7.157 5.171) 8.830 5.734 ( 0.000 -5.467 19.314) 20.072 6.322 ( 0.000 -23.346 5.585) 24.005 6.557 ( 0.000 4.465 -1.649) 4.760 6.784 ( 0.000 2.284 -5.549) 6.001 6.797 ( 0.000 -0.142 5.803) 5.804 6.974 ( 0.000 -5.361 -0.499) 5.385 7.372 ( 0.000 -3.961 -3.594) 5.349 7.374 ( 0.000 -6.663 -1.256) 6.780 7.533 ( 0.000 10.850 -3.274) 11.333 7.944 ( 0.000 1.428 -1.919) 2.392 8.043 ( 0.000 -1.378 -6.365) 6.513 8.234 ( 0.000 1.443 -6.355) 6.517 8.405 ( 0.000 9.018 -5.668) 10.651 8.553 ( 0.000 3.396 -0.587) 3.447 8.955 ( 0.000 0.409 -4.885) 4.902 9.011 ( 0.000 3.325 -8.174) 8.825 9.453 ( 0.000 -3.831 -6.431) 7.485 9.717 ( 0.000 -9.008 -5.612) 10.613 10.005 ( 0.000 2.599 -2.101) 3.342 10.045 ( 0.000 1.506 -4.748) 4.981 10.263 ( 0.000 4.634 -0.764) 4.696 10.706 ( 0.000 0.092 -2.810) 2.811 10.736 ( 0.000 1.406 2.590) 2.947 10.787 ( 0.000 -9.123 0.595) 9.142 10.917 ( 0.000 10.644 -2.479) 10.929 10.977 ( 0.000 -1.865 -4.392) 4.771 11.382 ( 0.000 -0.389 0.284) 0.482 12.035 ( 0.000 14.651 8.557) 16.967 12.231 ( 0.000 -12.067 1.449) 12.154 12.595 ( 0.000 6.367 -5.991) 8.742 13.598 ( 0.000 7.559 7.034) 10.326 14.576 ( 0.000 -10.287 -7.549) 12.759 14.757 ( 0.000 3.240 -0.175) 3.245 14.986 ( 0.000 3.490 -11.502) 12.020 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.12 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -3.248 23.458 18.094) 29.803 2.271 ( 13.616 21.860 20.956) 33.203 3.183 ( 3.310 -12.789 0.812) 13.235 3.555 ( 4.637 -15.151 8.458) 17.961 3.580 ( 20.854 31.784 22.336) 44.091 4.053 ( -3.820 7.728 -0.143) 8.621 4.385 ( -8.433 1.596 2.319) 8.890 4.481 ( -3.536 -6.395 4.472) 8.567 4.555 ( 1.279 -11.393 6.119) 12.995 4.715 ( 3.624 -0.496 8.247) 9.022 4.867 ( -3.793 -5.856 2.259) 7.334 5.364 ( -5.382 0.270 13.353) 14.399 5.529 ( 3.016 -5.551 -6.543) 9.095 5.606 ( -2.955 -2.814 14.604) 15.163 5.775 ( 6.305 -8.067 3.768) 10.910 6.290 ( -3.118 -21.168 6.851) 22.466 6.551 ( -0.184 4.550 -1.931) 4.946 6.659 ( -10.302 0.901 2.219) 10.577 6.811 ( -3.253 -1.898 0.838) 3.858 7.080 ( 3.562 7.107 -3.138) 8.547 7.180 ( 2.632 -7.698 0.341) 8.143 7.311 ( -5.888 -2.188 -4.090) 7.496 7.632 ( -2.307 1.822 -7.382) 7.946 7.886 ( -4.470 -0.441 -7.047) 8.357 8.192 ( 2.868 6.190 -1.259) 6.937 8.263 ( -1.113 -0.760 -6.134) 6.280 8.315 ( 7.645 3.991 -2.215) 8.904 8.568 ( -3.567 0.593 -3.198) 4.827 8.940 ( 2.468 2.429 -5.392) 6.408 8.998 ( -1.877 0.861 -5.345) 5.730 9.418 ( -2.501 -2.658 -5.242) 6.388 9.698 ( -2.328 -6.839 -5.487) 9.072 9.995 ( -0.982 2.852 -1.350) 3.305 10.171 ( 10.432 -0.285 -5.009) 11.576 10.244 ( -1.598 5.943 -2.104) 6.504 10.600 ( -9.764 1.266 5.073) 11.075 10.674 ( -6.185 0.262 4.341) 7.561 10.782 ( 1.851 -6.786 -8.537) 11.061 10.937 ( -1.296 0.349 -6.543) 6.679 11.018 ( 4.548 5.783 -0.653) 7.386 11.439 ( 5.341 -0.835 1.647) 5.651 12.028 ( -0.735 14.395 9.181) 17.089 12.279 ( 4.463 -10.795 1.710) 11.806 12.613 ( 1.550 5.871 -5.469) 8.172 13.650 ( 5.041 6.952 6.359) 10.685 14.577 ( -0.142 -7.914 -6.944) 10.530 14.755 ( -0.194 0.958 -1.041) 1.427 14.939 ( -4.251 2.417 -11.653) 12.638 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.25 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 14.015 22.503 9.568) 28.184 2.554 ( 15.004 20.578 17.937) 31.149 3.284 ( 7.383 -15.489 -2.236) 17.303 3.630 ( 1.962 -12.422 4.604) 13.392 3.868 ( -8.004 11.117 4.593) 14.448 4.009 ( -5.887 15.558 6.427) 17.833 4.236 ( 13.876 13.816 13.821) 23.968 4.456 ( -0.680 -1.378 3.505) 3.827 4.592 ( 2.297 -7.071 10.497) 12.863 4.713 ( -3.212 2.149 3.187) 5.010 4.916 ( 8.056 -12.684 5.086) 15.864 5.243 ( -3.841 -5.294 12.582) 14.181 5.468 ( -5.443 -5.317 13.629) 15.609 5.665 ( 5.165 1.086 -2.934) 6.038 5.941 ( 9.435 -11.324 -7.277) 16.438 6.207 ( -6.140 -11.518 5.470) 14.153 6.367 ( -13.597 -0.040 3.674) 14.084 6.568 ( 2.099 1.953 -1.018) 3.042 6.798 ( 0.359 2.403 2.290) 3.339 7.024 ( -5.952 3.800 -5.346) 8.857 7.170 ( -14.101 -1.834 -7.398) 16.029 7.411 ( 9.347 -7.702 0.805) 12.138 7.488 ( 0.664 2.714 -3.446) 4.436 7.714 ( -14.110 -0.428 -6.027) 15.349 8.136 ( 0.773 1.222 -7.715) 7.850 8.321 ( -4.325 2.892 -0.015) 5.203 8.440 ( 6.320 -2.757 -3.328) 7.657 8.600 ( 7.413 -2.137 -5.419) 9.428 8.954 ( -1.251 2.651 -2.517) 3.864 9.044 ( 6.208 3.200 -3.924) 8.011 9.377 ( -1.183 -0.676 -3.805) 4.042 9.637 ( -3.390 -5.581 -6.492) 9.208 9.966 ( -1.867 3.990 0.031) 4.405 10.186 ( -3.441 3.410 0.919) 4.931 10.350 ( -4.313 2.592 1.847) 5.360 10.428 ( 1.443 0.069 -3.818) 4.082 10.509 ( -7.790 -2.533 6.630) 10.539 10.847 ( 3.186 -0.015 -6.173) 6.947 10.904 ( -0.824 -2.792 -8.412) 8.901 11.086 ( 1.874 3.413 -2.841) 4.820 11.572 ( 7.614 0.192 3.985) 8.596 12.001 ( -2.091 13.277 10.096) 16.810 12.386 ( 5.948 -7.843 2.341) 10.118 12.642 ( 1.015 4.243 -3.448) 5.561 13.784 ( 8.267 6.703 4.293) 11.476 14.544 ( -4.227 0.616 -4.273) 6.042 14.750 ( -0.126 -6.428 -4.805) 8.026 14.856 ( -3.142 -0.873 -11.869) 12.309 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.38 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 24.610 16.730 3.213) 29.930 2.839 ( 12.177 14.515 12.645) 22.779 3.455 ( 5.884 -13.015 -1.512) 14.363 3.525 ( -15.132 5.591 3.887) 16.593 3.608 ( -9.744 10.012 2.804) 14.249 3.813 ( -5.650 2.188 7.459) 9.610 4.386 ( -1.821 5.096 5.272) 7.555 4.508 ( -8.025 -0.858 3.784) 8.914 4.681 ( 12.939 1.406 4.558) 13.790 4.794 ( 10.157 2.331 9.172) 13.882 5.067 ( 6.261 -14.348 7.143) 17.207 5.245 ( 0.838 -16.184 12.618) 20.538 5.474 ( 11.166 4.701 10.242) 15.864 5.741 ( 3.278 0.140 -1.336) 3.542 5.981 ( -12.029 0.888 -0.369) 12.067 6.131 ( 7.945 -7.774 -10.747) 15.461 6.264 ( -0.743 -3.964 2.540) 4.766 6.619 ( -17.724 2.650 2.955) 18.163 6.656 ( -1.659 3.453 2.800) 4.745 6.846 ( -3.992 -0.997 -1.086) 4.256 6.931 ( -3.899 7.378 -5.948) 10.248 7.298 ( -18.762 0.744 -1.420) 18.830 7.601 ( 7.506 -13.023 -4.691) 15.746 7.685 ( 8.327 -6.947 -0.752) 10.870 8.198 ( 3.618 2.587 -8.913) 9.961 8.246 ( -1.795 -0.801 -5.136) 5.499 8.502 ( 0.334 -3.096 -2.939) 4.282 8.645 ( -3.952 -3.457 -4.159) 6.698 9.026 ( 8.117 6.044 -1.602) 10.246 9.153 ( 4.182 4.913 -3.381) 7.284 9.391 ( 2.854 0.635 -4.015) 4.967 9.569 ( -3.749 -4.532 -6.944) 9.100 9.935 ( -0.720 4.895 2.281) 5.448 10.098 ( -6.717 7.311 2.321) 10.196 10.176 ( -5.706 -5.678 7.628) 11.090 10.289 ( -9.272 -1.512 8.117) 12.415 10.618 ( 8.226 0.879 -7.263) 11.008 10.832 ( -2.978 4.126 -5.777) 7.699 10.963 ( 4.592 -4.781 -7.768) 10.212 11.092 ( -1.192 0.316 -4.835) 4.990 11.721 ( 7.150 3.292 6.359) 10.119 11.943 ( -3.908 10.898 10.025) 15.315 12.500 ( 5.380 -4.585 2.778) 7.595 12.641 ( -1.236 1.496 -0.376) 1.977 13.970 ( 10.432 7.344 1.188) 12.813 14.399 ( -9.771 6.518 -2.567) 12.023 14.763 ( 1.376 -10.288 -8.886) 13.663 14.818 ( -1.245 -4.576 -10.731) 11.732 ======================= Grid point 148 (55/120) ======================= q-point: (-0.50 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -20.064 9.770 2.915) 22.505 2.801 ( 20.064 9.770 2.915) 22.505 3.353 ( -7.379 13.198 5.521) 16.097 3.353 ( 7.379 13.198 5.521) 16.097 3.694 ( -8.195 -4.773 5.603) 11.015 3.694 ( 8.195 -4.773 5.603) 11.015 4.385 ( -2.933 2.494 1.924) 4.303 4.385 ( 2.933 2.494 1.924) 4.303 4.843 ( -4.893 -1.326 5.329) 7.355 4.843 ( 4.893 -1.326 5.329) 7.355 5.197 ( -5.752 -18.168 10.015) 21.528 5.197 ( 5.752 -18.168 10.015) 21.528 5.762 ( -8.659 2.065 -2.699) 9.302 5.762 ( 8.659 2.065 -2.699) 9.302 5.996 ( -24.388 7.029 7.390) 26.434 5.996 ( 24.388 7.029 7.390) 26.434 6.282 ( -5.408 -0.882 -4.211) 6.911 6.282 ( 5.408 -0.882 -4.211) 6.911 6.785 ( -4.824 -3.535 1.027) 6.068 6.785 ( 4.824 -3.535 1.027) 6.068 6.970 ( -10.614 5.418 -1.883) 12.065 6.970 ( 10.614 5.418 -1.883) 12.065 7.733 ( -3.543 -13.836 -3.051) 14.605 7.733 ( 3.543 -13.836 -3.051) 14.605 8.239 ( -1.476 3.141 -7.549) 8.309 8.239 ( 1.476 3.141 -7.549) 8.309 8.535 ( -4.713 -3.578 -3.437) 6.843 8.535 ( 4.713 -3.578 -3.437) 6.843 9.165 ( -3.855 5.803 -2.990) 7.581 9.165 ( 3.855 5.803 -2.990) 7.581 9.479 ( -5.230 -1.240 -5.862) 7.953 9.479 ( 5.230 -1.240 -5.862) 7.953 9.965 ( -4.453 5.099 5.047) 8.444 9.965 ( 4.453 5.099 5.047) 8.444 10.160 ( -3.148 -3.510 7.561) 8.910 10.160 ( 3.148 -3.510 7.561) 8.910 10.752 ( -5.309 2.500 -6.751) 8.945 10.752 ( 5.309 2.500 -6.751) 8.945 11.045 ( -3.427 -2.250 -6.309) 7.524 11.045 ( 3.427 -2.250 -6.309) 7.524 11.848 ( -5.668 7.309 8.619) 12.643 11.848 ( 5.668 7.309 8.619) 12.643 12.592 ( -3.723 -1.536 2.023) 4.507 12.592 ( 3.723 -1.536 2.023) 4.507 14.187 ( -11.264 7.567 -1.397) 13.642 14.187 ( 11.264 7.567 -1.397) 13.642 14.793 ( -1.456 -8.153 -10.117) 13.075 14.793 ( 1.456 -8.153 -10.117) 13.075 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 0.000 20.969 12.598) 24.463 2.540 ( 0.000 23.428 16.346) 28.566 2.836 ( 0.000 -17.140 6.507) 18.334 3.078 ( 0.000 -23.204 13.030) 26.612 3.987 ( 0.000 12.996 12.598) 18.100 4.108 ( 0.000 -4.779 2.286) 5.298 4.382 ( 0.000 4.694 -1.995) 5.100 4.447 ( 0.000 10.309 7.248) 12.602 4.554 ( 0.000 0.041 6.011) 6.011 4.786 ( 0.000 -8.741 4.681) 9.915 4.830 ( 0.000 15.438 7.417) 17.127 5.286 ( 0.000 -19.884 0.168) 19.885 5.489 ( 0.000 1.008 16.360) 16.391 5.523 ( 0.000 1.128 1.370) 1.775 5.652 ( 0.000 0.173 16.292) 16.293 5.847 ( 0.000 -17.927 3.928) 18.353 6.657 ( 0.000 5.047 -0.844) 5.117 6.758 ( 0.000 -3.794 0.331) 3.809 6.800 ( 0.000 0.912 4.692) 4.780 6.858 ( 0.000 -4.971 -0.097) 4.972 7.283 ( 0.000 -1.023 -6.499) 6.579 7.304 ( 0.000 -2.414 -5.922) 6.395 7.769 ( 0.000 9.967 -5.475) 11.372 7.922 ( 0.000 -4.157 -5.107) 6.585 8.080 ( 0.000 3.894 -1.657) 4.232 8.176 ( 0.000 -4.781 -1.695) 5.073 8.572 ( 0.000 6.127 -4.477) 7.589 8.629 ( 0.000 1.186 -2.416) 2.691 8.995 ( 0.000 2.863 -7.234) 7.780 9.039 ( 0.000 -0.662 -7.909) 7.937 9.426 ( 0.000 1.987 -6.093) 6.408 9.536 ( 0.000 -7.785 -5.549) 9.560 10.043 ( 0.000 1.082 0.513) 1.198 10.055 ( 0.000 -0.173 -1.140) 1.153 10.375 ( 0.000 6.449 -6.487) 9.147 10.543 ( 0.000 -9.689 -10.648) 14.396 10.755 ( 0.000 0.587 4.252) 4.292 10.756 ( 0.000 0.750 5.202) 5.256 11.008 ( 0.000 3.448 -4.164) 5.406 11.064 ( 0.000 0.374 -7.195) 7.204 11.517 ( 0.000 14.866 4.519) 15.538 11.895 ( 0.000 -18.682 3.147) 18.945 12.343 ( 0.000 14.031 8.040) 16.172 12.580 ( 0.000 -7.377 2.965) 7.950 13.861 ( 0.000 16.906 -1.507) 16.973 14.245 ( 0.000 -18.461 -6.719) 19.646 14.889 ( 0.000 6.560 -3.723) 7.543 14.992 ( 0.000 -2.726 -8.586) 9.009 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.12 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -0.966 24.577 10.596) 26.781 2.717 ( 12.423 16.861 14.115) 25.256 2.823 ( 0.638 -15.997 6.174) 17.159 3.177 ( 8.033 -20.231 11.016) 24.396 4.072 ( 5.663 6.714 8.728) 12.383 4.156 ( 4.792 -2.657 2.087) 5.863 4.384 ( 2.444 8.114 3.149) 9.040 4.521 ( -2.102 -2.869 6.285) 7.222 4.529 ( 4.835 12.983 7.062) 15.550 4.696 ( -6.250 2.469 6.320) 9.225 4.805 ( -3.295 3.864 5.466) 7.461 5.216 ( -7.468 -19.356 8.132) 22.283 5.482 ( 2.636 6.576 8.600) 11.142 5.614 ( -1.305 2.463 8.700) 9.136 5.637 ( 6.709 -4.987 4.639) 9.560 5.833 ( -0.973 -19.223 4.820) 19.842 6.635 ( -3.085 3.125 -0.254) 4.398 6.682 ( -8.296 -0.240 -0.044) 8.299 6.778 ( 1.064 2.296 2.730) 3.722 6.935 ( 3.486 -10.736 0.222) 11.290 7.224 ( -0.620 4.847 -4.827) 6.869 7.296 ( -1.713 -1.974 -4.461) 5.170 7.728 ( -3.827 6.445 -7.270) 10.442 7.847 ( -5.731 -3.971 -7.571) 10.292 8.240 ( 10.213 1.334 -2.800) 10.674 8.276 ( 4.981 -1.223 -3.756) 6.357 8.430 ( -6.852 7.628 -1.194) 10.323 8.557 ( -8.771 -3.333 -2.369) 9.678 8.977 ( 0.623 1.807 -6.037) 6.333 9.008 ( -1.464 -0.611 -6.725) 6.910 9.433 ( 0.302 3.968 -4.754) 6.199 9.554 ( 0.120 -6.819 -4.673) 8.267 10.047 ( 0.362 2.715 1.068) 2.940 10.115 ( 3.810 -3.531 0.601) 5.229 10.397 ( 3.033 7.841 -8.838) 12.198 10.578 ( 3.274 -9.634 -9.754) 14.095 10.647 ( -9.279 2.186 4.010) 10.342 10.675 ( -7.403 -0.510 4.229) 8.541 11.005 ( -0.513 4.368 -4.522) 6.308 11.084 ( 1.044 -1.709 -6.451) 6.755 11.588 ( 6.655 15.183 5.127) 17.353 11.960 ( 6.100 -18.116 3.602) 19.451 12.339 ( -0.513 14.363 8.491) 16.693 12.586 ( 0.369 -7.920 3.486) 8.661 13.903 ( 4.177 16.341 -2.087) 16.995 14.272 ( 2.743 -17.661 -7.016) 19.200 14.858 ( -3.106 5.516 -3.977) 7.476 14.943 ( -4.669 -2.138 -8.670) 10.077 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.25 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 10.336 24.135 5.222) 26.770 2.893 ( 7.066 -18.742 1.863) 20.116 2.976 ( 12.705 16.576 13.368) 24.797 3.336 ( 7.151 -15.727 8.070) 19.069 4.081 ( -3.942 9.904 4.453) 11.552 4.240 ( -4.120 0.545 -0.901) 4.252 4.367 ( -2.262 1.512 7.647) 8.116 4.489 ( -1.131 -3.983 6.998) 8.131 4.652 ( 8.004 12.218 9.093) 17.205 4.698 ( 2.770 3.386 6.362) 7.721 4.721 ( -0.168 -3.272 5.712) 6.585 5.053 ( -7.387 -13.915 12.972) 20.407 5.500 ( 1.588 10.030 9.571) 13.954 5.704 ( 7.522 3.122 -0.451) 8.157 5.743 ( 4.480 -8.291 -2.646) 9.789 5.885 ( 8.352 -16.470 7.067) 19.773 6.432 ( -13.913 5.332 0.927) 14.928 6.549 ( -7.054 -4.341 -1.907) 8.499 6.823 ( 2.482 4.049 0.756) 4.809 6.984 ( 1.695 -10.130 -3.492) 10.848 7.201 ( -2.525 8.364 -3.852) 9.548 7.333 ( 2.567 -3.764 -1.926) 4.946 7.575 ( -10.587 5.027 -3.729) 12.299 7.671 ( -13.145 -3.650 -5.780) 14.816 8.195 ( -2.212 4.327 -6.310) 7.964 8.296 ( -6.285 -4.521 -5.172) 9.311 8.458 ( 4.768 3.686 -1.400) 6.187 8.539 ( 5.262 -3.663 -2.692) 6.953 9.015 ( 3.563 2.714 -4.022) 6.020 9.057 ( 6.353 -1.182 -4.433) 7.836 9.427 ( -0.568 4.330 -3.751) 5.757 9.527 ( -2.311 -5.018 -5.013) 7.460 10.037 ( -1.325 3.837 3.514) 5.369 10.138 ( -1.580 -5.034 4.137) 6.704 10.425 ( -11.327 2.543 5.173) 12.709 10.470 ( -10.982 -1.732 6.628) 12.944 10.523 ( 7.663 7.850 -10.880) 15.450 10.694 ( 6.512 -8.455 -11.138) 15.425 10.981 ( -1.950 5.117 -5.643) 7.863 11.084 ( -1.206 -3.751 -6.779) 7.841 11.753 ( 9.455 15.438 6.497) 19.234 12.110 ( 8.444 -16.508 4.884) 19.175 12.313 ( -2.324 14.797 9.387) 17.677 12.581 ( -1.195 -9.288 4.944) 10.589 14.021 ( 7.582 14.913 -3.625) 17.118 14.349 ( 4.887 -15.144 -7.718) 17.686 14.763 ( -6.699 3.965 -4.985) 9.244 14.830 ( -6.002 -2.109 -8.788) 10.849 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.38 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 17.802 19.483 1.573) 26.439 3.073 ( 9.671 -6.989 2.414) 12.174 3.186 ( 6.909 2.807 7.315) 10.446 3.415 ( -0.382 -10.596 4.744) 11.616 3.949 ( -7.620 18.353 6.229) 20.825 4.056 ( -8.274 15.734 6.251) 18.844 4.335 ( -3.745 -11.484 5.356) 13.213 4.410 ( -5.895 -10.556 4.359) 12.852 4.696 ( 3.707 4.188 4.607) 7.246 4.779 ( 3.661 -3.473 6.037) 7.868 4.841 ( 4.205 -3.985 9.078) 10.770 4.947 ( -4.087 -11.040 11.452) 16.424 5.660 ( 13.545 9.818 1.914) 16.838 5.774 ( 5.344 0.695 -5.572) 7.752 5.974 ( 14.993 -1.120 1.147) 15.078 6.048 ( 0.019 -0.655 -2.086) 2.187 6.209 ( -4.443 1.580 1.982) 5.115 6.411 ( -2.504 -13.672 0.290) 13.903 6.816 ( -12.757 6.301 1.003) 14.263 6.865 ( -9.249 1.745 -1.487) 9.529 7.168 ( -1.762 9.922 -3.211) 10.577 7.263 ( -5.883 -2.681 -0.028) 6.465 7.394 ( -6.337 -4.200 -1.927) 7.843 7.502 ( -1.559 -9.917 -0.735) 10.065 8.245 ( 5.048 1.337 -6.257) 8.149 8.254 ( 3.133 0.841 -6.766) 7.504 8.481 ( -2.519 1.513 -3.484) 4.558 8.555 ( -3.808 -4.673 -4.295) 7.402 9.147 ( 8.855 5.115 -3.195) 10.714 9.207 ( 7.897 -0.014 -4.536) 9.107 9.424 ( -0.054 1.625 -5.253) 5.499 9.475 ( -3.137 -3.707 -6.448) 8.072 10.012 ( -0.478 3.312 6.953) 7.716 10.089 ( -2.401 -3.521 7.360) 8.505 10.203 ( -9.886 3.012 6.862) 12.405 10.251 ( -10.280 -2.002 9.430) 14.093 10.689 ( 8.097 5.683 -10.585) 14.488 10.828 ( 6.658 -7.038 -10.457) 14.256 10.926 ( -3.730 5.067 -7.234) 9.587 11.037 ( -3.455 -4.912 -7.968) 9.978 11.941 ( 9.290 15.569 8.199) 19.898 12.232 ( -3.641 12.761 9.652) 16.410 12.285 ( 6.697 -12.190 6.631) 15.408 12.531 ( -3.959 -11.079 6.492) 13.437 14.192 ( 9.536 12.944 -5.401) 16.960 14.452 ( 4.636 -8.591 -8.192) 12.744 14.607 ( -7.973 2.354 -6.693) 10.673 14.716 ( -5.744 -5.393 -8.674) 11.718 ======================= Grid point 157 (60/120) ======================= q-point: (-0.50 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -13.935 13.286 2.678) 19.439 3.049 ( 13.935 13.286 2.678) 19.439 3.321 ( -8.067 -11.518 1.501) 14.142 3.321 ( 8.067 -11.518 1.501) 14.142 3.921 ( -4.936 20.696 9.470) 23.289 3.921 ( 4.936 20.696 9.470) 23.289 4.311 ( -2.714 -12.526 4.716) 13.657 4.311 ( 2.714 -12.526 4.716) 13.657 4.784 ( -3.437 -0.624 4.661) 5.825 4.784 ( 3.437 -0.624 4.661) 5.825 4.886 ( -1.697 -9.830 9.586) 13.835 4.886 ( 1.697 -9.830 9.586) 13.835 5.863 ( -7.586 7.487 -5.970) 12.216 5.863 ( 7.586 7.487 -5.970) 12.216 6.028 ( -11.209 -6.176 -7.209) 14.689 6.028 ( 11.209 -6.176 -7.209) 14.689 6.377 ( -22.396 11.312 6.557) 25.933 6.377 ( 22.396 11.312 6.557) 25.933 6.624 ( -16.599 -10.550 4.560) 20.190 6.624 ( 16.599 -10.550 4.560) 20.190 7.164 ( -3.170 11.636 -1.269) 12.126 7.164 ( 3.170 11.636 -1.269) 12.126 7.436 ( -5.021 -14.039 -2.245) 15.078 7.436 ( 5.021 -14.039 -2.245) 15.078 8.332 ( -2.507 5.317 -5.959) 8.370 8.332 ( 2.507 5.317 -5.959) 8.370 8.444 ( -4.181 -5.083 -4.580) 8.018 8.444 ( 4.181 -5.083 -4.580) 8.018 9.293 ( -2.834 6.341 -4.960) 8.534 9.293 ( 2.834 6.341 -4.960) 8.534 9.415 ( -1.307 -4.899 -6.507) 8.249 9.415 ( 1.307 -4.899 -6.507) 8.249 10.044 ( -3.609 3.246 9.199) 10.402 10.044 ( 3.609 3.246 9.199) 10.402 10.107 ( -2.912 -2.550 9.096) 9.885 10.107 ( 2.912 -2.550 9.096) 9.885 10.829 ( -5.963 5.059 -8.964) 11.895 10.829 ( 5.963 5.059 -8.964) 11.895 10.950 ( -5.348 -5.896 -9.315) 12.253 10.950 ( 5.348 -5.896 -9.315) 12.253 12.110 ( -7.607 15.669 9.572) 19.875 12.110 ( 7.607 15.669 9.572) 19.875 12.427 ( -6.480 -13.025 7.035) 16.159 12.427 ( 6.480 -13.025 7.035) 16.159 14.384 ( -9.428 10.554 -6.513) 15.579 14.384 ( 9.428 10.554 -6.513) 15.579 14.602 ( -5.483 -9.947 -8.814) 14.377 14.602 ( 5.483 -9.947 -8.814) 14.377 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.000 0.000 30.948) 30.948 2.145 ( 0.000 0.000 30.555) 30.555 2.952 ( 0.000 0.000 32.142) 32.142 3.773 ( 0.000 0.000 -1.427) 1.427 3.835 ( 0.000 0.000 15.934) 15.934 3.963 ( 0.000 0.000 1.881) 1.881 4.321 ( 0.000 0.000 -4.005) 4.005 4.615 ( 0.000 0.000 -5.273) 5.273 4.857 ( 0.000 0.000 -19.891) 19.891 5.151 ( 0.000 0.000 -5.104) 5.104 5.326 ( 0.000 0.000 6.621) 6.621 5.459 ( 0.000 0.000 16.687) 16.687 5.605 ( 0.000 0.000 5.425) 5.425 5.850 ( 0.000 0.000 7.343) 7.343 5.952 ( 0.000 0.000 0.303) 0.303 6.447 ( 0.000 0.000 1.504) 1.504 6.510 ( 0.000 0.000 0.802) 0.802 6.864 ( 0.000 0.000 4.964) 4.964 6.951 ( 0.000 0.000 -1.236) 1.236 7.226 ( 0.000 0.000 6.768) 6.768 7.329 ( 0.000 0.000 16.650) 16.650 7.499 ( 0.000 0.000 -6.220) 6.220 7.690 ( 0.000 0.000 -23.129) 23.129 7.856 ( 0.000 0.000 -0.571) 0.571 7.872 ( 0.000 0.000 -7.277) 7.277 7.884 ( 0.000 0.000 2.045) 2.045 8.064 ( 0.000 0.000 -0.100) 0.100 8.498 ( 0.000 0.000 -5.804) 5.804 8.685 ( 0.000 0.000 -5.350) 5.350 8.920 ( 0.000 0.000 -3.632) 3.632 9.503 ( 0.000 0.000 -8.209) 8.209 9.694 ( 0.000 0.000 -10.073) 10.073 9.793 ( 0.000 0.000 -3.620) 3.620 9.918 ( 0.000 0.000 -4.389) 4.389 10.182 ( 0.000 0.000 1.997) 1.997 10.704 ( 0.000 0.000 -5.388) 5.388 10.713 ( 0.000 0.000 2.992) 2.992 10.755 ( 0.000 0.000 -0.651) 0.651 10.936 ( 0.000 0.000 0.793) 0.793 10.941 ( 0.000 0.000 -17.214) 17.214 11.481 ( 0.000 0.000 1.459) 1.459 11.756 ( 0.000 0.000 7.941) 7.941 12.186 ( 0.000 0.000 -2.521) 2.521 12.282 ( 0.000 0.000 -0.164) 0.164 13.683 ( 0.000 0.000 8.772) 8.772 14.570 ( 0.000 0.000 -0.673) 0.673 14.758 ( 0.000 0.000 0.417) 0.417 14.781 ( 0.000 0.000 -6.272) 6.272 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -14.517 0.000 31.463) 34.651 2.170 ( 9.845 0.000 29.064) 30.686 3.338 ( 25.983 0.000 19.893) 32.724 3.729 ( -1.350 0.000 15.482) 15.541 3.760 ( -1.532 0.000 -0.686) 1.679 4.070 ( 1.634 0.000 5.500) 5.737 4.269 ( -4.662 0.000 -3.778) 6.001 4.551 ( -3.250 0.000 -2.403) 4.042 4.812 ( -7.434 0.000 -14.520) 16.312 5.168 ( 0.945 0.000 -0.987) 1.366 5.247 ( -1.748 0.000 8.832) 9.003 5.476 ( 1.171 0.000 12.520) 12.575 5.540 ( -4.207 0.000 6.957) 8.130 5.943 ( -1.607 0.000 0.699) 1.753 5.972 ( 8.362 0.000 -0.737) 8.395 6.435 ( -0.846 0.000 1.357) 1.599 6.544 ( 3.049 0.000 1.016) 3.213 6.836 ( -15.383 0.000 5.395) 16.301 6.874 ( -7.461 0.000 0.564) 7.483 7.086 ( 1.747 0.000 14.117) 14.225 7.178 ( -6.003 0.000 4.675) 7.609 7.433 ( -17.311 0.000 -9.256) 19.630 7.600 ( -0.410 0.000 -17.815) 17.819 7.811 ( 5.854 0.000 -3.383) 6.761 7.939 ( -5.945 0.000 0.314) 5.953 8.009 ( 6.132 0.000 -11.377) 12.924 8.194 ( 10.580 0.000 6.264) 12.295 8.551 ( 6.423 0.000 -5.005) 8.142 8.647 ( 1.472 0.000 -4.103) 4.359 8.986 ( 1.580 0.000 -1.696) 2.318 9.486 ( -1.477 0.000 -7.547) 7.690 9.678 ( -1.460 0.000 -9.010) 9.127 9.755 ( -3.490 0.000 -3.906) 5.238 9.917 ( -0.534 0.000 -3.301) 3.344 10.240 ( 5.336 0.000 0.984) 5.426 10.604 ( -3.994 0.000 -0.432) 4.018 10.712 ( -4.113 0.000 0.261) 4.121 10.858 ( 8.031 0.000 -2.917) 8.544 10.890 ( -4.432 0.000 2.081) 4.896 10.914 ( -1.267 0.000 -13.146) 13.207 11.562 ( 7.154 0.000 -1.068) 7.233 11.787 ( 3.002 0.000 6.607) 7.257 12.196 ( 0.814 0.000 -2.895) 3.008 12.268 ( -1.447 0.000 -0.185) 1.459 13.762 ( 7.053 0.000 7.417) 10.235 14.574 ( 0.107 0.000 -0.736) 0.743 14.703 ( -4.083 0.000 -1.261) 4.273 14.797 ( 0.426 0.000 -6.544) 6.558 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 5.961 0.000 23.627) 24.367 2.436 ( 16.534 0.000 24.516) 29.570 3.553 ( 2.666 0.000 -2.925) 3.957 3.698 ( -5.453 0.000 1.675) 5.705 3.800 ( -15.840 0.000 7.896) 17.699 4.121 ( 17.714 0.000 10.665) 20.677 4.169 ( -4.652 0.000 -2.772) 5.415 4.565 ( -14.675 0.000 0.560) 14.685 4.604 ( 9.355 0.000 12.018) 15.230 5.154 ( -2.376 0.000 10.697) 10.957 5.340 ( 9.352 0.000 1.189) 9.428 5.460 ( -0.128 0.000 2.333) 2.336 5.552 ( 3.249 0.000 7.571) 8.239 5.918 ( 1.397 0.000 2.660) 3.005 6.090 ( 2.859 0.000 -5.360) 6.075 6.406 ( -2.446 0.000 -0.165) 2.452 6.445 ( -17.884 0.000 9.539) 20.270 6.624 ( 3.438 0.000 -2.615) 4.319 6.669 ( -10.559 0.000 4.820) 11.607 7.006 ( -22.003 0.000 -3.693) 22.310 7.059 ( -4.735 0.000 -4.433) 6.486 7.345 ( 12.778 0.000 3.913) 13.363 7.558 ( -18.889 0.000 -4.913) 19.518 7.674 ( 6.028 0.000 -16.064) 17.158 8.031 ( 7.991 0.000 2.068) 8.255 8.112 ( 2.800 0.000 -11.312) 11.653 8.382 ( 10.459 0.000 2.689) 10.799 8.693 ( 0.528 0.000 -0.997) 1.128 8.768 ( 13.693 0.000 -1.411) 13.766 8.926 ( -6.824 0.000 0.483) 6.841 9.463 ( -0.552 0.000 -6.846) 6.868 9.632 ( -3.212 0.000 -6.469) 7.222 9.671 ( -4.725 0.000 -3.214) 5.714 9.883 ( -3.118 0.000 -1.564) 3.488 10.365 ( 6.656 0.000 -0.446) 6.671 10.557 ( -0.785 0.000 -1.871) 2.029 10.610 ( -5.536 0.000 2.677) 6.149 10.774 ( -6.980 0.000 4.543) 8.329 10.912 ( 1.619 0.000 -3.465) 3.825 11.004 ( 5.397 0.000 -6.713) 8.614 11.736 ( 10.145 0.000 -3.834) 10.845 11.866 ( 4.741 0.000 4.004) 6.205 12.210 ( 0.311 0.000 -3.758) 3.771 12.226 ( -2.840 0.000 -0.195) 2.846 13.915 ( 7.596 0.000 6.350) 9.901 14.526 ( -6.171 0.000 2.982) 6.853 14.657 ( 0.739 0.000 -7.265) 7.302 14.795 ( -0.505 0.000 -8.864) 8.879 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 24.608 0.000 11.484) 27.156 2.797 ( 19.470 0.000 18.906) 27.139 3.295 ( -29.271 0.000 3.521) 29.482 3.512 ( -13.652 0.000 6.386) 15.072 3.693 ( 9.848 0.000 -7.811) 12.570 4.117 ( -0.144 0.000 -0.260) 0.298 4.210 ( -8.668 0.000 -4.514) 9.772 4.312 ( -10.186 0.000 4.535) 11.150 4.931 ( 16.214 0.000 22.584) 27.802 5.136 ( 1.132 0.000 18.663) 18.697 5.511 ( 8.636 0.000 6.973) 11.099 5.564 ( 12.724 0.000 -0.124) 12.725 5.653 ( 7.606 0.000 -0.273) 7.611 5.989 ( -1.220 0.000 -0.566) 1.345 6.053 ( -7.595 0.000 -0.444) 7.608 6.219 ( -1.315 0.000 9.040) 9.135 6.352 ( -1.636 0.000 -4.152) 4.463 6.459 ( -7.006 0.000 -2.039) 7.297 6.549 ( -21.516 0.000 3.846) 21.857 6.749 ( 6.367 0.000 -3.625) 7.327 6.975 ( -4.504 0.000 -6.911) 8.249 7.048 ( -24.204 0.000 -3.130) 24.405 7.734 ( 17.783 0.000 2.147) 17.912 7.810 ( 7.566 0.000 -15.601) 17.338 8.087 ( -4.565 0.000 -12.447) 13.257 8.145 ( 2.072 0.000 0.330) 2.098 8.647 ( -3.686 0.000 1.885) 4.140 8.652 ( 15.635 0.000 0.484) 15.642 8.773 ( -7.608 0.000 1.360) 7.729 8.988 ( 5.941 0.000 -1.671) 6.172 9.467 ( 0.973 0.000 -5.921) 6.001 9.562 ( -3.593 0.000 -5.034) 6.185 9.594 ( -1.609 0.000 -0.469) 1.676 9.790 ( -6.204 0.000 0.052) 6.205 10.480 ( 4.613 0.000 -1.295) 4.792 10.525 ( -2.392 0.000 5.362) 5.872 10.556 ( 0.079 0.000 -2.139) 2.141 10.634 ( -6.704 0.000 6.391) 9.262 10.965 ( 3.411 0.000 -1.505) 3.728 11.060 ( 0.322 0.000 -4.138) 4.150 11.942 ( 10.116 0.000 -5.430) 11.481 11.966 ( 5.259 0.000 1.836) 5.570 12.157 ( -4.061 0.000 -0.035) 4.062 12.194 ( -2.243 0.000 -4.749) 5.253 14.056 ( 6.971 0.000 6.105) 9.266 14.370 ( -8.722 0.000 4.014) 9.601 14.697 ( 2.588 0.000 -10.203) 10.526 14.778 ( -1.267 0.000 -10.577) 10.652 ======================= Grid point 193 (65/120) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -31.455 0.000 4.528) 31.779 2.683 ( 31.455 0.000 4.528) 31.779 3.182 ( -18.915 0.000 12.775) 22.825 3.182 ( 18.915 0.000 12.775) 22.825 3.949 ( -14.912 0.000 -7.506) 16.695 3.949 ( 14.912 0.000 -7.506) 16.695 4.165 ( -4.916 0.000 2.703) 5.610 4.165 ( 4.916 0.000 2.703) 5.610 5.106 ( -4.706 0.000 18.577) 19.164 5.106 ( 4.706 0.000 18.577) 19.164 5.790 ( -7.888 0.000 0.044) 7.888 5.790 ( 7.888 0.000 0.044) 7.888 5.827 ( -13.471 0.000 1.110) 13.517 5.827 ( 13.471 0.000 1.110) 13.517 5.961 ( -19.757 0.000 9.579) 21.956 5.961 ( 19.757 0.000 9.579) 21.956 6.368 ( -2.805 0.000 -4.978) 5.714 6.368 ( 2.805 0.000 -4.978) 5.714 6.598 ( -19.945 0.000 1.634) 20.012 6.598 ( 19.945 0.000 1.634) 20.012 6.872 ( -5.894 0.000 -6.258) 8.596 6.872 ( 5.894 0.000 -6.258) 8.596 7.962 ( -7.470 0.000 -14.333) 16.162 7.962 ( 7.470 0.000 -14.333) 16.162 8.044 ( -12.093 0.000 0.104) 12.093 8.044 ( 12.093 0.000 0.104) 12.093 8.647 ( -4.323 0.000 2.530) 5.009 8.647 ( 4.323 0.000 2.530) 5.009 8.931 ( -10.742 0.000 -1.702) 10.876 8.931 ( 10.742 0.000 -1.702) 10.876 9.501 ( -2.437 0.000 -5.106) 5.658 9.501 ( 2.437 0.000 -5.106) 5.658 9.653 ( -6.659 0.000 1.220) 6.770 9.653 ( 6.659 0.000 1.220) 6.770 10.532 ( -3.095 0.000 6.766) 7.440 10.532 ( 3.095 0.000 6.766) 7.440 10.542 ( -1.767 0.000 -1.749) 2.486 10.542 ( 1.767 0.000 -1.749) 2.486 11.031 ( -2.829 0.000 -2.034) 3.484 11.031 ( 2.829 0.000 -2.034) 3.484 12.068 ( -4.939 0.000 0.545) 4.969 12.068 ( 4.939 0.000 0.545) 4.969 12.110 ( -6.481 0.000 -5.523) 8.515 12.110 ( 6.481 0.000 -5.523) 8.515 14.202 ( -8.025 0.000 5.147) 9.534 14.202 ( 8.025 0.000 5.147) 9.534 14.745 ( -2.101 0.000 -11.151) 11.348 14.745 ( 2.101 0.000 -11.151) 11.348 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.000 12.014 27.314) 29.839 2.218 ( 0.000 6.832 28.168) 28.985 3.151 ( 0.000 16.538 24.746) 29.764 3.698 ( 0.000 -8.521 16.962) 18.982 3.809 ( 0.000 0.201 -0.313) 0.372 3.961 ( 0.000 2.776 3.666) 4.598 4.405 ( 0.000 6.317 -1.934) 6.606 4.632 ( 0.000 -16.914 -14.759) 22.448 4.689 ( 0.000 5.477 -3.171) 6.328 5.112 ( 0.000 -7.158 0.594) 7.182 5.219 ( 0.000 -17.512 16.595) 24.126 5.287 ( 0.000 2.280 -1.645) 2.811 5.762 ( 0.000 8.023 6.382) 10.251 5.763 ( 0.000 -7.066 8.964) 11.414 6.024 ( 0.000 1.960 1.432) 2.427 6.446 ( 0.000 0.867 -0.295) 0.916 6.582 ( 0.000 6.339 0.347) 6.348 6.789 ( 0.000 -13.538 -0.325) 13.542 6.910 ( 0.000 2.263 5.831) 6.255 7.160 ( 0.000 -5.548 6.621) 8.638 7.375 ( 0.000 -0.789 1.142) 1.388 7.417 ( 0.000 -6.126 -4.581) 7.649 7.513 ( 0.000 -6.461 -6.374) 9.076 7.845 ( 0.000 -0.511 -5.320) 5.344 7.980 ( 0.000 -0.805 -5.437) 5.496 8.022 ( 0.000 9.748 2.552) 10.076 8.062 ( 0.000 7.679 -2.956) 8.228 8.492 ( 0.000 0.007 -4.159) 4.159 8.756 ( 0.000 5.223 -6.375) 8.242 8.905 ( 0.000 -1.260 -3.083) 3.330 9.397 ( 0.000 -7.717 -9.086) 11.921 9.719 ( 0.000 -1.969 -11.104) 11.277 9.842 ( 0.000 -1.460 -3.082) 3.411 9.845 ( 0.000 2.780 -5.925) 6.545 10.238 ( 0.000 4.549 2.972) 5.433 10.634 ( 0.000 -7.752 -9.797) 12.493 10.703 ( 0.000 0.994 0.483) 1.105 10.812 ( 0.000 3.928 2.224) 4.514 10.870 ( 0.000 0.129 -7.804) 7.805 10.998 ( 0.000 -0.044 1.827) 1.828 11.424 ( 0.000 -2.997 1.609) 3.402 11.917 ( 0.000 12.610 8.236) 15.061 12.227 ( 0.000 6.890 -5.798) 9.005 12.374 ( 0.000 3.018 0.467) 3.054 13.690 ( 0.000 0.833 7.311) 7.358 14.554 ( 0.000 -3.012 -5.651) 6.404 14.743 ( 0.000 -2.166 -2.511) 3.316 14.767 ( 0.000 0.896 -2.198) 2.374 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.12 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -11.731 8.466 28.113) 31.617 2.356 ( 9.284 15.459 26.071) 31.699 3.372 ( 10.301 -0.836 7.375) 12.697 3.737 ( 12.363 5.839 23.950) 27.578 3.835 ( 0.263 4.724 1.976) 5.128 3.988 ( 0.924 -4.585 5.636) 7.324 4.308 ( -9.206 3.615 -2.726) 10.259 4.627 ( -0.824 -12.661 -11.234) 16.947 4.638 ( -4.112 5.201 -1.319) 6.760 5.096 ( -0.576 -6.012 4.682) 7.642 5.198 ( 1.390 -9.598 12.787) 16.049 5.404 ( 7.711 -2.002 1.704) 8.147 5.597 ( -10.643 4.244 6.992) 13.423 5.823 ( 2.024 -5.800 1.445) 6.311 6.039 ( 0.490 -1.282 3.042) 3.337 6.444 ( -0.024 1.481 -0.488) 1.559 6.606 ( 1.357 5.349 0.150) 5.521 6.739 ( -5.189 -11.702 1.152) 12.852 6.849 ( -14.343 0.249 3.813) 14.843 7.094 ( -1.892 0.358 12.695) 12.841 7.201 ( -5.803 1.208 0.180) 5.930 7.388 ( -0.725 -10.787 -9.823) 14.608 7.464 ( -7.702 -0.468 -8.240) 11.289 7.769 ( -1.226 -5.305 -6.084) 8.164 7.968 ( -6.575 7.002 -9.786) 13.712 8.168 ( 10.151 6.660 -0.035) 12.141 8.232 ( 12.881 3.948 6.450) 14.937 8.470 ( -2.026 -3.271 -6.360) 7.434 8.741 ( 4.358 5.477 -4.241) 8.184 8.959 ( 0.897 -2.162 -1.776) 2.938 9.389 ( -0.879 -7.283 -7.459) 10.462 9.655 ( -4.812 -3.101 -10.090) 11.601 9.829 ( -0.320 4.256 -3.886) 5.772 9.919 ( 4.059 2.619 -5.113) 7.034 10.265 ( 2.957 2.139 2.212) 4.268 10.627 ( -4.025 1.955 -0.370) 4.490 10.680 ( 1.344 -9.442 -8.199) 12.577 10.761 ( -3.794 3.249 0.826) 5.063 10.881 ( -2.138 -1.569 -3.109) 4.086 10.976 ( 0.991 1.751 0.238) 2.026 11.517 ( 7.925 -3.107 0.918) 8.562 11.924 ( 0.713 11.775 7.778) 14.130 12.242 ( 1.421 7.798 -5.810) 9.828 12.387 ( 1.105 4.681 0.117) 4.811 13.753 ( 5.788 -0.516 6.354) 8.610 14.554 ( -0.202 -3.039 -4.998) 5.853 14.707 ( -3.659 0.595 -3.033) 4.790 14.757 ( -0.622 -2.647 -3.813) 4.683 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.25 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 5.695 10.231 21.231) 24.246 2.596 ( 14.469 14.011 22.496) 30.195 3.455 ( 3.624 -8.529 -4.212) 10.179 3.784 ( -6.379 7.465 3.938) 10.579 3.861 ( -17.786 5.454 5.496) 19.398 3.984 ( 0.508 -7.978 3.433) 8.700 4.312 ( 16.259 9.192 9.746) 21.068 4.520 ( -4.757 -0.591 5.890) 7.594 4.653 ( 3.177 0.523 -0.157) 3.224 5.083 ( -1.144 -6.293 12.325) 13.886 5.283 ( 6.201 -5.847 10.677) 13.662 5.443 ( -2.090 -1.243 2.294) 3.343 5.558 ( 7.487 1.799 0.900) 7.753 5.827 ( -0.579 -6.708 1.784) 6.965 6.063 ( 2.299 -6.086 -1.680) 6.719 6.379 ( -15.900 -4.952 3.725) 17.065 6.490 ( -4.573 5.213 1.358) 7.067 6.572 ( -5.466 -3.042 0.845) 6.312 6.696 ( -1.129 3.213 2.076) 3.988 6.986 ( -7.817 -5.591 -4.992) 10.830 7.030 ( -18.841 1.751 -3.530) 19.248 7.375 ( 9.316 1.640 -0.535) 9.474 7.533 ( -2.758 -1.572 -4.122) 5.203 7.641 ( -2.007 -5.451 -6.962) 9.067 7.923 ( 3.548 -0.457 -7.232) 8.068 8.225 ( -3.848 3.419 -6.441) 8.246 8.449 ( 11.029 3.874 3.125) 12.100 8.582 ( 8.894 -4.684 0.873) 10.090 8.869 ( 7.283 5.456 -2.589) 9.461 8.909 ( -4.997 -0.873 -0.423) 5.091 9.369 ( -0.822 -6.796 -5.059) 8.512 9.561 ( -4.444 -3.117 -9.097) 10.594 9.812 ( -1.379 7.132 -2.140) 7.573 9.958 ( -0.496 7.429 -2.547) 7.869 10.352 ( 5.075 -1.049 -0.244) 5.188 10.536 ( -4.345 -2.608 0.387) 5.082 10.638 ( -5.168 -0.774 1.943) 5.575 10.717 ( -2.233 0.655 0.619) 2.407 10.858 ( 2.187 -5.480 -6.332) 8.655 11.019 ( 1.926 0.653 -2.456) 3.189 11.691 ( 8.938 -4.124 0.884) 9.883 11.941 ( 0.849 9.215 6.712) 11.432 12.280 ( 2.311 10.671 -5.699) 12.316 12.411 ( 1.136 8.243 -0.918) 8.371 13.885 ( 6.988 -2.338 5.228) 9.035 14.510 ( -5.689 -1.636 0.271) 5.926 14.645 ( -0.844 -1.409 -9.246) 9.391 14.743 ( -0.791 -4.072 -6.358) 7.591 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.38 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 22.879 8.201 10.681) 26.548 2.896 ( 14.429 8.644 17.041) 23.944 3.376 ( -26.814 7.094 2.326) 27.834 3.536 ( -5.528 -0.036 0.099) 5.529 3.651 ( 3.057 -0.957 0.810) 3.304 3.980 ( -0.925 -5.624 3.007) 6.444 4.331 ( -5.420 5.882 0.293) 8.004 4.423 ( -10.501 7.764 -2.391) 13.277 4.913 ( 14.894 -1.979 17.888) 23.361 5.106 ( 3.347 -2.616 18.108) 18.600 5.430 ( 8.411 -7.646 4.664) 12.287 5.511 ( 10.447 -0.218 5.607) 11.859 5.727 ( 9.853 2.558 -0.430) 10.188 5.845 ( 0.463 -11.218 5.113) 12.337 6.011 ( -14.163 -3.017 0.199) 14.483 6.140 ( 2.892 -7.520 -1.984) 8.297 6.391 ( -8.309 -5.820 -0.929) 10.187 6.528 ( -3.145 10.800 -2.519) 11.527 6.588 ( -17.682 4.210 3.414) 18.494 6.700 ( 1.021 0.725 -1.940) 2.309 6.896 ( -3.279 -6.000 -5.781) 8.954 7.153 ( -18.697 5.504 -4.547) 20.014 7.695 ( 13.518 -5.316 -3.398) 14.917 7.786 ( 8.930 -2.855 -6.241) 11.263 8.011 ( 3.100 -2.814 -5.474) 6.892 8.125 ( -5.239 -1.643 -8.267) 9.924 8.582 ( 0.619 -4.003 2.714) 4.876 8.674 ( -1.037 -1.317 1.615) 2.328 8.858 ( 4.529 7.516 -0.541) 8.791 9.015 ( 5.523 2.491 -1.976) 6.372 9.367 ( 0.870 -6.229 -3.580) 7.237 9.481 ( -3.800 -2.055 -7.347) 8.523 9.791 ( -0.127 10.045 -0.020) 10.046 9.910 ( -3.960 9.875 0.013) 10.639 10.406 ( -0.447 -2.964 1.483) 3.345 10.458 ( -3.792 -6.365 4.187) 8.510 10.579 ( 0.802 -0.103 1.136) 1.394 10.667 ( -2.169 2.693 -0.512) 3.495 10.931 ( 4.073 -4.281 -5.086) 7.796 11.034 ( -0.518 -1.883 -3.819) 4.289 11.843 ( 6.075 -4.715 2.248) 8.012 11.950 ( -0.130 4.380 5.390) 6.946 12.335 ( 3.220 14.224 -5.326) 15.526 12.422 ( -0.235 11.795 -2.557) 12.072 14.023 ( 7.118 -2.724 4.463) 8.833 14.352 ( -9.130 -1.294 2.134) 9.465 14.663 ( 1.729 -3.578 -11.370) 12.044 14.725 ( -1.132 -4.478 -8.979) 10.098 ======================= Grid point 202 (70/120) ======================= q-point: (-0.50 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -28.481 4.588 4.655) 29.221 2.730 ( 28.481 4.588 4.655) 29.221 3.274 ( -14.573 8.208 10.478) 19.736 3.274 ( 14.573 8.208 10.478) 19.736 3.868 ( -11.420 -4.733 -1.451) 12.447 3.868 ( 11.420 -4.733 -1.451) 12.447 4.274 ( -1.589 7.230 -0.578) 7.425 4.274 ( 1.589 7.230 -0.578) 7.425 5.090 ( -5.129 -1.859 16.224) 17.116 5.090 ( 5.129 -1.859 16.224) 17.116 5.649 ( -12.560 -9.183 3.025) 15.850 5.649 ( 12.560 -9.183 3.025) 15.850 5.782 ( -8.257 -3.919 2.430) 9.457 5.782 ( 8.257 -3.919 2.430) 9.457 6.083 ( -21.161 5.742 6.585) 22.894 6.083 ( 21.161 5.742 6.585) 22.894 6.248 ( -6.852 -7.660 -3.611) 10.894 6.248 ( 6.852 -7.660 -3.611) 10.894 6.671 ( -6.452 5.727 -3.688) 9.382 6.671 ( 6.452 5.727 -3.688) 9.382 6.886 ( -5.309 0.844 -3.090) 6.200 6.886 ( 5.309 0.844 -3.090) 6.200 7.885 ( -4.024 -8.039 -8.460) 12.345 7.885 ( 4.024 -8.039 -8.460) 12.345 8.036 ( -4.208 0.800 -4.579) 6.270 8.036 ( 4.208 0.800 -4.579) 6.270 8.598 ( -3.334 -3.390 2.286) 5.275 8.598 ( 3.334 -3.390 2.286) 5.275 9.008 ( -6.160 5.270 -1.670) 8.277 9.008 ( 6.160 5.270 -1.670) 8.277 9.411 ( -3.240 -3.998 -4.749) 7.003 9.411 ( 3.240 -3.998 -4.749) 7.003 9.826 ( -3.689 11.396 1.077) 12.027 9.826 ( 3.689 11.396 1.077) 12.027 10.401 ( -1.270 -5.917 4.863) 7.764 10.401 ( 1.270 -5.917 4.863) 7.764 10.625 ( -2.458 1.721 -1.010) 3.166 10.625 ( 2.458 1.721 -1.010) 3.166 11.000 ( -2.758 -3.162 -4.254) 5.975 11.000 ( 2.758 -3.162 -4.254) 5.975 11.926 ( -2.512 -1.385 3.962) 4.891 11.926 ( 2.512 -1.385 3.962) 4.891 12.395 ( -2.488 14.437 -4.249) 15.254 12.395 ( 2.488 14.437 -4.249) 15.254 14.175 ( -8.469 -2.116 3.266) 9.320 14.175 ( 8.469 -2.116 3.266) 9.320 14.698 ( -1.623 -4.346 -10.837) 11.789 14.698 ( 1.623 -4.346 -10.837) 11.789 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 0.000 11.387 21.798) 24.593 2.519 ( 0.000 16.913 21.791) 27.584 3.250 ( 0.000 -10.044 6.122) 11.763 3.685 ( 0.000 -11.290 7.471) 13.538 3.881 ( 0.000 27.053 25.647) 37.277 4.141 ( 0.000 11.954 4.935) 12.933 4.296 ( 0.000 -12.040 -8.852) 14.944 4.534 ( 0.000 3.671 -1.010) 3.807 4.740 ( 0.000 -2.897 3.487) 4.533 4.909 ( 0.000 -7.503 13.796) 15.704 4.964 ( 0.000 -6.291 0.920) 6.358 5.323 ( 0.000 -0.073 -4.288) 4.289 5.605 ( 0.000 -6.324 7.618) 9.901 5.841 ( 0.000 0.271 9.747) 9.751 5.992 ( 0.000 -3.940 4.428) 5.927 6.381 ( 0.000 -22.159 0.301) 22.161 6.519 ( 0.000 3.448 -1.848) 3.912 6.729 ( 0.000 6.635 -0.178) 6.637 6.950 ( 0.000 0.746 7.350) 7.388 6.994 ( 0.000 -10.299 -0.783) 10.329 7.205 ( 0.000 -7.441 -11.458) 13.662 7.283 ( 0.000 -6.252 -4.407) 7.649 7.589 ( 0.000 6.889 8.694) 11.093 7.832 ( 0.000 -0.887 -8.222) 8.270 7.985 ( 0.000 3.042 1.268) 3.296 8.182 ( 0.000 3.813 1.565) 4.122 8.266 ( 0.000 10.126 -6.839) 12.220 8.530 ( 0.000 3.763 -1.485) 4.045 8.852 ( 0.000 3.325 -7.085) 7.826 8.882 ( 0.000 -0.627 -2.121) 2.212 9.248 ( 0.000 -5.375 -11.779) 12.948 9.559 ( 0.000 -9.380 -8.766) 12.839 9.885 ( 0.000 1.523 -8.321) 8.459 9.932 ( 0.000 5.414 -4.335) 6.936 10.321 ( 0.000 2.653 3.718) 4.568 10.446 ( 0.000 -8.276 -13.512) 15.845 10.759 ( 0.000 3.333 -1.522) 3.664 10.892 ( 0.000 0.692 -1.872) 1.996 10.909 ( 0.000 4.912 2.437) 5.483 10.963 ( 0.000 -2.045 6.197) 6.525 11.422 ( 0.000 4.245 3.956) 5.803 12.212 ( 0.000 14.568 8.132) 16.684 12.303 ( 0.000 -9.751 4.624) 10.791 12.438 ( 0.000 10.718 -8.687) 13.796 13.725 ( 0.000 2.793 4.850) 5.597 14.387 ( 0.000 -12.284 -10.117) 15.914 14.750 ( 0.000 2.260 -0.675) 2.359 14.795 ( 0.000 1.590 -6.768) 6.952 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.12 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -8.236 15.284 21.130) 27.348 2.714 ( 11.790 17.090 20.694) 29.314 3.219 ( -1.893 -11.326 3.021) 11.874 3.727 ( 3.139 -11.920 8.058) 14.727 4.047 ( 9.093 16.348 16.599) 25.010 4.117 ( 1.575 14.511 7.887) 16.591 4.334 ( 3.334 -2.823 -3.169) 5.397 4.466 ( -5.176 3.559 -2.095) 6.621 4.720 ( -1.678 -0.434 3.509) 3.914 4.911 ( -1.205 -9.751 7.116) 12.131 4.982 ( 4.174 -7.136 10.894) 13.676 5.394 ( 5.748 -2.126 -4.827) 7.801 5.589 ( -2.483 -3.868 8.608) 9.758 5.764 ( -5.206 0.353 4.556) 6.927 5.933 ( -5.398 -6.809 5.442) 10.252 6.381 ( -1.130 -20.664 1.723) 20.767 6.499 ( -1.138 3.251 -3.153) 4.670 6.725 ( -4.588 2.662 3.778) 6.512 6.850 ( -4.026 0.642 0.880) 4.171 7.080 ( -4.310 -11.164 -13.921) 18.357 7.100 ( -6.589 0.363 5.737) 8.744 7.250 ( 7.629 -1.623 2.161) 8.094 7.517 ( -7.436 4.468 -4.462) 9.755 7.725 ( -5.373 -0.107 -5.397) 7.617 8.089 ( -8.369 4.697 -8.692) 12.948 8.219 ( 13.388 0.921 3.909) 13.977 8.348 ( 10.587 4.684 3.301) 12.038 8.472 ( -9.240 2.452 -5.064) 10.818 8.845 ( 4.623 3.951 -4.200) 7.391 8.919 ( 0.717 -1.427 -2.044) 2.594 9.251 ( 0.133 -4.315 -9.541) 10.472 9.540 ( -2.321 -6.563 -8.784) 11.208 9.934 ( 1.759 3.969 -4.997) 6.619 9.991 ( 7.680 4.138 -7.551) 11.537 10.308 ( -0.985 1.222 3.860) 4.167 10.482 ( 2.614 -8.181 -12.756) 15.378 10.679 ( -5.481 2.881 0.589) 6.220 10.819 ( -7.051 -0.355 4.036) 8.132 10.884 ( -2.917 3.103 1.260) 4.442 10.988 ( 2.104 -0.055 -1.663) 2.683 11.508 ( 7.619 4.116 5.063) 10.031 12.212 ( -0.131 14.475 8.284) 16.679 12.351 ( 4.457 -8.170 4.387) 10.288 12.467 ( 2.747 10.865 -8.172) 13.870 13.761 ( 3.483 1.810 3.989) 5.596 14.396 ( 0.924 -11.692 -9.946) 15.378 14.733 ( -1.981 1.653 -2.754) 3.774 14.740 ( -5.059 0.977 -5.683) 7.671 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.25 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 5.167 16.921 15.639) 23.614 2.947 ( 11.096 17.704 19.202) 28.378 3.233 ( 4.550 -12.187 -2.609) 13.268 3.756 ( -1.724 -10.825 7.065) 13.041 3.987 ( -7.437 10.524 6.524) 14.444 4.063 ( -13.279 11.112 -0.002) 17.315 4.441 ( 6.659 -0.561 0.290) 6.689 4.602 ( 12.644 9.958 8.247) 18.084 4.675 ( -1.188 4.283 4.060) 6.019 4.887 ( 1.525 -11.554 13.600) 17.911 5.121 ( 8.564 -9.514 11.734) 17.365 5.414 ( -3.027 -3.041 2.835) 5.142 5.600 ( 3.611 0.023 2.812) 4.577 5.715 ( 0.964 -1.235 2.405) 2.871 5.828 ( -3.264 -12.493 -0.837) 12.939 6.264 ( -12.695 -7.589 0.672) 14.806 6.472 ( -7.387 -4.594 3.947) 9.552 6.549 ( 0.421 -0.787 -0.449) 0.999 6.845 ( -0.379 4.605 1.441) 4.840 6.892 ( -9.362 2.285 -10.015) 13.899 7.032 ( -8.012 -2.645 -2.507) 8.802 7.364 ( -0.348 -2.245 -5.095) 5.578 7.497 ( 10.583 -0.880 4.115) 11.389 7.564 ( -11.940 -1.337 -7.883) 14.370 7.981 ( -0.317 4.590 -6.157) 7.686 8.259 ( -10.011 -0.214 -6.301) 11.831 8.438 ( 7.294 -1.337 3.477) 8.190 8.564 ( 8.801 -0.631 2.408) 9.146 8.901 ( 1.131 0.989 -2.913) 3.278 8.990 ( 6.187 4.288 -1.301) 7.639 9.254 ( 0.569 -2.565 -6.794) 7.285 9.481 ( -3.102 -4.359 -7.874) 9.519 9.957 ( 0.903 6.463 -1.078) 6.614 10.136 ( 4.013 8.283 -6.599) 11.325 10.318 ( 3.524 -2.659 1.514) 4.667 10.457 ( -5.779 -3.198 -1.432) 6.758 10.616 ( -4.540 -0.316 1.272) 4.725 10.706 ( 0.498 -5.914 -1.535) 6.130 10.807 ( -4.401 3.287 -1.278) 5.639 11.008 ( -0.373 -1.835 -4.714) 5.073 11.684 ( 9.647 5.238 6.459) 12.736 12.197 ( -1.617 13.950 8.599) 16.467 12.457 ( 5.737 -4.328 3.741) 8.102 12.535 ( 3.829 10.600 -6.419) 12.970 13.852 ( 5.607 0.285 1.962) 5.947 14.417 ( 0.627 -8.768 -7.959) 11.858 14.600 ( -7.798 -0.839 -8.653) 11.678 14.690 ( -2.637 -1.031 -3.869) 4.794 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.38 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 18.892 14.381 8.076) 25.079 3.110 ( 3.463 10.528 12.795) 16.927 3.367 ( 3.228 -8.231 -5.763) 10.554 3.643 ( -9.171 -2.232 4.711) 10.549 3.687 ( -7.860 15.188 5.760) 18.045 3.992 ( -1.782 8.251 9.640) 12.814 4.460 ( -3.148 5.305 2.049) 6.500 4.507 ( -9.999 -0.037 -4.477) 10.956 4.839 ( 9.407 -4.489 11.299) 15.373 5.033 ( 5.785 -4.552 13.432) 15.316 5.281 ( 7.578 -8.511 11.724) 16.350 5.456 ( 5.367 -8.737 5.301) 11.543 5.617 ( 2.728 -2.832 3.871) 5.518 5.732 ( -0.568 -7.220 1.371) 7.371 5.918 ( 2.620 -5.144 -7.470) 9.441 5.989 ( -1.708 1.441 -0.150) 2.239 6.295 ( -11.494 -4.120 0.209) 12.212 6.654 ( 5.304 -5.033 -1.150) 7.402 6.701 ( -13.145 5.929 0.531) 14.430 6.778 ( -5.499 1.550 -3.550) 6.727 6.848 ( -1.379 10.997 -1.786) 11.226 7.226 ( -16.407 1.607 -6.094) 17.576 7.504 ( 8.110 -10.728 -3.999) 14.030 7.677 ( 4.827 -7.919 -0.412) 9.284 8.041 ( 4.630 4.495 -5.479) 8.465 8.118 ( -3.538 1.590 -6.287) 7.387 8.501 ( 0.014 -3.554 2.640) 4.427 8.607 ( -3.715 -4.638 0.554) 5.968 8.994 ( 7.368 4.936 -1.481) 8.992 9.095 ( 3.919 4.208 -2.033) 6.099 9.286 ( 2.720 -1.212 -5.098) 5.903 9.424 ( -2.898 -3.619 -6.501) 7.985 9.984 ( 2.312 8.298 2.174) 8.884 10.136 ( -2.609 10.321 0.935) 10.687 10.334 ( -4.539 -3.160 4.811) 7.330 10.396 ( -1.331 0.514 1.380) 1.985 10.524 ( 1.078 -4.254 0.483) 4.415 10.718 ( -4.496 2.009 -4.460) 6.644 10.796 ( 5.542 -7.651 -6.876) 11.685 10.974 ( -2.909 -4.125 -6.194) 7.990 11.872 ( 9.030 7.619 7.666) 14.084 12.141 ( -4.200 12.626 8.788) 15.946 12.559 ( 4.256 0.257 2.377) 4.882 12.600 ( 2.306 8.552 -3.449) 9.506 13.981 ( 7.489 0.032 -0.393) 7.500 14.341 ( -8.888 0.616 -2.596) 9.280 14.526 ( 1.145 -8.894 -12.750) 15.588 14.634 ( -3.015 -4.150 -7.159) 8.807 ======================= Grid point 211 (75/120) ======================= q-point: (-0.50 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -22.795 9.404 4.118) 25.000 2.877 ( 22.795 9.404 4.118) 25.000 3.440 ( -9.076 3.381 2.515) 10.007 3.440 ( 9.076 3.381 2.515) 10.007 3.847 ( -12.736 5.952 8.356) 16.354 3.847 ( 12.736 5.952 8.356) 16.354 4.403 ( -0.574 4.568 0.304) 4.614 4.403 ( 0.574 4.568 0.304) 4.614 5.007 ( -6.497 -6.166 10.288) 13.641 5.007 ( 6.497 -6.166 10.288) 13.641 5.439 ( -7.261 -13.334 12.586) 19.722 5.439 ( 7.261 -13.334 12.586) 19.722 5.674 ( -4.209 -2.869 -5.295) 7.348 5.674 ( 4.209 -2.869 -5.295) 7.348 6.018 ( -14.836 -6.691 -4.777) 16.962 6.018 ( 14.836 -6.691 -4.777) 16.962 6.295 ( -20.041 8.123 4.168) 22.023 6.295 ( 20.041 8.123 4.168) 22.023 6.779 ( -1.211 1.134 -0.446) 1.718 6.779 ( 1.211 1.134 -0.446) 1.718 6.918 ( -13.119 5.074 -4.399) 14.738 6.918 ( 13.119 5.074 -4.399) 14.738 7.656 ( -5.872 -12.746 -4.304) 14.679 7.656 ( 5.872 -12.746 -4.304) 14.679 8.101 ( -0.769 5.326 -5.043) 7.375 8.101 ( 0.769 5.326 -5.043) 7.375 8.516 ( -3.278 -4.734 1.398) 5.926 8.516 ( 3.278 -4.734 1.398) 5.926 9.109 ( -3.028 4.442 -2.101) 5.772 9.109 ( 3.028 4.442 -2.101) 5.772 9.356 ( -3.947 -2.076 -5.329) 6.949 9.356 ( 3.947 -2.076 -5.329) 6.949 10.056 ( -4.669 9.716 3.630) 11.374 10.056 ( 4.669 9.716 3.630) 11.374 10.318 ( -2.871 -1.844 6.328) 7.190 10.318 ( 2.871 -1.844 6.328) 7.190 10.620 ( -5.548 -1.139 -5.113) 7.630 10.620 ( 5.548 -1.139 -5.113) 7.630 10.899 ( -4.634 -6.203 -6.999) 10.437 10.899 ( 4.634 -6.203 -6.999) 10.437 12.031 ( -6.937 10.392 8.534) 15.131 12.031 ( 6.937 10.392 8.534) 15.131 12.614 ( -1.085 4.754 -0.134) 4.878 12.614 ( 1.085 4.754 -0.134) 4.878 14.149 ( -9.529 0.772 -2.169) 9.803 14.149 ( 9.529 0.772 -2.169) 9.803 14.574 ( -2.978 -7.242 -10.250) 12.899 14.574 ( 2.978 -7.242 -10.250) 12.899 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 0.000 12.695 13.541) 18.561 2.852 ( 0.000 6.815 11.325) 13.218 3.041 ( 0.000 -0.410 14.724) 14.730 3.359 ( 0.000 -18.614 13.739) 23.135 4.177 ( 0.000 1.511 2.444) 2.873 4.278 ( 0.000 -2.393 13.204) 13.419 4.425 ( 0.000 13.364 6.091) 14.687 4.588 ( 0.000 14.151 2.348) 14.345 4.669 ( 0.000 -8.110 7.809) 11.259 4.830 ( 0.000 -7.607 0.092) 7.607 4.959 ( 0.000 13.487 5.654) 14.624 5.250 ( 0.000 -8.422 -1.801) 8.613 5.572 ( 0.000 4.410 4.271) 6.139 5.815 ( 0.000 -7.882 13.604) 15.722 5.895 ( 0.000 -14.167 0.003) 14.167 5.903 ( 0.000 -3.856 6.716) 7.744 6.618 ( 0.000 5.238 -3.501) 6.300 6.755 ( 0.000 -7.680 -4.695) 9.001 6.869 ( 0.000 3.267 0.902) 3.390 6.934 ( 0.000 -2.159 5.370) 5.788 7.132 ( 0.000 -0.289 -4.520) 4.529 7.173 ( 0.000 -3.906 -4.378) 5.868 7.719 ( 0.000 5.142 1.106) 5.260 7.799 ( 0.000 -2.548 -5.778) 6.315 8.084 ( 0.000 5.467 2.465) 5.997 8.180 ( 0.000 -3.078 2.239) 3.806 8.465 ( 0.000 8.358 -5.549) 10.033 8.578 ( 0.000 -1.344 -2.765) 3.074 8.878 ( 0.000 0.212 -3.542) 3.548 8.886 ( 0.000 0.108 -6.443) 6.444 9.226 ( 0.000 3.857 -11.484) 12.115 9.369 ( 0.000 -8.584 -9.047) 12.472 9.927 ( 0.000 2.657 -8.966) 9.351 9.980 ( 0.000 -1.248 -6.230) 6.354 10.345 ( 0.000 -1.146 -8.086) 8.167 10.347 ( 0.000 0.001 0.646) 0.646 10.818 ( 0.000 2.408 0.489) 2.457 10.868 ( 0.000 -2.393 3.378) 4.139 10.955 ( 0.000 0.874 0.779) 1.171 10.968 ( 0.000 0.398 -0.306) 0.502 11.639 ( 0.000 15.740 7.102) 17.268 12.004 ( 0.000 -17.408 6.785) 18.683 12.481 ( 0.000 10.056 4.908) 11.190 12.582 ( 0.000 1.333 -2.799) 3.100 13.838 ( 0.000 8.956 -0.605) 8.977 14.094 ( 0.000 -14.422 -7.328) 16.177 14.800 ( 0.000 1.933 -4.639) 5.025 14.818 ( 0.000 0.263 -7.654) 7.659 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.12 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -4.539 16.986 13.178) 21.972 2.902 ( 1.248 -10.831 5.981) 12.435 3.103 ( 7.473 12.279 17.469) 22.622 3.423 ( 5.398 -15.992 12.509) 21.008 4.198 ( 1.988 3.237 2.053) 4.318 4.279 ( -0.655 0.077 9.705) 9.727 4.511 ( 8.246 5.702 6.697) 12.057 4.570 ( -4.402 7.259 -1.533) 8.627 4.708 ( 4.521 0.337 7.853) 9.067 4.800 ( -1.667 -7.425 4.826) 9.011 4.936 ( -1.704 13.213 7.984) 15.532 5.262 ( 0.293 -11.069 -0.714) 11.096 5.591 ( 2.126 5.645 3.595) 7.022 5.775 ( -3.611 -2.103 10.381) 11.190 5.804 ( -6.373 -3.719 3.982) 8.384 5.935 ( 2.055 -17.713 3.996) 18.274 6.579 ( -3.635 4.736 -5.726) 8.272 6.693 ( -7.124 -5.041 -2.529) 9.086 6.869 ( 0.434 0.696 4.708) 4.778 6.908 ( -3.270 -4.059 -1.659) 5.470 7.140 ( -0.802 3.083 -2.734) 4.198 7.206 ( 5.479 -2.789 -2.335) 6.577 7.621 ( -7.092 4.926 -3.735) 9.408 7.704 ( -6.972 -2.582 -4.523) 8.703 8.176 ( -0.443 4.022 -3.004) 5.039 8.236 ( 4.884 -0.762 0.992) 5.042 8.429 ( 2.035 4.001 0.692) 4.541 8.496 ( -7.750 -1.236 -3.140) 8.452 8.881 ( 1.547 0.159 -4.706) 4.957 8.891 ( 2.144 -1.182 -2.440) 3.457 9.265 ( 2.577 5.149 -9.759) 11.331 9.400 ( 1.182 -6.815 -8.645) 11.071 9.990 ( 5.083 2.738 -7.282) 9.293 10.045 ( 6.847 -0.882 -6.013) 9.156 10.318 ( -1.673 1.273 -1.609) 2.647 10.370 ( 1.697 -3.155 -6.838) 7.720 10.739 ( -6.613 2.722 2.907) 7.719 10.789 ( -7.162 -1.990 4.871) 8.887 10.937 ( -2.140 1.867 -0.607) 2.905 10.974 ( -0.143 -1.439 -3.288) 3.592 11.721 ( 7.646 15.309 7.466) 18.670 12.074 ( 6.616 -16.659 6.788) 19.167 12.487 ( 0.377 10.590 5.410) 11.898 12.603 ( 1.888 0.576 -1.866) 2.716 13.864 ( 2.548 8.740 -1.572) 9.238 14.114 ( 2.021 -14.039 -7.789) 16.182 14.763 ( -3.906 1.024 -5.084) 6.493 14.766 ( -4.833 0.791 -7.679) 9.108 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.25 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 4.686 18.702 9.220) 21.372 2.943 ( 4.519 -15.775 2.806) 16.648 3.280 ( 8.685 13.535 14.944) 21.954 3.526 ( 3.891 -10.867 9.923) 15.222 4.193 ( -3.975 8.052 3.384) 9.596 4.261 ( -2.741 3.899 5.090) 6.973 4.462 ( -2.189 5.602 0.381) 6.026 4.631 ( -5.498 -8.992 3.259) 11.032 4.715 ( 5.779 2.976 4.211) 7.745 4.887 ( 3.825 -11.013 10.775) 15.875 4.938 ( 4.720 13.917 10.780) 18.225 5.236 ( -2.470 -13.058 4.261) 13.956 5.612 ( -1.665 3.623 2.810) 4.878 5.680 ( -4.959 -2.669 0.259) 5.637 5.779 ( 7.467 6.138 4.707) 10.751 6.012 ( 4.877 -14.672 4.093) 15.994 6.435 ( -11.389 1.586 -3.093) 11.907 6.503 ( -9.543 -3.620 -3.328) 10.735 6.834 ( -2.011 1.398 -0.296) 2.467 6.911 ( 1.759 -5.206 -0.808) 5.554 7.123 ( -1.069 10.240 -3.313) 10.816 7.295 ( 0.576 -5.573 -3.007) 6.359 7.503 ( -3.694 1.330 -2.615) 4.717 7.537 ( -10.418 -1.542 -6.765) 12.517 8.098 ( -1.855 6.097 -2.543) 6.862 8.210 ( -6.103 -4.158 -2.539) 7.810 8.456 ( 2.285 2.425 0.990) 3.476 8.517 ( 3.136 -3.137 0.898) 4.526 8.940 ( 5.563 2.515 -3.040) 6.821 8.997 ( 7.013 -2.501 -1.216) 7.544 9.294 ( 0.438 4.591 -7.506) 8.809 9.389 ( -1.828 -4.378 -7.098) 8.538 10.077 ( 3.380 5.722 -0.783) 6.691 10.210 ( 6.255 -6.261 -1.018) 8.909 10.303 ( 2.708 6.785 -5.470) 9.127 10.415 ( 1.549 -2.849 -8.154) 8.775 10.605 ( -5.288 -0.617 4.169) 6.762 10.619 ( -9.288 -1.636 6.066) 11.213 10.873 ( -4.252 3.123 -3.693) 6.440 10.946 ( -2.721 -3.672 -5.726) 7.327 11.909 ( 10.707 14.966 8.117) 20.112 12.238 ( 9.289 -14.649 6.843) 18.647 12.483 ( -1.174 11.791 6.634) 13.580 12.640 ( 1.307 -1.750 0.588) 2.262 13.939 ( 5.104 8.392 -3.995) 10.603 14.175 ( 4.092 -12.824 -8.717) 16.037 14.625 ( -8.719 2.246 -7.887) 11.970 14.667 ( -5.968 -1.537 -6.414) 8.895 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.38 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 14.685 16.589 4.339) 22.576 3.100 ( 11.051 -13.530 0.512) 17.477 3.355 ( -4.109 9.069 7.427) 12.421 3.528 ( -4.540 -7.039 5.680) 10.121 4.066 ( -3.675 17.841 4.781) 18.833 4.229 ( -0.495 9.269 10.735) 14.192 4.421 ( -6.020 -4.233 1.500) 7.511 4.502 ( -3.456 -4.655 5.031) 7.676 4.821 ( 4.347 3.614 7.231) 9.178 4.930 ( 1.594 -3.469 8.095) 8.950 5.035 ( 3.499 -9.418 8.358) 13.069 5.177 ( -3.960 -14.868 9.261) 17.958 5.634 ( 0.974 1.351 -4.520) 4.817 5.650 ( 7.220 0.508 -2.325) 7.603 5.939 ( -5.096 4.468 -2.212) 7.129 6.030 ( 2.983 -1.286 -1.366) 3.524 6.252 ( -4.153 3.545 1.137) 5.577 6.442 ( 8.266 -11.724 0.467) 14.353 6.813 ( -7.463 3.692 -1.002) 8.386 6.830 ( -6.365 1.816 -1.387) 6.763 7.107 ( -0.570 10.852 -2.509) 11.152 7.238 ( -6.430 -1.126 -3.035) 7.199 7.329 ( -4.082 -2.835 -4.054) 6.414 7.469 ( -2.811 -10.987 -2.585) 11.632 8.146 ( 5.755 4.266 -2.515) 7.592 8.170 ( 2.609 1.999 -1.597) 3.654 8.448 ( -3.339 -0.691 0.341) 3.426 8.499 ( -4.618 -4.945 -0.861) 6.821 9.086 ( 8.095 3.927 -2.386) 9.308 9.137 ( 6.436 -0.412 -1.931) 6.732 9.297 ( 0.012 1.450 -5.897) 6.072 9.344 ( -2.658 -3.356 -5.496) 6.966 10.133 ( 2.938 6.197 4.184) 8.034 10.238 ( 0.583 -2.463 6.312) 6.801 10.345 ( -6.962 3.983 4.922) 9.410 10.428 ( -6.954 -3.647 5.759) 9.738 10.466 ( 7.613 6.164 -9.031) 13.323 10.630 ( 5.793 -8.156 -6.858) 12.129 10.772 ( -5.984 3.613 -6.725) 9.700 10.870 ( -4.914 -5.351 -7.363) 10.344 12.122 ( 10.362 14.759 8.671) 20.010 12.408 ( 3.612 -1.517 7.106) 8.115 12.440 ( 0.505 2.729 7.525) 8.021 12.638 ( -1.809 -5.216 3.509) 6.542 14.065 ( 7.587 7.969 -6.526) 12.793 14.271 ( 5.441 -10.083 -8.981) 14.557 14.437 ( -9.737 3.527 -8.712) 13.533 14.538 ( -6.874 -5.024 -8.073) 11.733 ======================= Grid point 220 (80/120) ======================= q-point: (-0.50 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -17.389 12.106 2.603) 21.347 3.108 ( 17.389 12.106 2.603) 21.347 3.348 ( -12.369 -9.736 0.723) 15.758 3.348 ( 12.369 -9.736 0.723) 15.758 4.132 ( -7.835 17.398 10.132) 21.604 4.132 ( 7.835 17.398 10.132) 21.604 4.414 ( -4.912 -6.264 5.499) 9.675 4.414 ( 4.912 -6.264 5.499) 9.675 4.909 ( -3.770 0.656 6.683) 7.701 4.909 ( 3.770 0.656 6.683) 7.701 5.099 ( -3.361 -15.673 9.791) 18.783 5.099 ( 3.361 -15.673 9.791) 18.783 5.729 ( -7.904 6.316 -5.749) 11.637 5.729 ( 7.904 6.316 -5.749) 11.637 5.878 ( -11.814 -7.147 -6.153) 15.117 5.878 ( 11.814 -7.147 -6.153) 15.117 6.489 ( -18.645 9.949 3.131) 21.364 6.489 ( 18.645 9.949 3.131) 21.364 6.685 ( -12.469 -8.041 0.874) 14.862 6.685 ( 12.469 -8.041 0.874) 14.862 7.117 ( -3.226 11.894 -3.255) 12.746 7.117 ( 3.226 11.894 -3.255) 12.746 7.382 ( -5.239 -13.131 -2.875) 14.427 7.382 ( 5.239 -13.131 -2.875) 14.427 8.241 ( -0.716 7.504 -2.531) 7.952 8.241 ( 0.716 7.504 -2.531) 7.952 8.394 ( -2.286 -6.793 -0.230) 7.171 8.394 ( 2.286 -6.793 -0.230) 7.171 9.204 ( -1.738 4.649 -3.231) 5.922 9.204 ( 1.738 4.649 -3.231) 5.922 9.296 ( -0.879 -3.863 -4.582) 6.057 9.296 ( 0.879 -3.863 -4.582) 6.057 10.213 ( -5.306 5.428 6.646) 10.089 10.213 ( 5.306 5.428 6.646) 10.089 10.292 ( -4.805 -2.013 7.888) 9.453 10.292 ( 4.805 -2.013 7.888) 9.453 10.636 ( -7.867 3.643 -8.978) 12.481 10.636 ( 7.867 3.643 -8.978) 12.481 10.757 ( -6.386 -6.953 -8.325) 12.587 10.757 ( 6.386 -6.953 -8.325) 12.587 12.304 ( -7.875 14.298 8.698) 18.496 12.304 ( 7.875 14.298 8.698) 18.496 12.564 ( -5.623 -8.873 5.706) 11.954 12.564 ( 5.623 -8.873 5.706) 11.954 14.233 ( -9.173 6.921 -7.629) 13.793 14.233 ( 9.173 6.921 -7.629) 13.793 14.404 ( -6.396 -8.662 -9.660) 14.465 14.404 ( 6.396 -8.662 -9.660) 14.465 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 0.000 0.000 28.353) 28.353 2.749 ( 0.000 0.000 27.353) 27.353 3.398 ( 0.000 0.000 12.300) 12.300 3.758 ( 0.000 0.000 -1.229) 1.229 3.953 ( 0.000 0.000 -2.278) 2.278 4.226 ( 0.000 0.000 -4.743) 4.743 4.321 ( 0.000 0.000 25.588) 25.588 4.384 ( 0.000 0.000 -13.123) 13.123 4.460 ( 0.000 0.000 -17.645) 17.645 5.101 ( 0.000 0.000 0.333) 0.333 5.486 ( 0.000 0.000 9.765) 9.765 5.658 ( 0.000 0.000 -1.234) 1.234 5.681 ( 0.000 0.000 -1.287) 1.287 6.039 ( 0.000 0.000 14.228) 14.228 6.051 ( 0.000 0.000 11.602) 11.602 6.461 ( 0.000 0.000 -6.609) 6.609 6.507 ( 0.000 0.000 4.179) 4.179 6.846 ( 0.000 0.000 -8.437) 8.437 6.958 ( 0.000 0.000 1.871) 1.871 7.143 ( 0.000 0.000 -24.294) 24.294 7.295 ( 0.000 0.000 -10.004) 10.004 7.407 ( 0.000 0.000 9.819) 9.819 7.590 ( 0.000 0.000 -1.622) 1.622 7.838 ( 0.000 0.000 11.321) 11.321 7.914 ( 0.000 0.000 -0.488) 0.488 7.927 ( 0.000 0.000 5.869) 5.869 8.145 ( 0.000 0.000 4.945) 4.945 8.371 ( 0.000 0.000 -5.507) 5.507 8.593 ( 0.000 0.000 -2.836) 2.836 8.844 ( 0.000 0.000 -3.879) 3.879 9.340 ( 0.000 0.000 -6.504) 6.504 9.488 ( 0.000 0.000 -9.306) 9.306 9.726 ( 0.000 0.000 -2.513) 2.513 9.821 ( 0.000 0.000 -4.661) 4.661 10.248 ( 0.000 0.000 4.298) 4.298 10.547 ( 0.000 0.000 -8.692) 8.692 10.693 ( 0.000 0.000 -6.880) 6.880 10.703 ( 0.000 0.000 -3.998) 3.998 10.764 ( 0.000 0.000 1.511) 1.511 10.926 ( 0.000 0.000 -1.612) 1.612 11.581 ( 0.000 0.000 7.865) 7.865 11.924 ( 0.000 0.000 7.940) 7.940 12.105 ( 0.000 0.000 -5.402) 5.402 12.260 ( 0.000 0.000 -2.056) 2.056 13.847 ( 0.000 0.000 7.365) 7.365 14.425 ( 0.000 0.000 -10.610) 10.610 14.754 ( 0.000 0.000 1.363) 1.363 14.771 ( 0.000 0.000 0.690) 0.690 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -15.980 0.000 27.492) 31.799 2.757 ( 6.626 0.000 26.948) 27.751 3.509 ( 0.796 0.000 1.337) 1.556 3.760 ( 0.037 0.000 -0.544) 0.545 3.995 ( 9.761 0.000 3.006) 10.214 4.182 ( -3.519 0.000 -4.146) 5.438 4.253 ( -11.694 0.000 2.821) 12.030 4.485 ( 1.369 0.000 -15.263) 15.324 4.534 ( 16.932 0.000 12.550) 21.076 5.155 ( 5.025 0.000 0.893) 5.104 5.473 ( -0.831 0.000 12.234) 12.263 5.567 ( -4.830 0.000 0.086) 4.831 5.754 ( 3.750 0.000 -1.587) 4.072 5.963 ( -6.733 0.000 11.940) 13.708 6.022 ( -1.954 0.000 6.044) 6.352 6.414 ( -2.980 0.000 -5.550) 6.299 6.572 ( 3.233 0.000 2.768) 4.256 6.798 ( -3.752 0.000 -8.473) 9.267 6.898 ( -8.614 0.000 -1.973) 8.837 7.083 ( -6.824 0.000 -17.976) 19.227 7.237 ( -6.669 0.000 -4.635) 8.121 7.396 ( 0.024 0.000 6.680) 6.680 7.450 ( -14.070 0.000 16.033) 21.331 7.663 ( -1.301 0.000 -8.572) 8.670 7.875 ( -0.133 0.000 -4.473) 4.475 7.999 ( -3.154 0.000 1.900) 3.682 8.297 ( 7.742 0.000 3.482) 8.489 8.449 ( 10.454 0.000 -4.157) 11.250 8.631 ( 7.266 0.000 3.305) 7.982 8.950 ( 4.283 0.000 -1.854) 4.667 9.338 ( -0.343 0.000 -5.835) 5.845 9.495 ( 0.981 0.000 -8.224) 8.282 9.694 ( -2.575 0.000 -1.651) 3.059 9.837 ( 0.839 0.000 -4.203) 4.286 10.286 ( 3.783 0.000 3.403) 5.088 10.571 ( -5.070 0.000 -3.372) 6.089 10.608 ( 5.572 0.000 -9.987) 11.436 10.737 ( -2.514 0.000 2.176) 3.325 10.813 ( 4.817 0.000 -5.601) 7.388 10.903 ( -2.279 0.000 -0.804) 2.417 11.627 ( 4.375 0.000 6.668) 7.975 11.931 ( 0.763 0.000 7.026) 7.068 12.113 ( 0.663 0.000 -5.267) 5.308 12.246 ( -1.452 0.000 -2.040) 2.504 13.896 ( 4.634 0.000 5.945) 7.538 14.429 ( 0.514 0.000 -10.506) 10.518 14.703 ( -4.620 0.000 1.114) 4.753 14.757 ( -1.796 0.000 0.373) 1.834 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -3.678 0.000 23.955) 24.235 2.938 ( 11.252 0.000 23.068) 25.666 3.451 ( -2.827 0.000 -8.231) 8.703 3.741 ( -2.633 0.000 1.054) 2.836 3.894 ( -21.246 0.000 3.837) 21.590 4.124 ( -1.566 0.000 -0.980) 1.847 4.205 ( 2.662 0.000 -1.364) 2.991 4.474 ( -3.008 0.000 -7.891) 8.445 4.946 ( 23.865 0.000 17.674) 29.697 5.283 ( 7.860 0.000 3.818) 8.738 5.487 ( 3.272 0.000 11.820) 12.265 5.514 ( 0.678 0.000 2.594) 2.681 5.815 ( -4.774 0.000 15.776) 16.482 5.839 ( 2.691 0.000 -8.133) 8.567 6.004 ( 0.298 0.000 -1.730) 1.755 6.335 ( -5.314 0.000 -6.683) 8.538 6.545 ( -7.941 0.000 -7.767) 11.108 6.641 ( -15.292 0.000 5.749) 16.336 6.742 ( -0.602 0.000 2.183) 2.265 6.897 ( -18.693 0.000 -4.672) 19.268 6.952 ( -4.050 0.000 -5.132) 6.537 7.351 ( -18.394 0.000 -6.996) 19.679 7.422 ( 2.643 0.000 -5.037) 5.688 7.577 ( 9.729 0.000 9.437) 13.554 7.879 ( -1.427 0.000 -11.190) 11.280 8.054 ( 6.327 0.000 -0.744) 6.371 8.448 ( 10.035 0.000 3.622) 10.669 8.722 ( 14.030 0.000 -3.134) 14.376 8.746 ( 2.320 0.000 5.325) 5.808 8.932 ( -5.356 0.000 -0.045) 5.356 9.339 ( 0.854 0.000 -4.062) 4.150 9.510 ( -0.272 0.000 -5.169) 5.176 9.643 ( -2.359 0.000 0.510) 2.413 9.833 ( -1.484 0.000 -3.118) 3.453 10.384 ( 5.481 0.000 2.160) 5.891 10.519 ( -0.063 0.000 -1.599) 1.601 10.678 ( -3.007 0.000 3.850) 4.885 10.741 ( 6.984 0.000 -8.999) 11.391 10.838 ( -4.232 0.000 1.328) 4.436 10.890 ( 3.022 0.000 -6.664) 7.317 11.743 ( 7.169 0.000 3.968) 8.194 11.957 ( 1.861 0.000 4.700) 5.055 12.123 ( 0.153 0.000 -4.830) 4.833 12.205 ( -2.695 0.000 -1.893) 3.293 14.008 ( 6.234 0.000 3.410) 7.105 14.448 ( 1.410 0.000 -10.423) 10.518 14.583 ( -7.293 0.000 1.545) 7.455 14.703 ( -3.433 0.000 -1.374) 3.698 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 13.940 0.000 15.417) 20.785 3.182 ( 13.030 0.000 17.360) 21.706 3.314 ( -21.829 0.000 -5.633) 22.544 3.574 ( 1.365 0.000 0.588) 1.487 3.636 ( -8.124 0.000 4.442) 9.259 4.080 ( -13.465 0.000 -7.480) 15.403 4.141 ( 3.216 0.000 2.801) 4.264 4.372 ( -6.685 0.000 0.692) 6.721 5.332 ( 11.468 0.000 14.100) 18.175 5.490 ( 9.477 0.000 12.860) 15.974 5.618 ( 9.774 0.000 5.635) 11.282 5.636 ( 14.089 0.000 5.047) 14.966 5.721 ( -1.640 0.000 9.878) 10.014 5.928 ( 3.292 0.000 -5.095) 6.066 6.013 ( -1.382 0.000 -2.780) 3.105 6.205 ( -6.668 0.000 -8.682) 10.947 6.335 ( -9.900 0.000 -9.653) 13.827 6.395 ( -7.449 0.000 7.403) 10.502 6.563 ( -15.045 0.000 -2.678) 15.281 6.773 ( 2.953 0.000 4.576) 5.446 6.901 ( -2.457 0.000 -0.209) 2.465 6.928 ( -21.403 0.000 -8.055) 22.868 7.508 ( 6.103 0.000 -12.085) 13.538 7.797 ( -6.421 0.000 -14.588) 15.938 7.838 ( 13.914 0.000 7.151) 15.644 8.148 ( 1.716 0.000 -0.306) 1.743 8.688 ( 12.998 0.000 2.749) 13.285 8.728 ( -2.836 0.000 4.497) 5.316 8.800 ( -6.458 0.000 0.789) 6.506 8.929 ( 5.436 0.000 -3.712) 6.583 9.371 ( 2.242 0.000 -2.364) 3.258 9.479 ( -2.563 0.000 -2.732) 3.746 9.617 ( 0.428 0.000 2.204) 2.245 9.774 ( -4.361 0.000 -1.525) 4.620 10.482 ( 4.166 0.000 1.478) 4.421 10.541 ( 1.259 0.000 0.962) 1.585 10.639 ( -0.543 0.000 5.437) 5.464 10.745 ( -4.815 0.000 3.866) 6.175 10.859 ( 4.716 0.000 -7.665) 9.000 10.931 ( 1.028 0.000 -7.766) 7.834 11.895 ( 7.803 0.000 0.606) 7.826 12.005 ( 2.990 0.000 2.005) 3.600 12.107 ( -2.142 0.000 -3.942) 4.487 12.143 ( -3.488 0.000 -1.358) 3.743 14.133 ( 6.418 0.000 1.800) 6.665 14.420 ( -7.762 0.000 -1.216) 7.857 14.495 ( 2.249 0.000 -6.382) 6.767 14.629 ( -3.891 0.000 -3.979) 5.566 ======================= Grid point 256 (85/120) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -25.327 0.000 6.494) 26.146 2.803 ( 25.327 0.000 6.494) 26.146 3.433 ( -11.951 0.000 10.598) 15.974 3.433 ( 11.951 0.000 10.598) 15.974 3.776 ( -15.011 0.000 -8.237) 17.123 3.776 ( 15.011 0.000 -8.237) 17.123 4.238 ( -6.290 0.000 4.009) 7.459 4.238 ( 6.290 0.000 4.009) 7.459 5.489 ( -5.636 0.000 16.717) 17.641 5.489 ( 5.636 0.000 16.717) 17.641 5.783 ( -4.907 0.000 0.270) 4.914 5.783 ( 4.907 0.000 0.270) 4.914 5.849 ( -12.572 0.000 0.820) 12.599 5.849 ( 12.572 0.000 0.820) 12.599 6.131 ( -19.403 0.000 6.096) 20.338 6.131 ( 19.403 0.000 6.096) 20.338 6.195 ( -4.523 0.000 -9.894) 10.879 6.195 ( 4.523 0.000 -9.894) 10.879 6.563 ( -13.854 0.000 -4.671) 14.621 6.563 ( 13.854 0.000 -4.671) 14.621 6.840 ( -3.548 0.000 2.433) 4.302 6.840 ( 3.548 0.000 2.433) 4.302 7.650 ( -7.863 0.000 -14.775) 16.737 7.650 ( 7.863 0.000 -14.775) 16.737 8.076 ( -8.971 0.000 2.715) 9.373 8.076 ( 8.971 0.000 2.715) 9.373 8.710 ( -2.157 0.000 2.480) 3.286 8.710 ( 2.157 0.000 2.480) 3.286 8.904 ( -7.427 0.000 -0.848) 7.475 8.904 ( 7.427 0.000 -0.848) 7.475 9.423 ( -2.885 0.000 -1.862) 3.434 9.423 ( 2.885 0.000 -1.862) 3.434 9.675 ( -4.960 0.000 0.747) 5.016 9.675 ( 4.960 0.000 0.747) 5.016 10.540 ( -1.575 0.000 1.630) 2.267 10.540 ( 1.575 0.000 1.630) 2.267 10.664 ( -3.015 0.000 5.543) 6.310 10.664 ( 3.015 0.000 5.543) 6.310 10.924 ( -1.829 0.000 -7.511) 7.731 10.924 ( 1.829 0.000 -7.511) 7.731 12.031 ( -5.547 0.000 -2.238) 5.982 12.031 ( 5.547 0.000 -2.238) 5.982 12.071 ( -3.612 0.000 -0.116) 3.614 12.071 ( 3.612 0.000 -0.116) 3.614 14.267 ( -7.322 0.000 0.946) 7.383 14.267 ( 7.322 0.000 0.946) 7.383 14.555 ( -3.529 0.000 -6.349) 7.264 14.555 ( 3.529 0.000 -6.349) 7.264 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 0.000 5.599 23.962) 24.607 2.773 ( 0.000 2.201 24.658) 24.756 3.463 ( 0.000 3.223 8.979) 9.540 3.790 ( 0.000 2.042 -2.166) 2.977 4.005 ( 0.000 5.985 0.182) 5.988 4.113 ( 0.000 -1.110 9.968) 10.030 4.358 ( 0.000 -8.541 -10.797) 13.766 4.408 ( 0.000 4.136 6.490) 7.696 4.542 ( 0.000 11.300 -5.612) 12.617 5.094 ( 0.000 -2.403 -0.699) 2.503 5.347 ( 0.000 -5.697 6.639) 8.748 5.495 ( 0.000 -14.635 6.922) 16.189 5.832 ( 0.000 9.329 -0.053) 9.329 5.967 ( 0.000 -4.934 10.036) 11.183 6.075 ( 0.000 -1.097 7.708) 7.786 6.464 ( 0.000 -2.687 2.119) 3.422 6.545 ( 0.000 6.874 -5.980) 9.111 6.714 ( 0.000 -11.806 -6.459) 13.458 6.969 ( 0.000 -13.080 -21.459) 25.131 6.990 ( 0.000 0.640 -2.326) 2.413 7.287 ( 0.000 0.331 -3.573) 3.589 7.334 ( 0.000 -6.244 8.372) 10.444 7.719 ( 0.000 9.250 2.212) 9.510 7.764 ( 0.000 -6.421 -2.559) 6.912 7.875 ( 0.000 3.221 5.612) 6.470 8.109 ( 0.000 8.906 4.393) 9.931 8.150 ( 0.000 1.057 7.966) 8.036 8.404 ( 0.000 3.238 -3.654) 4.882 8.636 ( 0.000 3.564 -4.852) 6.020 8.837 ( 0.000 -0.433 -3.826) 3.850 9.224 ( 0.000 -9.155 -6.363) 11.149 9.486 ( 0.000 -2.090 -10.848) 11.047 9.745 ( 0.000 0.772 -3.386) 3.473 9.778 ( 0.000 -0.833 -3.025) 3.138 10.299 ( 0.000 3.663 2.552) 4.464 10.417 ( 0.000 -10.065 -8.684) 13.294 10.672 ( 0.000 -0.195 -2.983) 2.990 10.751 ( 0.000 4.813 -4.395) 6.518 10.860 ( 0.000 6.419 2.179) 6.778 11.012 ( 0.000 4.927 -0.797) 4.991 11.523 ( 0.000 -2.700 7.644) 8.107 12.086 ( 0.000 2.146 -7.654) 7.949 12.088 ( 0.000 12.623 7.939) 14.912 12.380 ( 0.000 6.335 -0.551) 6.359 13.824 ( 0.000 -1.698 6.011) 6.246 14.358 ( 0.000 -6.330 -10.944) 12.643 14.745 ( 0.000 -0.755 0.868) 1.151 14.746 ( 0.000 -2.133 -0.131) 2.137 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.12 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -13.106 3.150 24.478) 27.944 2.884 ( 6.989 9.954 23.906) 26.822 3.430 ( -4.630 -5.770 0.229) 7.401 3.854 ( 3.438 7.132 0.814) 7.959 4.020 ( 2.884 1.571 1.580) 3.645 4.208 ( 0.303 3.205 -3.085) 4.458 4.294 ( -2.597 0.764 10.102) 10.458 4.395 ( 1.268 -2.075 -9.835) 10.131 4.619 ( 9.040 5.973 6.618) 12.696 5.147 ( 4.744 -2.387 0.911) 5.388 5.360 ( 2.296 -4.341 6.526) 8.167 5.547 ( 4.404 -14.177 5.085) 15.692 5.714 ( -9.705 6.684 3.860) 12.401 5.918 ( -4.545 -3.439 9.213) 10.834 6.072 ( -0.970 -0.230 3.191) 3.343 6.429 ( -1.925 -0.118 -3.095) 3.647 6.567 ( -1.767 0.649 -3.117) 3.641 6.692 ( -0.639 -8.130 -7.459) 11.051 6.868 ( -7.187 -4.618 -6.450) 10.704 6.956 ( -6.937 -8.076 -12.254) 16.233 7.276 ( -4.883 2.628 -3.623) 6.624 7.400 ( 3.418 -0.942 9.422) 10.067 7.424 ( -12.143 -2.758 10.052) 16.003 7.728 ( -12.380 -2.731 -3.229) 13.082 7.759 ( 1.978 5.942 -5.052) 8.046 8.181 ( -3.573 8.685 -3.728) 10.105 8.357 ( 11.234 4.581 5.009) 13.126 8.403 ( 8.217 -1.578 2.603) 8.762 8.679 ( 7.396 3.362 -0.969) 8.182 8.924 ( 2.969 -2.057 -1.654) 3.973 9.245 ( 1.795 -8.038 -5.527) 9.918 9.446 ( -3.177 -3.352 -9.532) 10.592 9.758 ( 1.179 4.111 -2.515) 4.961 9.825 ( 3.999 0.147 -3.878) 5.572 10.316 ( 1.892 2.250 2.319) 3.744 10.462 ( 3.834 -10.214 -9.165) 14.248 10.602 ( -3.783 2.184 -1.498) 4.618 10.763 ( -1.422 2.939 -1.798) 3.727 10.867 ( 0.718 4.011 -0.092) 4.076 10.971 ( -3.190 3.246 -0.320) 4.562 11.593 ( 6.463 -1.110 6.253) 9.061 12.080 ( -0.012 10.449 3.861) 11.140 12.110 ( 1.624 5.375 -3.619) 6.680 12.385 ( 0.346 7.662 -0.907) 7.723 13.864 ( 3.828 -2.555 4.860) 6.694 14.364 ( 0.648 -6.213 -10.890) 12.555 14.683 ( -5.062 -1.809 0.300) 5.384 14.737 ( -1.935 -1.619 -0.026) 2.523 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.25 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -2.756 5.759 21.480) 22.409 3.057 ( 10.134 10.499 21.086) 25.643 3.344 ( -2.265 -7.822 -6.934) 10.695 3.840 ( -6.439 7.690 0.032) 10.030 3.941 ( -17.746 4.298 3.895) 18.670 4.054 ( 0.806 -3.681 3.722) 5.297 4.337 ( -0.942 8.400 -4.135) 9.410 4.449 ( 1.342 -1.802 -7.552) 7.879 4.935 ( 20.783 -0.003 18.033) 27.516 5.264 ( 7.211 -1.878 6.122) 9.644 5.456 ( 5.697 -2.520 2.648) 6.769 5.529 ( -2.540 -3.133 7.904) 8.874 5.668 ( 4.681 -6.743 5.154) 9.693 5.819 ( -4.033 -1.105 3.979) 5.773 6.038 ( -1.905 -2.501 -0.284) 3.157 6.392 ( -3.010 -1.342 -6.139) 6.968 6.426 ( -12.394 -2.069 -5.139) 13.575 6.615 ( -10.297 -4.302 -3.693) 11.755 6.705 ( -3.886 -1.607 2.241) 4.765 6.861 ( -1.365 -5.367 -3.770) 6.700 6.952 ( -17.701 3.063 -4.526) 18.526 7.350 ( -12.257 0.312 -2.672) 12.548 7.462 ( -2.667 -1.759 -5.564) 6.416 7.575 ( 10.021 2.065 5.989) 11.856 7.849 ( 5.284 -0.656 -1.366) 5.497 8.053 ( -5.627 0.740 -8.628) 10.327 8.549 ( 10.434 6.376 5.046) 13.229 8.654 ( 10.046 -2.268 4.541) 11.256 8.818 ( 5.882 3.135 -1.734) 6.888 8.902 ( -4.056 -1.820 -0.262) 4.453 9.280 ( 1.646 -6.025 -3.095) 6.970 9.391 ( -2.235 -4.807 -6.858) 8.668 9.783 ( 1.168 7.836 -0.438) 7.935 9.895 ( 2.204 5.084 -3.243) 6.420 10.368 ( 2.945 -1.574 1.191) 3.545 10.501 ( 0.162 -2.946 -2.365) 3.781 10.613 ( 3.926 -5.263 -4.421) 7.916 10.704 ( -3.382 1.444 0.008) 3.678 10.841 ( -3.001 -0.057 1.782) 3.491 10.939 ( -0.155 1.394 -3.968) 4.208 11.748 ( 8.591 0.559 4.468) 9.699 12.081 ( -0.176 11.935 6.171) 13.437 12.152 ( 2.676 6.593 -6.031) 9.327 12.387 ( -0.315 10.611 -1.865) 10.778 13.960 ( 5.487 -4.174 2.680) 7.396 14.387 ( 1.695 -5.818 -10.876) 12.450 14.552 ( -7.897 -2.670 0.836) 8.378 14.678 ( -3.818 -2.231 -1.644) 4.717 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.38 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 13.334 5.840 13.909) 20.133 3.234 ( 1.211 3.987 12.801) 13.462 3.313 ( -4.238 -1.336 -6.902) 8.209 3.547 ( -7.431 3.415 4.195) 9.191 3.749 ( -6.004 5.806 5.159) 9.817 4.045 ( -5.072 0.949 1.609) 5.405 4.258 ( -3.257 7.417 -3.952) 9.013 4.404 ( -5.101 2.727 -0.501) 5.806 5.265 ( 10.913 -6.441 14.885) 19.548 5.420 ( 7.312 -2.479 9.277) 12.070 5.578 ( 6.004 -9.234 9.817) 14.754 5.637 ( 7.373 -0.383 7.436) 10.478 5.710 ( 6.281 -0.769 -1.427) 6.487 5.882 ( 9.449 -0.691 -0.364) 9.482 5.989 ( -5.863 -3.929 -0.970) 7.125 6.116 ( -10.912 -10.007 -0.855) 14.831 6.304 ( -9.324 -1.059 -8.652) 12.764 6.470 ( -3.093 5.102 -1.706) 6.205 6.597 ( -12.613 3.357 -2.087) 13.218 6.695 ( -3.533 -2.107 0.531) 4.147 6.849 ( -0.814 -2.656 1.106) 2.990 7.017 ( -15.352 3.016 -7.886) 17.520 7.525 ( 5.243 0.159 -8.597) 10.071 7.742 ( 1.685 -3.353 -4.957) 6.218 7.894 ( 3.529 4.401 -1.517) 5.842 8.040 ( 2.605 -7.401 -0.460) 7.860 8.676 ( -0.447 -3.338 4.978) 6.010 8.727 ( -2.398 -1.686 2.817) 4.065 8.849 ( 5.267 6.497 -0.416) 8.374 8.964 ( 5.727 2.936 -2.633) 6.953 9.310 ( 1.274 -5.975 -1.650) 6.328 9.355 ( -1.446 -3.598 -4.192) 5.710 9.807 ( 1.529 11.241 1.460) 11.438 9.899 ( -1.571 9.891 -0.939) 10.059 10.420 ( 2.331 -4.902 0.672) 5.470 10.504 ( -0.803 -2.571 1.566) 3.116 10.626 ( -0.525 -3.001 1.830) 3.554 10.681 ( -1.099 -3.185 -0.960) 3.503 10.827 ( 2.397 -2.975 -2.735) 4.699 10.928 ( -1.269 -1.259 -5.283) 5.577 11.908 ( 7.074 1.308 3.818) 8.144 12.066 ( -1.475 9.017 5.551) 10.691 12.218 ( 4.034 11.819 -5.677) 13.718 12.365 ( -2.106 13.402 -3.243) 13.949 14.075 ( 6.261 -5.108 1.127) 8.159 14.374 ( -7.949 -4.134 -2.991) 9.446 14.444 ( 2.206 -4.787 -5.642) 7.721 14.595 ( -4.378 -3.140 -4.135) 6.791 ======================= Grid point 265 (90/120) ======================= q-point: (-0.50 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -23.685 3.874 5.908) 24.716 2.844 ( 23.685 3.874 5.908) 24.716 3.452 ( -8.798 1.250 5.207) 10.300 3.452 ( 8.798 1.250 5.207) 10.300 3.825 ( -12.771 5.168 -1.473) 13.855 3.825 ( 12.771 5.168 -1.473) 13.855 4.296 ( -4.993 5.122 2.637) 7.624 4.296 ( 4.993 5.122 2.637) 7.624 5.431 ( -6.425 -6.065 15.244) 17.619 5.431 ( 6.425 -6.065 15.244) 17.619 5.681 ( -10.772 -6.092 0.510) 12.385 5.681 ( 10.772 -6.092 0.510) 12.385 5.837 ( -5.356 -3.201 2.316) 6.655 5.837 ( 5.356 -3.201 2.316) 6.655 6.101 ( -8.091 -8.086 -5.527) 12.705 6.101 ( 8.091 -8.086 -5.527) 12.705 6.209 ( -18.165 4.949 1.993) 18.933 6.209 ( 18.165 4.949 1.993) 18.933 6.594 ( -7.431 5.139 -4.419) 10.058 6.594 ( 7.431 5.139 -4.419) 10.058 6.847 ( -2.292 -0.703 -0.155) 2.402 6.847 ( 2.292 -0.703 -0.155) 2.402 7.649 ( -6.851 -0.859 -12.056) 13.893 7.649 ( 6.851 -0.859 -12.056) 13.893 8.025 ( -5.167 -3.199 1.852) 6.353 8.025 ( 5.167 -3.199 1.852) 6.353 8.663 ( -1.557 -3.532 3.022) 4.902 8.663 ( 1.557 -3.532 3.022) 4.902 8.980 ( -4.310 5.346 -1.006) 6.940 8.980 ( 4.310 5.346 -1.006) 6.940 9.332 ( -1.084 -4.739 -2.429) 5.434 9.332 ( 1.084 -4.739 -2.429) 5.434 9.851 ( -2.766 12.467 1.193) 12.826 9.851 ( 2.766 12.467 1.193) 12.826 10.465 ( -2.363 -5.225 1.869) 6.031 10.465 ( 2.363 -5.225 1.869) 6.031 10.646 ( -1.852 -2.682 1.655) 3.655 10.646 ( 1.852 -2.682 1.655) 3.655 10.887 ( -2.836 -3.288 -5.293) 6.846 10.887 ( 2.836 -3.288 -5.293) 6.846 12.016 ( -3.828 4.288 4.400) 7.238 12.016 ( 3.828 4.288 4.400) 7.238 12.302 ( -4.062 14.564 -4.629) 15.812 12.302 ( 4.062 14.564 -4.629) 15.812 14.212 ( -7.709 -4.887 0.154) 9.129 14.212 ( 7.709 -4.887 0.154) 9.129 14.511 ( -3.998 -4.122 -6.444) 8.632 14.511 ( 3.998 -4.122 -6.444) 8.632 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 0.000 3.597 17.589) 17.953 2.911 ( 0.000 8.933 14.698) 17.200 3.430 ( 0.000 -4.967 11.543) 12.566 3.810 ( 0.000 -1.537 4.340) 4.605 4.139 ( 0.000 -1.932 -4.398) 4.803 4.252 ( 0.000 8.973 2.965) 9.450 4.265 ( 0.000 12.474 3.124) 12.860 4.528 ( 0.000 6.219 5.545) 8.331 4.738 ( 0.000 6.761 -0.448) 6.776 4.984 ( 0.000 -6.308 1.494) 6.482 5.193 ( 0.000 -11.167 12.362) 16.659 5.298 ( 0.000 -0.800 2.984) 3.089 5.814 ( 0.000 -9.491 11.713) 15.076 5.943 ( 0.000 0.664 -0.610) 0.901 6.026 ( 0.000 -2.256 1.659) 2.800 6.351 ( 0.000 -15.902 -2.418) 16.085 6.488 ( 0.000 -0.950 -1.307) 1.616 6.681 ( 0.000 -6.345 -21.475) 22.392 6.711 ( 0.000 1.590 -3.203) 3.576 6.935 ( 0.000 -4.580 -10.443) 11.403 7.201 ( 0.000 -5.304 5.815) 7.871 7.299 ( 0.000 -1.266 6.713) 6.831 7.686 ( 0.000 0.111 -4.380) 4.381 7.865 ( 0.000 1.990 15.442) 15.570 7.983 ( 0.000 8.410 -4.913) 9.739 8.217 ( 0.000 5.516 5.064) 7.488 8.241 ( 0.000 3.071 2.737) 4.114 8.499 ( 0.000 4.354 -1.108) 4.493 8.714 ( 0.000 3.315 -6.177) 7.010 8.849 ( 0.000 2.600 -2.911) 3.903 9.023 ( 0.000 -9.035 -7.287) 11.608 9.369 ( 0.000 -7.778 -9.230) 12.071 9.750 ( 0.000 0.183 -4.156) 4.160 9.840 ( 0.000 4.410 -4.332) 6.182 10.215 ( 0.000 -7.405 -7.715) 10.694 10.346 ( 0.000 0.072 -2.304) 2.305 10.715 ( 0.000 3.978 -0.976) 4.096 10.844 ( 0.000 3.486 -2.320) 4.187 10.983 ( 0.000 4.212 3.602) 5.542 11.060 ( 0.000 -0.370 2.596) 2.622 11.554 ( 0.000 6.948 8.485) 10.966 12.224 ( 0.000 9.230 -10.608) 14.061 12.363 ( 0.000 12.166 6.103) 13.611 12.412 ( 0.000 -3.720 4.223) 5.628 13.803 ( 0.000 0.121 3.017) 3.020 14.173 ( 0.000 -10.696 -9.928) 14.593 14.700 ( 0.000 -1.771 -2.553) 3.107 14.728 ( 0.000 -0.911 -1.402) 1.672 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.12 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -9.865 8.003 18.139) 22.145 3.061 ( 7.757 3.783 9.715) 12.994 3.354 ( -4.800 0.895 11.853) 12.819 3.890 ( 5.205 -5.647 7.469) 10.713 4.104 ( -1.943 3.988 -3.423) 5.603 4.240 ( -3.445 4.822 -0.236) 5.931 4.339 ( 3.112 7.158 -2.910) 8.330 4.522 ( 1.852 8.545 4.783) 9.966 4.775 ( 5.309 8.999 6.838) 12.487 5.009 ( 2.897 -11.193 3.588) 12.106 5.232 ( 3.854 -8.185 10.977) 14.225 5.362 ( 5.637 -1.405 2.431) 6.298 5.780 ( -4.446 -5.910 9.837) 12.307 5.829 ( -8.301 -0.703 1.728) 8.508 5.988 ( -4.168 -4.468 1.968) 6.420 6.359 ( 0.920 -15.493 -4.049) 16.039 6.420 ( -5.608 -2.572 -5.120) 8.018 6.659 ( -3.269 -6.239 -18.392) 19.694 6.762 ( 3.498 4.508 -0.928) 5.781 6.857 ( -6.341 -1.687 -5.926) 8.842 7.240 ( 2.200 -6.008 4.602) 7.881 7.320 ( -7.211 -4.658 4.066) 9.499 7.458 ( -4.242 5.331 1.949) 7.086 7.718 ( -14.247 -0.085 0.805) 14.270 7.936 ( -3.198 9.922 -3.503) 10.998 8.296 ( -5.439 2.914 -6.465) 8.937 8.378 ( 12.553 0.878 9.876) 15.996 8.482 ( 5.187 3.329 4.599) 7.690 8.754 ( 5.458 3.048 -4.398) 7.643 8.906 ( 2.762 1.859 -0.261) 3.340 9.065 ( 3.416 -7.816 -6.972) 11.016 9.354 ( -1.423 -5.287 -8.751) 10.323 9.811 ( 5.354 0.855 -4.525) 7.062 9.888 ( 4.753 5.103 -3.901) 7.990 10.256 ( 3.959 -8.056 -7.661) 11.801 10.346 ( 0.082 -0.259 -1.380) 1.407 10.668 ( -3.868 4.197 -0.185) 5.711 10.826 ( -2.770 2.064 -2.583) 4.313 10.948 ( -3.576 2.851 3.520) 5.771 10.997 ( -4.516 -0.206 2.091) 4.981 11.645 ( 8.032 7.123 7.899) 13.329 12.265 ( 3.880 9.845 -9.997) 14.557 12.368 ( 0.373 12.804 6.279) 14.265 12.449 ( 3.474 -2.128 3.714) 5.513 13.821 ( 1.780 -0.928 2.219) 2.992 14.182 ( 0.955 -10.587 -10.109) 14.669 14.641 ( -5.563 -1.668 -2.305) 6.249 14.701 ( -2.858 -1.748 -1.942) 3.873 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.25 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -1.260 10.505 15.761) 18.983 3.159 ( 2.285 -7.012 -3.821) 8.306 3.344 ( 4.067 12.685 17.398) 21.912 3.897 ( -5.270 -6.542 5.183) 9.871 4.030 ( -15.406 7.566 -0.544) 17.172 4.126 ( 4.290 10.567 4.196) 12.152 4.416 ( 4.342 0.194 -2.261) 4.900 4.523 ( -3.329 8.780 -4.989) 10.633 4.972 ( 10.158 1.703 12.129) 15.912 5.114 ( 8.773 -13.107 8.039) 17.703 5.340 ( 7.004 -8.124 8.183) 13.492 5.451 ( 0.273 2.400 3.617) 4.350 5.673 ( 1.337 1.802 0.985) 2.450 5.733 ( -3.543 -10.382 6.472) 12.737 5.878 ( -5.598 -5.912 2.309) 8.463 6.257 ( -11.049 -5.385 -1.828) 12.427 6.419 ( 4.282 -8.209 -7.936) 12.195 6.495 ( -12.529 -6.184 -9.709) 17.014 6.731 ( -2.999 4.266 0.320) 5.224 6.836 ( 1.471 5.487 -1.813) 5.963 7.008 ( -15.454 1.895 -2.799) 15.820 7.315 ( 1.946 -4.862 2.905) 5.989 7.391 ( -13.621 -1.312 -8.939) 16.345 7.584 ( 6.437 -3.910 2.936) 8.084 7.913 ( 1.362 7.307 -0.221) 7.436 8.113 ( -8.609 4.521 -6.573) 11.737 8.567 ( 5.119 -3.034 7.856) 9.855 8.647 ( 6.399 -1.903 4.585) 8.099 8.832 ( 3.528 0.864 -3.368) 4.954 8.978 ( 4.653 7.572 -0.788) 8.923 9.134 ( 3.626 -6.251 -3.851) 8.188 9.328 ( -0.956 -2.578 -6.601) 7.151 9.916 ( 5.029 4.539 -2.313) 7.158 10.013 ( 6.895 5.973 -4.180) 10.035 10.323 ( 0.807 -2.682 -4.120) 4.982 10.383 ( 4.792 -6.103 -0.751) 7.796 10.598 ( -2.611 1.963 -1.197) 3.479 10.724 ( -6.714 0.097 -1.033) 6.794 10.842 ( -6.168 0.188 3.678) 7.184 10.932 ( -2.708 -1.499 -1.340) 3.373 11.831 ( 10.199 8.285 7.476) 15.117 12.339 ( 0.882 10.926 -0.064) 10.962 12.393 ( 4.180 13.826 -1.613) 14.533 12.529 ( 4.032 1.808 2.275) 4.970 13.872 ( 3.351 -3.142 0.458) 4.616 14.215 ( 2.490 -10.085 -10.521) 14.785 14.493 ( -9.067 -2.231 -1.718) 9.495 14.619 ( -5.226 -3.288 -3.291) 6.997 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.38 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 11.818 10.310 10.045) 18.624 3.226 ( 3.593 -4.598 -7.638) 9.612 3.349 ( -7.319 5.180 9.701) 13.210 3.689 ( -12.687 2.566 0.395) 12.950 3.853 ( 0.982 10.192 8.868) 13.546 4.184 ( -2.058 11.508 6.688) 13.469 4.394 ( -3.014 4.021 -3.806) 6.304 4.494 ( -0.551 7.309 1.389) 7.460 5.098 ( 5.546 -9.138 11.807) 15.927 5.275 ( 3.349 -14.021 8.010) 16.491 5.463 ( 3.692 -0.599 -1.060) 3.887 5.495 ( 6.851 -9.920 4.538) 12.882 5.687 ( -0.145 -1.006 5.814) 5.902 5.726 ( 0.982 -18.590 1.102) 18.648 5.946 ( 7.747 3.025 -3.362) 8.971 5.978 ( -8.866 0.053 9.777) 13.199 6.231 ( -13.251 -5.024 -7.055) 15.831 6.549 ( 8.371 -2.753 -7.814) 11.778 6.678 ( -13.212 4.448 -2.516) 14.166 6.740 ( 0.021 5.105 0.294) 5.113 6.852 ( -1.804 6.457 1.207) 6.812 7.049 ( -15.573 0.990 -10.221) 18.654 7.441 ( 5.631 -7.675 -1.858) 9.699 7.638 ( -1.808 -8.875 -3.958) 9.884 7.983 ( 4.693 4.488 -0.355) 6.503 8.025 ( -0.049 7.251 -2.065) 7.540 8.586 ( -1.948 -5.173 4.536) 7.150 8.639 ( -4.430 -5.976 1.654) 7.621 8.969 ( 8.020 4.354 -0.456) 9.137 9.069 ( 3.782 6.161 -0.831) 7.276 9.204 ( 3.370 -3.304 -2.437) 5.311 9.311 ( -1.190 -1.920 -4.297) 4.855 10.017 ( 5.293 8.363 1.046) 9.952 10.123 ( 3.413 10.547 -1.704) 11.216 10.326 ( 0.598 -2.446 -1.548) 2.956 10.456 ( 0.871 -3.228 2.813) 4.369 10.558 ( -2.545 -2.752 0.580) 3.793 10.606 ( -3.931 -3.020 -6.857) 8.461 10.753 ( -1.314 -3.946 2.367) 4.785 10.870 ( -3.661 -4.018 -2.840) 6.133 12.029 ( 9.546 10.112 7.348) 15.728 12.302 ( -3.779 12.586 6.279) 14.564 12.502 ( 5.416 12.272 -5.195) 14.385 12.588 ( 1.588 6.381 -0.033) 6.576 13.959 ( 5.670 -4.618 -1.143) 7.401 14.263 ( -2.040 -6.728 -10.631) 12.745 14.317 ( -3.882 -5.572 -0.708) 6.828 14.505 ( -6.046 -5.296 -5.294) 9.625 ======================= Grid point 274 (95/120) ======================= q-point: (-0.50 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( -19.943 7.567 4.132) 21.727 2.965 ( 19.943 7.567 4.132) 21.727 3.450 ( -11.597 -2.304 -1.544) 11.924 3.450 ( 11.597 -2.304 -1.544) 11.924 4.009 ( -11.582 12.411 6.525) 18.187 4.009 ( 11.582 12.411 6.525) 18.187 4.437 ( -4.400 8.004 3.273) 9.702 4.437 ( 4.400 8.004 3.273) 9.702 5.227 ( -6.423 -12.520 9.521) 16.990 5.227 ( 6.423 -12.520 9.521) 16.990 5.550 ( -3.128 -10.714 -5.926) 12.637 5.550 ( 3.128 -10.714 -5.926) 12.637 5.705 ( -8.302 -5.383 11.980) 15.538 5.705 ( 8.302 -5.383 11.980) 15.538 5.924 ( -13.504 -6.269 -2.448) 15.088 5.924 ( 13.504 -6.269 -2.448) 15.088 6.336 ( -18.363 6.749 -0.843) 19.582 6.336 ( 18.363 6.749 -0.843) 19.582 6.764 ( -11.789 2.699 -8.605) 14.843 6.764 ( 11.789 2.699 -8.605) 14.843 6.801 ( -3.936 3.792 1.265) 5.610 6.801 ( 3.936 3.792 1.265) 5.610 7.552 ( -5.535 -8.821 -5.441) 11.749 7.552 ( 5.535 -8.821 -5.441) 11.749 8.043 ( -0.417 5.730 -0.710) 5.789 8.043 ( 0.417 5.730 -0.710) 5.789 8.566 ( -1.441 -5.944 2.585) 6.640 8.566 ( 1.441 -5.944 2.585) 6.640 9.083 ( -2.847 4.293 -0.321) 5.161 9.083 ( 2.847 4.292 -0.321) 5.161 9.269 ( -3.027 -1.769 -3.061) 4.654 9.269 ( 3.027 -1.769 -3.061) 4.654 10.115 ( -3.820 11.773 2.139) 12.560 10.115 ( 3.820 11.773 2.139) 12.560 10.387 ( -5.330 -1.098 0.021) 5.442 10.387 ( 5.330 -1.098 0.021) 5.442 10.553 ( -1.852 -5.635 -1.610) 6.147 10.553 ( 1.852 -5.635 -1.610) 6.147 10.793 ( -3.858 -5.753 -2.326) 7.307 10.793 ( 3.858 -5.753 -2.326) 7.307 12.195 ( -7.041 11.845 7.116) 15.509 12.195 ( 7.041 11.845 7.116) 15.509 12.582 ( -2.329 10.063 -2.869) 10.720 12.582 ( 2.329 10.063 -2.869) 10.720 14.100 ( -8.577 -4.442 -2.432) 9.961 14.100 ( 8.577 -4.442 -2.432) 9.961 14.389 ( -5.512 -7.322 -6.976) 11.518 14.389 ( 5.512 -7.322 -6.976) 11.518 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 0.000 5.280 10.328) 11.600 3.020 ( 0.000 -1.181 5.867) 5.984 3.414 ( 0.000 6.883 19.240) 20.434 3.648 ( 0.000 -12.274 13.928) 18.565 4.206 ( 0.000 9.877 0.668) 9.900 4.459 ( 0.000 -8.796 1.362) 8.901 4.481 ( 0.000 3.295 -7.448) 8.144 4.485 ( 0.000 7.449 -3.793) 8.359 4.902 ( 0.000 0.216 9.055) 9.058 4.925 ( 0.000 6.614 12.540) 14.177 5.105 ( 0.000 3.379 9.480) 10.064 5.252 ( 0.000 -4.740 2.759) 5.484 5.671 ( 0.000 -0.377 4.414) 4.430 5.844 ( 0.000 -11.759 -4.609) 12.630 5.996 ( 0.000 -0.597 3.780) 3.827 6.037 ( 0.000 -7.405 7.290) 10.391 6.496 ( 0.000 -0.510 -8.160) 8.176 6.513 ( 0.000 -3.985 -15.837) 16.331 6.828 ( 0.000 3.841 -4.426) 5.861 6.867 ( 0.000 -1.398 -8.304) 8.420 7.144 ( 0.000 0.440 2.979) 3.011 7.216 ( 0.000 -5.270 3.960) 6.592 7.752 ( 0.000 4.706 2.663) 5.407 7.840 ( 0.000 -3.192 9.381) 9.909 8.159 ( 0.000 6.922 3.442) 7.731 8.251 ( 0.000 -1.881 3.866) 4.299 8.363 ( 0.000 7.805 -3.101) 8.398 8.503 ( 0.000 -4.258 -4.455) 6.163 8.771 ( 0.000 2.493 -4.578) 5.212 8.845 ( 0.000 -5.018 -0.792) 5.080 9.003 ( 0.000 8.556 -8.278) 11.905 9.194 ( 0.000 -8.902 -7.407) 11.580 9.774 ( 0.000 2.477 -4.707) 5.319 9.848 ( 0.000 -3.576 -5.057) 6.194 10.188 ( 0.000 4.295 -7.023) 8.233 10.296 ( 0.000 -4.549 -5.777) 7.353 10.815 ( 0.000 4.843 0.757) 4.902 10.880 ( 0.000 -0.569 -0.272) 0.631 11.021 ( 0.000 0.120 3.362) 3.365 11.029 ( 0.000 -1.441 3.744) 4.012 11.810 ( 0.000 16.144 9.151) 18.558 12.154 ( 0.000 -14.733 6.732) 16.198 12.477 ( 0.000 7.932 -6.455) 10.226 12.537 ( 0.000 3.195 0.307) 3.210 13.834 ( 0.000 3.100 0.058) 3.101 13.956 ( 0.000 -8.812 -5.549) 10.413 14.685 ( 0.000 0.372 -4.846) 4.861 14.705 ( 0.000 -1.210 -4.194) 4.366 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.12 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -5.844 9.187 10.820) 15.349 3.012 ( -1.663 -6.478 4.283) 7.942 3.475 ( 5.399 8.864 17.651) 20.476 3.692 ( 3.469 -11.272 13.014) 17.563 4.232 ( 2.407 10.565 1.154) 10.897 4.404 ( -4.011 4.187 -3.220) 6.632 4.453 ( -2.415 1.310 -4.103) 4.938 4.572 ( 6.344 -7.088 -2.785) 9.912 4.832 ( -3.827 5.674 8.522) 10.930 4.995 ( 4.166 2.749 9.007) 10.298 5.131 ( 2.071 0.781 11.454) 11.665 5.289 ( 3.123 -7.368 4.816) 9.340 5.678 ( 1.125 3.078 3.911) 5.103 5.819 ( -4.529 -3.076 -1.518) 5.681 5.934 ( -5.862 -1.457 4.189) 7.351 6.012 ( 0.435 -13.343 3.412) 13.779 6.396 ( -5.961 1.248 -11.373) 12.901 6.492 ( -4.280 -7.297 -13.184) 15.664 6.884 ( -0.168 3.287 -2.587) 4.186 6.897 ( 5.372 4.068 -2.927) 7.347 7.138 ( -1.544 -1.732 2.747) 3.596 7.203 ( -0.747 -5.930 1.049) 6.068 7.581 ( -10.825 5.713 0.930) 12.276 7.680 ( -13.651 -3.479 0.439) 14.094 8.147 ( -3.169 9.475 0.690) 10.014 8.297 ( -1.446 -4.003 2.593) 4.984 8.416 ( 3.922 3.441 -0.170) 5.221 8.488 ( 3.612 -2.379 2.185) 4.845 8.796 ( 2.833 2.433 -3.237) 4.942 8.880 ( 4.105 -5.282 0.199) 6.692 9.075 ( 5.186 7.770 -7.339) 11.880 9.231 ( 2.465 -6.605 -7.144) 10.037 9.842 ( 6.508 2.723 -5.040) 8.670 9.919 ( 6.915 -3.148 -5.171) 9.191 10.201 ( 1.433 3.304 -6.196) 7.167 10.298 ( 0.214 -4.185 -4.764) 6.345 10.764 ( -4.687 4.474 0.852) 6.535 10.832 ( -4.843 -1.621 -0.153) 5.109 10.974 ( -4.551 0.357 2.848) 5.381 10.986 ( -3.824 -0.708 3.076) 4.958 11.893 ( 7.701 15.421 8.849) 19.376 12.218 ( 6.122 -13.630 6.190) 16.173 12.517 ( 3.591 7.282 -5.078) 9.577 12.560 ( 2.106 4.133 0.887) 4.723 13.839 ( 0.602 2.976 -0.792) 3.138 13.964 ( 0.938 -8.999 -6.174) 10.954 14.631 ( -5.357 0.753 -4.863) 7.274 14.662 ( -4.263 -1.914 -4.478) 6.472 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.25 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 0.053 11.774 8.859) 14.734 2.994 ( 1.179 -9.070 1.676) 9.298 3.570 ( 2.113 8.328 12.128) 14.864 3.733 ( -0.811 -8.045 9.036) 12.126 4.228 ( -5.022 11.331 1.380) 12.471 4.355 ( 2.092 7.253 0.984) 7.613 4.426 ( 0.523 1.978 -2.314) 3.089 4.702 ( 3.381 -18.145 3.285) 18.747 4.766 ( 0.045 15.009 1.749) 15.111 5.076 ( 3.382 -5.002 3.202) 6.834 5.162 ( 0.390 -2.672 13.371) 13.641 5.335 ( 0.894 -12.874 8.064) 15.217 5.645 ( -7.060 5.839 -0.533) 9.177 5.727 ( -3.255 -0.084 4.167) 5.288 5.864 ( 4.810 5.421 1.624) 7.427 6.093 ( 4.823 -12.648 4.358) 14.221 6.275 ( -5.372 -0.599 -11.036) 12.288 6.348 ( -10.108 -6.372 -10.049) 15.613 6.851 ( -2.009 6.291 2.564) 7.084 6.951 ( -3.180 -1.082 0.723) 3.436 7.067 ( -2.246 7.193 -1.535) 7.690 7.210 ( 0.867 -5.080 -2.828) 5.879 7.388 ( -13.654 0.885 -7.488) 15.597 7.458 ( -3.540 -6.054 -2.636) 7.493 8.095 ( -0.846 8.258 1.798) 8.493 8.187 ( -4.821 0.601 -0.277) 4.866 8.504 ( 2.125 -1.279 3.379) 4.191 8.556 ( 0.599 -5.127 2.018) 5.542 8.897 ( 7.624 4.532 -0.660) 8.894 8.997 ( 7.011 -4.740 0.563) 8.481 9.157 ( 2.840 6.199 -4.848) 8.366 9.261 ( 0.604 -3.914 -4.849) 6.261 10.000 ( 8.686 4.669 -4.737) 10.940 10.095 ( 9.931 -1.317 -5.592) 11.473 10.252 ( 3.981 -0.117 -3.949) 5.608 10.308 ( 0.950 -2.792 -2.463) 3.843 10.653 ( -6.158 2.812 0.691) 6.805 10.703 ( -7.574 -1.910 1.306) 7.919 10.855 ( -7.306 1.182 1.613) 7.575 10.892 ( -5.501 -2.126 0.789) 5.950 12.082 ( 10.742 14.564 8.298) 19.909 12.370 ( 8.566 -10.739 4.985) 14.614 12.577 ( 1.425 7.167 1.573) 7.475 12.620 ( 3.912 4.245 -1.043) 5.866 13.864 ( 2.230 3.001 -2.904) 4.734 14.000 ( 2.903 -9.394 -7.585) 12.418 14.484 ( -9.163 1.551 -5.003) 10.555 14.544 ( -7.417 -3.646 -5.330) 9.834 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.38 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 10.214 11.681 4.841) 16.254 3.092 ( 8.958 -8.646 -1.342) 12.522 3.471 ( -12.403 6.494 3.780) 14.501 3.612 ( -11.464 -6.429 1.459) 13.224 4.193 ( 3.593 17.671 7.893) 19.684 4.421 ( 1.403 -1.153 1.672) 2.469 4.450 ( 2.124 10.751 6.666) 12.827 4.643 ( -3.737 -0.035 9.275) 10.000 4.894 ( 7.424 -3.147 -2.300) 8.385 5.091 ( -2.511 -1.910 2.381) 3.952 5.152 ( 0.462 -14.713 6.792) 16.212 5.314 ( -3.568 -16.544 3.569) 17.297 5.583 ( 2.275 6.154 2.057) 6.876 5.680 ( 1.581 -2.337 3.824) 4.752 5.963 ( -12.224 1.467 2.895) 12.647 6.013 ( -4.172 -1.901 2.979) 5.468 6.203 ( 6.040 5.237 -5.895) 9.933 6.382 ( 12.404 -9.988 -5.771) 16.939 6.774 ( -12.008 3.956 -3.302) 13.067 6.819 ( -3.646 0.638 -0.022) 3.702 7.056 ( -1.241 9.641 -2.791) 10.113 7.131 ( -8.098 8.651 -5.964) 13.266 7.259 ( 1.938 -8.539 -1.964) 8.974 7.397 ( -3.567 -12.873 -4.119) 13.978 8.134 ( 4.551 7.224 0.824) 8.578 8.168 ( 2.559 4.756 0.674) 5.442 8.477 ( -4.159 -4.025 1.811) 6.064 8.502 ( -5.239 -5.951 0.537) 7.946 9.060 ( 7.643 4.208 0.087) 8.725 9.126 ( 5.232 -1.638 0.440) 5.500 9.197 ( 1.517 2.796 -3.444) 4.689 9.259 ( -0.811 -2.919 -2.636) 4.016 10.162 ( 7.550 6.451 -1.442) 10.035 10.284 ( 9.020 0.298 -6.124) 10.907 10.336 ( 2.530 1.110 1.641) 3.214 10.353 ( 4.362 -1.250 -1.811) 4.886 10.522 ( -7.079 0.104 1.773) 7.299 10.574 ( -4.137 -2.568 -0.958) 4.963 10.696 ( -8.208 0.653 0.739) 8.267 10.772 ( -6.540 -4.981 -1.503) 8.357 12.293 ( 10.110 13.780 7.611) 18.709 12.524 ( 4.929 -1.737 3.532) 6.308 12.576 ( -0.146 4.340 5.270) 6.829 12.677 ( 1.138 0.591 0.549) 1.395 13.939 ( 5.540 3.424 -5.018) 8.222 14.083 ( 5.468 -9.133 -8.732) 13.768 14.286 ( -10.456 2.344 -5.176) 11.900 14.383 ( -8.579 -5.985 -6.651) 12.396 ======================= Grid point 283 (100/120) ======================= q-point: (-0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( -16.292 9.658 1.379) 18.990 3.149 ( 16.292 9.658 1.379) 18.990 3.341 ( -13.864 -7.854 -1.411) 15.996 3.341 ( 13.864 -7.854 -1.411) 15.996 4.322 ( -7.621 16.240 7.773) 19.551 4.322 ( 7.621 16.240 7.773) 19.551 4.559 ( -5.674 -1.261 8.484) 10.284 4.559 ( 5.674 -1.261 8.484) 10.284 5.013 ( -4.850 -2.375 1.735) 5.673 5.013 ( 4.850 -2.375 1.735) 5.673 5.214 ( -5.304 -16.763 -0.311) 17.585 5.214 ( 5.304 -16.763 -0.311) 17.585 5.715 ( -9.702 3.779 6.043) 12.039 5.715 ( 9.702 3.779 6.043) 12.039 5.813 ( -9.609 -5.088 0.946) 10.914 5.813 ( 9.609 -5.088 0.946) 10.914 6.487 ( -16.254 7.597 -3.233) 18.231 6.487 ( 16.254 7.597 -3.233) 18.231 6.645 ( -12.925 -7.291 -4.995) 15.657 6.645 ( 12.925 -7.291 -4.995) 15.657 7.050 ( -1.879 13.123 -2.370) 13.467 7.050 ( 1.879 13.123 -2.370) 13.467 7.320 ( -3.829 -12.474 -2.795) 13.344 7.320 ( 3.829 -12.474 -2.795) 13.344 8.217 ( -0.900 9.622 -0.227) 9.667 8.217 ( 0.900 9.622 -0.227) 9.667 8.413 ( -0.846 -8.623 1.301) 8.761 8.413 ( 0.846 -8.623 1.301) 8.761 9.164 ( -2.159 3.559 -0.607) 4.206 9.164 ( 2.159 3.559 -0.607) 4.206 9.229 ( -2.002 -2.475 -2.038) 3.780 9.229 ( 2.002 -2.475 -2.038) 3.780 10.301 ( -6.017 6.003 1.466) 8.625 10.301 ( 6.017 6.003 1.466) 8.625 10.411 ( -3.870 -3.595 2.503) 5.845 10.411 ( 3.870 -3.595 2.503) 5.845 10.478 ( -8.603 5.455 -4.875) 11.293 10.478 ( 8.603 5.455 -4.875) 11.293 10.647 ( -5.024 -8.096 -1.570) 9.656 10.647 ( 5.024 -8.096 -1.570) 9.656 12.464 ( -6.855 12.554 6.461) 15.695 12.464 ( 6.855 12.554 6.461) 15.695 12.653 ( -3.552 -3.790 2.673) 5.842 12.653 ( 3.552 -3.790 2.673) 5.842 14.084 ( -8.857 3.506 -6.223) 11.378 14.084 ( 8.857 3.506 -6.223) 11.378 14.220 ( -7.536 -8.283 -7.561) 13.512 14.220 ( 7.536 -8.283 -7.561) 13.512 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 0.000 0.000 23.878) 23.878 3.274 ( 0.000 0.000 21.954) 21.954 3.534 ( 0.000 0.000 -0.455) 0.455 3.639 ( 0.000 0.000 -12.501) 12.501 3.900 ( 0.000 0.000 -1.447) 1.447 4.022 ( 0.000 0.000 -15.103) 15.103 4.145 ( 0.000 0.000 -2.344) 2.344 4.178 ( 0.000 0.000 -7.375) 7.375 4.878 ( 0.000 0.000 21.737) 21.737 5.120 ( 0.000 0.000 -1.418) 1.418 5.561 ( 0.000 0.000 -5.817) 5.817 5.562 ( 0.000 0.000 -5.783) 5.783 5.768 ( 0.000 0.000 17.398) 17.398 6.167 ( 0.000 0.000 -17.405) 17.405 6.338 ( 0.000 0.000 12.171) 12.171 6.419 ( 0.000 0.000 19.167) 19.167 6.611 ( 0.000 0.000 1.228) 1.228 6.621 ( 0.000 0.000 -8.172) 8.172 6.774 ( 0.000 0.000 -10.835) 10.835 6.794 ( 0.000 0.000 -15.789) 15.789 7.268 ( 0.000 0.000 6.140) 6.140 7.436 ( 0.000 0.000 -8.973) 8.973 7.627 ( 0.000 0.000 10.673) 10.673 7.827 ( 0.000 0.000 -7.669) 7.669 8.050 ( 0.000 0.000 4.842) 4.842 8.068 ( 0.000 0.000 5.076) 5.076 8.235 ( 0.000 0.000 3.405) 3.405 8.291 ( 0.000 0.000 -2.489) 2.489 8.607 ( 0.000 0.000 4.862) 4.862 8.742 ( 0.000 0.000 -6.211) 6.211 9.262 ( 0.000 0.000 -0.474) 0.474 9.323 ( 0.000 0.000 -5.970) 5.970 9.700 ( 0.000 0.000 0.178) 0.178 9.736 ( 0.000 0.000 -3.144) 3.144 10.346 ( 0.000 0.000 4.417) 4.417 10.419 ( 0.000 0.000 -3.506) 3.506 10.590 ( 0.000 0.000 -3.068) 3.068 10.600 ( 0.000 0.000 -4.091) 4.091 10.812 ( 0.000 0.000 2.928) 2.928 10.876 ( 0.000 0.000 -2.956) 2.956 11.773 ( 0.000 0.000 9.653) 9.653 11.962 ( 0.000 0.000 -8.176) 8.176 12.078 ( 0.000 0.000 6.577) 6.577 12.193 ( 0.000 0.000 -4.410) 4.410 14.007 ( 0.000 0.000 8.310) 8.310 14.201 ( 0.000 0.000 -10.254) 10.254 14.779 ( 0.000 0.000 0.695) 0.695 14.782 ( 0.000 0.000 0.297) 0.297 ======================= Grid point 316 (102/120) ======================= q-point: ( 0.12 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -16.233 0.000 22.484) 27.731 3.279 ( 3.732 0.000 22.476) 22.784 3.410 ( -12.124 0.000 -11.880) 16.974 3.652 ( 1.123 0.000 -11.780) 11.833 4.025 ( 9.680 0.000 2.363) 9.964 4.126 ( 3.388 0.000 -7.233) 7.987 4.131 ( -0.064 0.000 0.502) 0.506 4.225 ( 3.435 0.000 -8.610) 9.270 4.962 ( 9.483 0.000 19.252) 21.461 5.181 ( 6.074 0.000 -1.122) 6.177 5.526 ( -1.472 0.000 -2.339) 2.763 5.588 ( 1.453 0.000 -8.587) 8.709 5.777 ( 0.819 0.000 17.296) 17.315 6.159 ( -1.036 0.000 -14.542) 14.579 6.222 ( -8.861 0.000 8.486) 12.268 6.322 ( -7.868 0.000 18.396) 20.007 6.485 ( -10.438 0.000 -13.876) 17.364 6.687 ( -8.619 0.000 -15.727) 17.934 6.695 ( 5.856 0.000 4.866) 7.614 6.827 ( 3.040 0.000 -7.710) 8.287 7.282 ( -4.454 0.000 7.050) 8.339 7.460 ( -4.082 0.000 -9.260) 10.120 7.580 ( -4.975 0.000 9.318) 10.562 7.757 ( -5.042 0.000 -7.222) 8.807 7.764 ( -10.505 0.000 12.097) 16.022 7.956 ( -8.187 0.000 -5.975) 10.135 8.348 ( 7.324 0.000 1.863) 7.557 8.387 ( 11.281 0.000 -2.072) 11.469 8.764 ( 10.058 0.000 7.637) 12.629 8.893 ( 7.183 0.000 -4.250) 8.346 9.274 ( 1.413 0.000 0.287) 1.442 9.345 ( 2.643 0.000 -5.868) 6.435 9.693 ( -0.457 0.000 1.532) 1.599 9.751 ( 0.976 0.000 -3.759) 3.883 10.362 ( 2.316 0.000 3.235) 3.978 10.432 ( 1.206 0.000 -4.696) 4.848 10.569 ( 1.331 0.000 1.813) 2.249 10.670 ( 3.550 0.000 -7.010) 7.857 10.797 ( -1.468 0.000 3.287) 3.600 10.863 ( -1.276 0.000 -2.821) 3.096 11.798 ( 2.488 0.000 8.917) 9.258 11.976 ( 1.274 0.000 -7.747) 7.851 12.071 ( -0.636 0.000 6.128) 6.160 12.180 ( -1.269 0.000 -4.253) 4.439 14.031 ( 2.317 0.000 7.339) 7.696 14.210 ( 0.968 0.000 -9.824) 9.872 14.734 ( -4.045 0.000 1.505) 4.316 14.757 ( -2.874 0.000 -0.583) 2.933 ======================= Grid point 317 (103/120) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -8.561 0.000 21.681) 23.310 3.184 ( -8.989 0.000 -16.887) 19.130 3.377 ( 5.824 0.000 18.334) 19.236 3.670 ( 0.322 0.000 -8.945) 8.950 4.002 ( -12.118 0.000 6.214) 13.618 4.128 ( -4.607 0.000 -5.312) 7.031 4.157 ( 2.714 0.000 4.415) 5.183 4.294 ( 3.209 0.000 -8.262) 8.863 5.249 ( 17.429 0.000 10.790) 20.499 5.355 ( 11.663 0.000 1.437) 11.751 5.546 ( 4.655 0.000 1.255) 4.821 5.645 ( 5.030 0.000 -8.702) 10.052 5.794 ( 0.587 0.000 16.931) 16.941 6.047 ( -6.674 0.000 5.896) 8.906 6.139 ( -2.035 0.000 -13.065) 13.223 6.174 ( -6.574 0.000 17.896) 19.065 6.257 ( -11.966 0.000 -15.132) 19.292 6.522 ( -7.542 0.000 -14.158) 16.041 6.804 ( 4.791 0.000 3.713) 6.061 6.877 ( 2.373 0.000 -3.096) 3.901 6.966 ( -21.676 0.000 8.723) 23.366 7.165 ( -21.415 0.000 -9.726) 23.520 7.458 ( -6.344 0.000 6.686) 9.216 7.647 ( -6.392 0.000 -10.671) 12.439 7.804 ( 9.166 0.000 10.535) 13.964 7.982 ( 7.069 0.000 -6.154) 9.372 8.536 ( 11.367 0.000 4.758) 12.323 8.638 ( 12.631 0.000 -4.719) 13.484 8.856 ( -0.639 0.000 4.220) 4.268 8.916 ( -3.923 0.000 -1.691) 4.271 9.324 ( 3.225 0.000 2.640) 4.168 9.410 ( 2.770 0.000 -4.672) 5.431 9.684 ( -0.547 0.000 3.094) 3.142 9.759 ( -0.431 0.000 -3.814) 3.839 10.440 ( 5.110 0.000 2.876) 5.863 10.494 ( 5.287 0.000 -1.577) 5.518 10.627 ( 3.795 0.000 -0.288) 3.806 10.726 ( 2.132 0.000 -7.851) 8.136 10.762 ( -1.730 0.000 3.933) 4.297 10.828 ( -2.144 0.000 -2.077) 2.985 11.864 ( 3.930 0.000 6.802) 7.855 12.005 ( 1.475 0.000 -6.419) 6.586 12.057 ( -0.627 0.000 4.723) 4.764 12.146 ( -2.094 0.000 -3.652) 4.210 14.092 ( 3.680 0.000 5.219) 6.386 14.239 ( 1.846 0.000 -8.843) 9.034 14.630 ( -6.166 0.000 2.504) 6.655 14.675 ( -5.121 0.000 -1.735) 5.407 ======================= Grid point 318 (104/120) ======================= q-point: ( 0.38 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 4.684 0.000 16.401) 17.057 3.069 ( -4.053 0.000 -15.056) 15.592 3.494 ( 5.766 0.000 11.876) 13.201 3.655 ( -1.927 0.000 -3.249) 3.778 3.708 ( -13.681 0.000 9.282) 16.533 3.906 ( -15.499 0.000 -9.147) 17.997 4.231 ( 4.414 0.000 5.407) 6.980 4.336 ( 0.589 0.000 -3.879) 3.924 5.534 ( 11.979 0.000 7.119) 13.934 5.637 ( 13.398 0.000 -0.629) 13.413 5.694 ( 8.053 0.000 4.328) 9.143 5.797 ( 0.461 0.000 10.977) 10.986 5.801 ( 9.236 0.000 -5.929) 10.975 5.980 ( -1.635 0.000 0.324) 1.667 6.028 ( -8.114 0.000 -8.231) 11.558 6.070 ( -2.242 0.000 18.418) 18.554 6.098 ( -3.291 0.000 -10.888) 11.374 6.393 ( -5.012 0.000 -11.191) 12.262 6.570 ( -17.398 0.000 7.099) 18.791 6.741 ( -20.184 0.000 -9.021) 22.108 6.878 ( 2.938 0.000 4.384) 5.278 6.924 ( 1.765 0.000 0.513) 1.838 7.366 ( -2.136 0.000 0.045) 2.136 7.510 ( -7.091 0.000 -11.906) 13.858 7.998 ( 9.262 0.000 7.258) 11.767 8.113 ( 4.804 0.000 -3.486) 5.935 8.759 ( 10.144 0.000 3.880) 10.860 8.789 ( -4.698 0.000 1.306) 4.876 8.803 ( -5.944 0.000 -0.319) 5.953 8.844 ( 7.327 0.000 -4.203) 8.448 9.380 ( 2.355 0.000 2.560) 3.478 9.435 ( -0.085 0.000 -2.120) 2.122 9.672 ( -0.364 0.000 2.881) 2.904 9.730 ( -2.288 0.000 -2.582) 3.450 10.543 ( 4.757 0.000 4.541) 6.576 10.595 ( 3.529 0.000 3.286) 4.822 10.701 ( 3.499 0.000 -6.063) 7.000 10.739 ( -0.450 0.000 3.803) 3.830 10.756 ( 0.933 0.000 -7.973) 8.028 10.784 ( -2.222 0.000 -0.260) 2.237 11.943 ( 3.836 0.000 3.432) 5.148 12.023 ( 0.143 0.000 -4.035) 4.037 12.052 ( 0.200 0.000 2.437) 2.445 12.103 ( -2.140 0.000 -2.329) 3.163 14.172 ( 4.384 0.000 2.907) 5.260 14.275 ( 1.326 0.000 -7.044) 7.168 14.512 ( -4.843 0.000 2.770) 5.579 14.568 ( -5.376 0.000 -2.555) 5.952 ======================= Grid point 319 (105/120) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -11.391 0.000 3.591) 11.943 2.920 ( 11.391 0.000 3.591) 11.943 3.594 ( -4.192 0.000 4.202) 5.936 3.594 ( 4.192 0.000 4.202) 5.936 3.639 ( -7.935 0.000 -3.979) 8.876 3.639 ( 7.935 0.000 -3.979) 8.876 4.310 ( -3.036 0.000 2.225) 3.764 4.310 ( 3.036 0.000 2.225) 3.764 5.747 ( -7.257 0.000 6.723) 9.892 5.747 ( 7.257 0.000 6.723) 9.892 5.800 ( -3.951 0.000 0.820) 4.036 5.800 ( 3.951 0.000 0.820) 4.036 5.853 ( -5.670 0.000 -0.409) 5.685 5.853 ( 5.670 0.000 -0.409) 5.685 6.034 ( -3.044 0.000 -4.182) 5.172 6.034 ( 3.044 0.000 -4.182) 5.172 6.242 ( -14.586 0.000 5.385) 15.548 6.242 ( 14.586 0.000 5.385) 15.548 6.429 ( -8.590 0.000 -7.119) 11.156 6.429 ( 8.590 0.000 -7.119) 11.156 6.925 ( -1.592 0.000 4.104) 4.402 6.925 ( 1.592 0.000 4.104) 4.402 7.390 ( -4.323 0.000 -8.445) 9.487 7.390 ( 4.323 0.000 -8.445) 9.487 8.132 ( -3.389 0.000 1.855) 3.863 8.132 ( 3.389 0.000 1.855) 3.863 8.733 ( -0.370 0.000 0.086) 0.379 8.733 ( 0.370 0.000 0.086) 0.380 8.894 ( -2.611 0.000 -0.183) 2.617 8.894 ( 2.611 0.000 -0.183) 2.617 9.418 ( -1.471 0.000 0.579) 1.581 9.418 ( 1.471 0.000 0.579) 1.581 9.684 ( -1.797 0.000 0.185) 1.807 9.684 ( 1.797 0.000 0.185) 1.807 10.610 ( -1.699 0.000 5.035) 5.314 10.610 ( 1.699 0.000 5.035) 5.314 10.748 ( -1.277 0.000 2.164) 2.513 10.748 ( 1.277 0.000 2.164) 2.513 10.754 ( -1.478 0.000 -7.938) 8.074 10.754 ( 1.478 0.000 -7.938) 8.074 12.004 ( -2.133 0.000 -0.551) 2.203 12.004 ( 2.133 0.000 -0.551) 2.203 12.067 ( -1.368 0.000 -0.172) 1.378 12.067 ( 1.368 0.000 -0.172) 1.378 14.256 ( -3.467 0.000 -1.023) 3.615 14.256 ( 3.467 0.000 -1.023) 3.615 14.484 ( -2.302 0.000 -1.130) 2.564 14.484 ( 2.302 0.000 -1.130) 2.564 ======================= Grid point 324 (106/120) ======================= q-point: ( 0.00 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 0.000 -4.244 14.949) 15.539 3.203 ( 0.000 -5.566 13.737) 14.822 3.606 ( 0.000 5.019 4.638) 6.833 3.696 ( 0.000 5.617 -6.013) 8.229 3.972 ( 0.000 5.846 -2.247) 6.263 4.034 ( 0.000 3.128 -8.572) 9.124 4.226 ( 0.000 3.650 -1.056) 3.800 4.294 ( 0.000 10.682 -7.022) 12.784 4.867 ( 0.000 -0.420 18.598) 18.603 5.081 ( 0.000 -3.574 -2.541) 4.385 5.491 ( 0.000 -3.930 3.294) 5.128 5.512 ( 0.000 -4.500 -1.783) 4.840 5.847 ( 0.000 4.496 6.975) 8.298 6.147 ( 0.000 -3.117 -13.518) 13.873 6.244 ( 0.000 -6.276 15.280) 16.519 6.411 ( 0.000 -2.653 6.472) 6.994 6.519 ( 0.000 -7.733 0.626) 7.758 6.531 ( 0.000 -6.847 -9.757) 11.920 6.687 ( 0.000 -5.571 -6.036) 8.214 6.761 ( 0.000 -3.766 -14.054) 14.550 7.368 ( 0.000 7.808 7.928) 11.127 7.496 ( 0.000 -5.294 3.152) 6.161 7.595 ( 0.000 7.715 -3.741) 8.574 7.689 ( 0.000 -8.143 -5.333) 9.734 8.089 ( 0.000 1.963 7.327) 7.585 8.163 ( 0.000 6.052 -0.112) 6.053 8.332 ( 0.000 6.920 6.420) 9.440 8.365 ( 0.000 6.929 0.016) 6.929 8.586 ( 0.000 -1.610 2.017) 2.581 8.721 ( 0.000 -2.127 -7.524) 7.819 9.172 ( 0.000 -7.089 1.754) 7.303 9.283 ( 0.000 -3.788 -8.174) 9.009 9.706 ( 0.000 0.383 -0.379) 0.539 9.724 ( 0.000 0.077 -1.909) 1.911 10.312 ( 0.000 -8.158 -1.403) 8.278 10.321 ( 0.000 -3.000 -0.666) 3.073 10.627 ( 0.000 3.857 -0.115) 3.859 10.669 ( 0.000 6.107 -3.426) 7.003 10.912 ( 0.000 7.463 2.869) 7.995 10.973 ( 0.000 6.882 -2.698) 7.393 11.711 ( 0.000 -2.419 9.724) 10.020 11.910 ( 0.000 -1.007 -9.104) 9.160 12.238 ( 0.000 11.606 6.180) 13.149 12.339 ( 0.000 9.508 -3.451) 10.114 13.959 ( 0.000 -4.092 7.341) 8.405 14.138 ( 0.000 -5.717 -9.766) 11.316 14.751 ( 0.000 -2.841 0.391) 2.868 14.755 ( 0.000 -2.152 0.076) 2.154 ======================= Grid point 325 (107/120) ======================= q-point: ( 0.12 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -12.402 -2.697 18.335) 22.299 3.235 ( -2.548 -6.411 -0.093) 6.899 3.464 ( -4.848 8.544 11.609) 15.207 3.770 ( 1.182 8.351 -11.077) 13.923 4.038 ( 6.411 1.407 2.106) 6.893 4.118 ( 3.068 1.979 -4.601) 5.874 4.235 ( 1.780 3.404 -1.770) 4.229 4.287 ( -1.397 7.650 -4.928) 9.207 4.957 ( 9.625 -0.177 16.389) 19.007 5.150 ( 6.784 -2.987 -2.215) 7.736 5.487 ( 0.510 -2.479 3.170) 4.056 5.536 ( 1.824 -4.329 -3.202) 5.685 5.816 ( -2.750 2.161 10.288) 10.866 6.143 ( -0.559 -2.759 -11.558) 11.896 6.180 ( -6.325 -4.183 10.045) 12.586 6.277 ( -8.734 -3.639 7.722) 12.213 6.422 ( -7.907 -5.463 -10.906) 14.536 6.541 ( -2.108 -7.913 -6.158) 10.246 6.723 ( 2.707 -1.421 -4.420) 5.374 6.762 ( 0.812 -4.886 -6.192) 7.930 7.330 ( -10.939 3.704 7.267) 13.645 7.506 ( -10.869 1.640 -6.342) 12.690 7.564 ( 4.229 -1.360 1.837) 4.807 7.594 ( -1.151 -7.065 2.487) 7.578 7.853 ( -10.294 4.971 7.787) 13.831 8.031 ( -11.493 5.128 -8.660) 15.277 8.433 ( 8.769 6.876 2.516) 11.423 8.462 ( 9.258 6.849 0.296) 11.520 8.743 ( 10.525 -2.377 6.563) 12.629 8.869 ( 6.871 -2.343 -4.348) 8.462 9.189 ( 2.026 -7.121 0.698) 7.436 9.272 ( -0.521 -4.914 -6.726) 8.346 9.733 ( 2.592 2.737 0.132) 3.772 9.760 ( 3.394 1.218 -2.285) 4.269 10.336 ( 1.691 -4.804 -0.638) 5.132 10.346 ( 3.550 -5.555 -1.942) 6.872 10.599 ( -1.774 3.618 1.991) 4.495 10.679 ( -0.048 2.876 -4.935) 5.712 10.898 ( -1.279 6.716 2.490) 7.275 10.948 ( -2.246 5.564 -1.972) 6.316 11.755 ( 4.202 -0.897 8.625) 9.636 11.936 ( 2.528 0.344 -8.457) 8.834 12.234 ( -0.397 11.979 6.121) 13.458 12.338 ( -0.243 10.388 -3.659) 11.017 13.979 ( 1.935 -4.519 6.568) 8.204 14.147 ( 0.912 -5.806 -9.469) 11.145 14.703 ( -4.313 -2.827 1.316) 5.322 14.728 ( -3.074 -2.607 -0.896) 4.129 ======================= Grid point 326 (108/120) ======================= q-point: ( 0.25 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -6.779 0.850 18.641) 19.854 3.119 ( -6.003 -4.651 -13.397) 15.400 3.477 ( 3.634 8.490 17.135) 19.465 3.758 ( -2.733 6.823 -8.822) 11.483 4.030 ( -10.722 2.159 4.855) 11.966 4.115 ( -0.873 0.660 -0.453) 1.185 4.242 ( -1.427 6.019 -1.406) 6.343 4.311 ( 4.084 2.069 -5.548) 7.193 5.223 ( 15.202 -2.590 9.518) 18.122 5.342 ( 12.704 -1.962 -0.577) 12.868 5.531 ( 3.764 -1.363 3.236) 5.148 5.585 ( 3.947 -4.308 -1.662) 6.075 5.777 ( 0.117 -1.897 12.108) 12.256 6.015 ( -8.814 -3.827 6.995) 11.885 6.116 ( -6.280 -2.600 -4.466) 8.133 6.130 ( -2.718 -4.638 -5.381) 7.607 6.277 ( -6.618 2.080 -4.169) 8.094 6.453 ( -5.228 -5.609 -10.028) 12.623 6.754 ( 0.563 -4.226 1.531) 4.530 6.812 ( 2.737 -3.303 -3.168) 5.333 6.969 ( -19.909 0.780 7.574) 21.315 7.171 ( -19.652 0.397 -10.707) 22.383 7.526 ( -5.759 2.951 7.341) 9.786 7.659 ( -0.069 -0.642 -2.210) 2.303 7.832 ( 3.625 4.470 1.904) 6.062 7.914 ( 3.559 -3.761 -4.644) 6.955 8.630 ( 10.689 6.983 3.060) 13.129 8.685 ( 11.533 4.349 -1.864) 12.466 8.843 ( -0.531 -1.952 3.332) 3.898 8.891 ( -3.357 -2.144 -1.112) 4.136 9.248 ( 3.272 -5.765 0.172) 6.631 9.285 ( 1.608 -7.222 -3.296) 8.100 9.794 ( 3.044 6.825 1.332) 7.591 9.834 ( 3.364 5.510 -2.462) 6.909 10.391 ( 3.781 -5.074 1.809) 6.582 10.454 ( 6.847 -4.658 -3.203) 8.879 10.573 ( -0.847 -0.728 1.743) 2.070 10.652 ( -2.468 -1.388 -4.606) 5.407 10.867 ( -1.826 4.390 1.558) 5.004 10.898 ( -2.386 3.369 -1.067) 4.264 11.865 ( 6.546 2.214 6.400) 9.419 12.005 ( 4.374 4.051 -6.890) 9.111 12.218 ( -1.302 12.376 5.862) 13.756 12.325 ( -1.251 12.171 -4.133) 12.914 14.032 ( 3.328 -5.339 4.873) 7.958 14.175 ( 1.904 -5.861 -8.794) 10.738 14.591 ( -6.625 -3.476 2.422) 7.864 14.640 ( -5.495 -3.200 -2.107) 6.698 ======================= Grid point 327 (109/120) ======================= q-point: ( 0.38 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 5.332 2.621 14.516) 15.685 3.056 ( -1.137 -0.858 -13.362) 13.437 3.513 ( -3.192 0.779 9.919) 10.449 3.625 ( -8.732 1.154 0.284) 8.813 3.838 ( -5.508 7.516 4.832) 10.496 3.972 ( -9.709 7.090 -6.871) 13.847 4.283 ( 4.019 4.935 4.514) 7.803 4.368 ( 1.275 3.436 -3.029) 4.755 5.485 ( 11.392 -5.091 6.382) 14.015 5.598 ( 4.285 -6.234 9.394) 12.061 5.602 ( 9.774 -6.696 -5.118) 12.906 5.731 ( 8.775 -6.012 0.630) 10.656 5.837 ( 2.079 -2.170 4.445) 5.366 5.856 ( -4.617 -1.822 4.388) 6.625 6.010 ( -3.582 -3.128 -2.451) 5.349 6.053 ( -4.133 -1.764 -8.807) 9.887 6.176 ( -2.802 3.532 6.560) 7.960 6.380 ( -1.244 -1.373 -8.411) 8.612 6.587 ( -16.258 2.501 3.307) 16.779 6.687 ( -11.330 -1.167 -3.359) 11.874 6.876 ( -0.354 -2.024 -0.133) 2.059 6.889 ( -2.310 -2.360 -1.912) 3.816 7.434 ( -2.615 4.608 0.889) 5.372 7.553 ( -7.021 2.826 -9.250) 11.952 7.965 ( 7.516 -1.675 4.633) 8.987 8.031 ( 5.167 -5.727 -1.411) 7.841 8.747 ( -2.724 -2.758 1.843) 4.292 8.766 ( -5.436 -3.287 0.267) 6.358 8.857 ( 7.930 6.741 1.751) 10.554 8.909 ( 6.539 5.012 -2.705) 8.672 9.297 ( 1.445 -5.484 0.207) 5.675 9.308 ( 0.436 -6.550 -0.874) 6.623 9.843 ( 1.955 11.053 1.783) 11.365 9.875 ( 0.830 10.568 -1.292) 10.679 10.460 ( 2.533 -7.372 3.709) 8.632 10.549 ( -1.895 -4.218 1.459) 4.849 10.585 ( 4.906 -5.645 -5.214) 9.117 10.618 ( 0.396 -4.388 -2.451) 5.042 10.831 ( -1.345 1.718 1.508) 2.652 10.860 ( -1.704 1.654 -1.452) 2.783 11.997 ( 6.456 5.214 4.646) 9.510 12.102 ( 5.215 8.677 -5.376) 11.463 12.180 ( -2.705 11.670 5.274) 13.089 12.283 ( -3.043 13.280 -4.536) 14.360 14.109 ( 4.393 -5.727 2.921) 7.786 14.214 ( 1.523 -5.578 -7.237) 9.263 14.464 ( -5.306 -4.416 2.760) 7.434 14.525 ( -5.824 -4.028 -2.980) 7.683 ======================= Grid point 328 (110/120) ======================= q-point: (-0.50 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -10.867 2.885 3.331) 11.727 2.950 ( 10.867 2.885 3.331) 11.727 3.477 ( -5.492 -4.658 -1.124) 7.288 3.477 ( 5.492 -4.658 -1.124) 7.288 3.835 ( -4.091 11.734 1.324) 12.497 3.835 ( 4.091 11.734 1.324) 12.497 4.354 ( -2.556 4.478 2.026) 5.540 4.354 ( 2.556 4.478 2.026) 5.540 5.671 ( -5.357 -8.141 1.330) 9.836 5.671 ( 5.357 -8.141 1.330) 9.836 5.691 ( -6.350 -10.254 6.461) 13.683 5.691 ( 6.350 -10.254 6.461) 13.683 5.852 ( -2.764 0.431 -1.520) 3.184 5.852 ( 2.764 0.431 -1.520) 3.184 6.001 ( -4.446 -1.375 -2.618) 5.339 6.001 ( 4.446 -1.375 -2.618) 5.339 6.284 ( -13.181 0.911 5.719) 14.397 6.284 ( 13.181 0.911 5.719) 14.397 6.454 ( -8.191 4.469 -8.207) 12.427 6.454 ( 8.191 4.469 -8.207) 12.427 6.885 ( -1.081 -3.406 2.406) 4.308 6.885 ( 1.081 -3.406 2.406) 4.308 7.443 ( -3.455 3.817 -6.255) 8.101 7.443 ( 3.455 3.817 -6.255) 8.101 8.068 ( -1.957 -4.474 1.501) 5.109 8.068 ( 1.957 -4.474 1.501) 5.109 8.701 ( -0.204 -3.026 0.681) 3.109 8.701 ( 0.204 -3.026 0.681) 3.109 8.967 ( -1.684 5.786 -0.290) 6.033 8.967 ( 1.684 5.786 -0.290) 6.033 9.309 ( -0.166 -5.943 -0.172) 5.947 9.309 ( 0.166 -5.943 -0.172) 5.947 9.872 ( -0.955 13.192 0.693) 13.245 9.872 ( 0.955 13.192 0.693) 13.245 10.500 ( -2.162 -8.659 1.365) 9.029 10.500 ( 2.162 -8.659 1.365) 9.029 10.637 ( -0.217 -4.389 -1.916) 4.794 10.637 ( 0.217 -4.389 -1.916) 4.794 10.829 ( -1.135 0.639 -0.457) 1.381 10.829 ( 1.135 0.639 -0.457) 1.381 12.107 ( -4.580 8.203 4.378) 10.365 12.107 ( 4.580 8.203 4.378) 10.365 12.204 ( -4.790 12.769 -4.630) 14.403 12.204 ( 4.790 12.769 -4.630) 14.403 14.195 ( -3.661 -5.451 -0.968) 6.637 14.195 ( 3.661 -5.451 -0.968) 6.637 14.433 ( -2.528 -4.778 -1.466) 5.600 14.433 ( 2.528 -4.778 -1.466) 5.600 ======================= Grid point 333 (111/120) ======================= q-point: ( 0.00 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 0.000 -3.183 6.902) 7.601 3.115 ( 0.000 -1.210 4.931) 5.077 3.708 ( 0.000 4.623 13.422) 14.196 3.868 ( 0.000 10.112 0.530) 10.126 4.053 ( 0.000 -0.141 -3.603) 3.606 4.134 ( 0.000 5.294 -9.046) 10.482 4.326 ( 0.000 6.046 5.781) 8.365 4.486 ( 0.000 5.279 -8.109) 9.676 4.907 ( 0.000 5.338 9.754) 11.119 5.006 ( 0.000 -1.824 -0.573) 1.912 5.407 ( 0.000 -4.086 8.258) 9.214 5.441 ( 0.000 -1.183 7.333) 7.428 5.867 ( 0.000 -3.910 -2.506) 4.644 5.983 ( 0.000 -12.506 -4.831) 13.407 6.131 ( 0.000 -3.927 12.203) 12.819 6.299 ( 0.000 -11.058 -2.967) 11.449 6.307 ( 0.000 -6.032 -7.023) 9.258 6.415 ( 0.000 -5.352 -8.085) 9.696 6.650 ( 0.000 2.518 -2.339) 3.437 6.687 ( 0.000 -1.185 -8.402) 8.485 7.328 ( 0.000 -7.848 5.641) 9.666 7.399 ( 0.000 -6.771 0.249) 6.776 7.683 ( 0.000 8.669 4.630) 9.828 7.831 ( 0.000 11.457 -8.111) 14.038 8.132 ( 0.000 1.960 9.125) 9.333 8.251 ( 0.000 2.811 -2.458) 3.734 8.421 ( 0.000 -0.260 12.347) 12.350 8.510 ( 0.000 2.553 2.446) 3.536 8.596 ( 0.000 4.104 -4.980) 6.453 8.679 ( 0.000 0.951 -11.324) 11.363 9.029 ( 0.000 -5.691 5.398) 7.844 9.181 ( 0.000 -5.496 -8.566) 10.178 9.714 ( 0.000 0.559 0.505) 0.754 9.758 ( 0.000 2.476 -3.319) 4.141 10.147 ( 0.000 -6.436 1.233) 6.553 10.240 ( 0.000 -4.242 -6.358) 7.643 10.737 ( 0.000 5.813 2.465) 6.314 10.793 ( 0.000 5.206 -2.594) 5.816 11.046 ( 0.000 3.953 2.376) 4.613 11.078 ( 0.000 2.244 -0.590) 2.320 11.759 ( 0.000 7.870 10.810) 13.371 11.993 ( 0.000 8.830 -11.348) 14.379 12.457 ( 0.000 7.562 2.739) 8.042 12.473 ( 0.000 1.516 1.251) 1.965 13.872 ( 0.000 -3.310 4.091) 5.263 13.990 ( 0.000 -7.438 -7.339) 10.450 14.678 ( 0.000 -3.621 0.189) 3.626 14.697 ( 0.000 -3.194 -1.381) 3.480 ======================= Grid point 334 (112/120) ======================= q-point: ( 0.12 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -8.540 0.988 11.369) 14.253 3.117 ( -3.231 -3.922 -2.805) 5.804 3.670 ( -0.874 9.479 15.765) 18.416 3.953 ( 2.033 9.009 -10.017) 13.625 4.043 ( 3.257 -1.963 5.825) 6.956 4.171 ( 0.186 2.396 -5.277) 5.799 4.329 ( 1.185 6.415 3.243) 7.285 4.456 ( -2.589 6.678 -7.093) 10.080 4.975 ( 6.615 2.082 8.081) 10.648 5.062 ( 5.482 -4.524 -0.096) 7.108 5.438 ( 2.701 -1.991 8.512) 9.149 5.473 ( 3.520 -0.412 5.381) 6.444 5.816 ( -5.178 -2.881 1.936) 6.234 5.970 ( -1.598 -13.168 -1.734) 13.377 6.077 ( -6.393 -4.972 7.027) 10.722 6.172 ( -8.502 -6.472 -8.620) 13.729 6.270 ( -1.380 -7.942 -3.120) 8.643 6.404 ( -1.878 -6.107 -9.125) 11.140 6.710 ( 2.724 1.998 -3.210) 4.660 6.719 ( 3.711 2.552 -3.796) 5.890 7.334 ( -2.811 -5.268 4.903) 7.727 7.387 ( -6.800 -8.057 0.919) 10.583 7.543 ( -3.704 3.338 4.146) 6.485 7.640 ( -16.755 3.361 -5.716) 18.019 7.999 ( -5.494 8.884 6.703) 12.412 8.147 ( -8.833 6.058 -7.216) 12.915 8.573 ( 8.029 4.526 4.690) 10.341 8.606 ( 9.273 1.389 9.231) 13.157 8.668 ( 7.142 -0.924 -3.000) 7.802 8.812 ( 7.119 -1.374 -8.139) 10.901 9.049 ( 2.412 -4.851 4.460) 7.017 9.182 ( 0.329 -3.722 -7.636) 8.501 9.772 ( 5.436 1.195 0.505) 5.589 9.814 ( 5.380 3.183 -3.065) 6.962 10.181 ( 3.431 -6.594 0.622) 7.459 10.259 ( 2.074 -4.335 -5.553) 7.344 10.698 ( -3.657 5.159 2.733) 6.889 10.762 ( -3.184 4.018 -3.167) 6.026 11.007 ( -3.681 2.894 1.993) 5.089 11.026 ( -4.563 1.590 0.261) 4.839 11.832 ( 6.728 8.641 9.823) 14.711 12.047 ( 5.204 9.707 -10.602) 15.288 12.470 ( 1.046 8.706 3.250) 9.352 12.498 ( 2.240 3.112 0.607) 3.882 13.878 ( 0.668 -4.118 3.780) 5.630 13.994 ( 0.567 -7.768 -7.467) 10.790 14.628 ( -4.826 -3.813 0.732) 6.194 14.659 ( -3.835 -3.721 -1.945) 5.686 ======================= Grid point 335 (113/120) ======================= q-point: ( 0.25 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -4.061 3.899 12.393) 13.611 3.040 ( -2.787 -2.528 -7.813) 8.672 3.668 ( -1.391 7.935 13.152) 15.423 3.879 ( -8.135 2.483 -6.601) 10.766 4.086 ( -6.282 5.125 5.015) 9.533 4.167 ( 5.106 4.536 -1.031) 6.907 4.367 ( 0.950 5.372 0.016) 5.455 4.434 ( 2.486 9.846 -4.400) 11.067 5.132 ( 8.127 -7.678 5.226) 12.341 5.208 ( 8.508 -9.017 -0.604) 12.412 5.496 ( 2.458 -3.063 7.585) 8.542 5.551 ( 0.490 2.205 3.447) 4.121 5.725 ( 1.406 -2.647 5.529) 6.289 5.891 ( -7.003 -7.574 -1.049) 10.369 5.930 ( -4.966 -11.672 6.818) 14.401 6.062 ( -2.990 -3.388 -11.271) 12.143 6.284 ( 1.922 -3.360 -3.590) 5.279 6.324 ( -5.904 -5.648 -6.037) 10.159 6.742 ( 1.601 4.379 0.912) 4.751 6.803 ( 3.729 3.290 -2.939) 5.776 7.008 ( -19.522 2.829 5.490) 20.476 7.184 ( -18.876 0.933 -9.938) 21.353 7.449 ( -0.305 -8.253 7.452) 11.124 7.577 ( 0.647 -8.361 -3.866) 9.234 7.947 ( 0.285 8.703 2.634) 9.098 8.009 ( -3.669 9.065 -3.532) 10.398 8.691 ( 1.915 -3.773 3.376) 5.414 8.735 ( -1.396 -7.188 0.371) 7.332 8.804 ( 10.439 6.096 3.970) 12.724 8.918 ( 5.518 5.462 -4.839) 9.149 9.123 ( 4.291 -4.087 2.427) 6.404 9.206 ( 2.005 -1.561 -5.083) 5.683 9.901 ( 7.118 3.174 1.221) 7.889 9.947 ( 7.378 4.853 -2.651) 9.221 10.269 ( 4.572 -5.437 0.308) 7.110 10.330 ( 5.316 -6.105 -4.343) 9.187 10.610 ( -4.895 3.197 2.285) 6.277 10.669 ( -6.059 2.022 -3.109) 7.104 10.911 ( -5.541 0.014 2.264) 5.986 10.932 ( -4.659 0.139 0.083) 4.661 11.996 ( 9.342 10.202 8.397) 16.182 12.179 ( 7.642 11.209 -8.987) 16.273 12.486 ( 0.237 11.298 4.347) 12.108 12.543 ( 1.899 6.873 -1.049) 7.207 13.903 ( 2.026 -5.854 3.167) 6.957 14.017 ( 1.894 -8.263 -7.806) 11.524 14.499 ( -7.851 -4.756 1.772) 9.349 14.552 ( -6.710 -4.944 -3.030) 8.868 ======================= Grid point 336 (114/120) ======================= q-point: ( 0.38 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 6.293 5.343 10.066) 13.019 3.049 ( 3.616 0.224 -9.204) 9.892 3.521 ( -13.018 0.239 7.148) 14.853 3.647 ( -14.006 -0.794 -4.473) 14.724 4.036 ( 1.711 12.847 8.226) 15.350 4.178 ( -2.847 11.369 -5.091) 12.778 4.432 ( 5.173 8.760 4.757) 11.230 4.503 ( 2.756 9.795 -1.347) 10.264 5.273 ( 5.904 -15.879 4.819) 17.614 5.346 ( 4.304 -15.631 -1.666) 16.298 5.465 ( -3.102 -6.972 3.576) 8.428 5.514 ( -2.842 -11.417 0.027) 11.765 5.826 ( 1.742 -2.674 3.096) 4.446 5.864 ( 0.047 -2.161 6.094) 6.465 5.896 ( 7.274 -1.045 2.106) 7.644 6.019 ( -0.803 -1.145 -7.180) 7.314 6.185 ( -4.907 -1.665 5.972) 7.907 6.358 ( 4.671 -1.437 -9.921) 11.060 6.648 ( -15.001 2.245 2.941) 15.450 6.781 ( -3.828 9.111 -1.060) 9.939 6.831 ( -6.719 -2.578 -4.833) 8.669 6.864 ( -2.158 3.530 -2.341) 4.753 7.442 ( -0.429 -5.340 2.197) 5.791 7.528 ( -4.348 -6.764 -5.531) 9.760 7.998 ( 3.782 4.667 1.122) 6.110 8.012 ( 2.634 6.472 -0.143) 6.988 8.651 ( -4.019 -6.421 1.427) 7.708 8.660 ( -4.669 -6.654 0.342) 8.136 8.991 ( 7.878 5.617 2.395) 9.967 9.042 ( 5.670 6.655 -1.997) 8.969 9.191 ( 2.339 -3.410 1.086) 4.275 9.237 ( 0.603 -1.526 -2.992) 3.412 10.043 ( 7.095 7.005 1.801) 10.132 10.086 ( 6.437 8.329 -1.916) 10.699 10.328 ( 0.797 -3.364 2.414) 4.217 10.433 ( 2.015 -6.131 -6.948) 9.483 10.520 ( -3.130 -0.423 2.136) 3.813 10.557 ( -3.172 -1.561 -1.121) 3.708 10.814 ( -3.747 -2.866 2.453) 5.317 10.844 ( -4.087 -2.710 -0.680) 4.951 12.180 ( 8.776 11.588 7.113) 16.183 12.320 ( 5.469 11.552 -5.554) 13.936 12.475 ( -0.805 13.874 3.820) 14.413 12.556 ( -0.934 10.776 -3.028) 11.232 13.964 ( 4.295 -6.878 2.295) 8.427 14.066 ( 2.504 -7.713 -7.421) 10.992 14.342 ( -7.089 -6.682 2.382) 10.029 14.409 ( -7.303 -6.691 -3.946) 10.662 ======================= Grid point 337 (115/120) ======================= q-point: (-0.50 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -9.526 5.481 2.393) 11.248 3.038 ( 9.526 5.481 2.393) 11.248 3.399 ( -7.191 -3.531 -2.232) 8.317 3.399 ( 7.191 -3.531 -2.232) 8.317 4.104 ( -4.152 14.215 2.429) 15.006 4.104 ( 4.152 14.215 2.429) 15.006 4.512 ( -2.080 10.685 2.680) 11.210 4.512 ( 2.080 10.685 2.680) 11.210 5.357 ( -2.498 -19.469 2.238) 19.756 5.357 ( 2.498 -19.469 2.238) 19.756 5.458 ( -1.722 -12.793 -1.908) 13.048 5.458 ( 1.722 -12.793 -1.908) 13.048 5.871 ( -2.579 0.775 3.240) 4.212 5.871 ( 2.579 0.775 3.240) 4.212 5.963 ( -5.554 -2.346 4.153) 7.321 5.963 ( 5.554 -2.346 4.153) 7.321 6.305 ( -12.599 2.481 -0.128) 12.842 6.305 ( 12.599 2.481 -0.128) 12.842 6.558 ( -9.008 1.750 -8.538) 12.534 6.558 ( 9.008 1.750 -8.538) 12.534 6.851 ( -1.738 3.099 1.891) 4.025 6.851 ( 1.738 3.099 1.891) 4.025 7.456 ( -2.274 -4.446 -2.936) 5.792 7.456 ( 2.274 -4.446 -2.936) 5.792 8.047 ( -0.266 4.234 0.433) 4.264 8.047 ( 0.266 4.234 0.433) 4.264 8.602 ( -0.198 -6.498 0.771) 6.547 8.602 ( 0.198 -6.498 0.771) 6.547 9.090 ( -1.555 5.209 0.570) 5.466 9.090 ( 1.555 5.209 0.570) 5.466 9.225 ( -1.467 -2.177 -1.114) 2.851 9.225 ( 1.467 -2.177 -1.114) 2.851 10.151 ( -2.066 12.531 1.254) 12.762 10.151 ( 2.066 12.531 1.254) 12.762 10.349 ( -4.381 -4.414 -2.150) 6.580 10.349 ( 4.381 -4.414 -2.150) 6.580 10.539 ( -0.845 -4.948 -0.058) 5.020 10.539 ( 0.845 -4.948 -0.058) 5.020 10.785 ( -1.196 -4.476 0.468) 4.656 10.785 ( 1.196 -4.476 0.468) 4.656 12.322 ( -4.979 11.873 4.564) 13.659 12.322 ( 4.979 11.873 4.564) 13.659 12.507 ( -3.502 13.563 -3.493) 14.437 12.507 ( 3.502 13.563 -3.493) 14.437 14.059 ( -4.091 -6.414 -1.197) 7.701 14.059 ( 4.091 -6.414 -1.197) 7.701 14.292 ( -3.160 -8.366 -2.278) 9.228 14.292 ( 3.160 -8.366 -2.278) 9.228 ======================= Grid point 342 (116/120) ======================= q-point: ( 0.00 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 0.000 0.829 4.165) 4.247 3.103 ( 0.000 -0.640 1.801) 1.911 3.804 ( 0.000 5.129 17.433) 18.171 3.931 ( 0.000 -6.018 12.317) 13.709 4.138 ( 0.000 10.536 -9.228) 14.005 4.230 ( 0.000 2.938 -12.703) 13.038 4.402 ( 0.000 0.390 0.426) 0.578 4.462 ( 0.000 -5.969 -3.007) 6.684 5.072 ( 0.000 7.142 4.051) 8.211 5.079 ( 0.000 8.415 2.885) 8.896 5.373 ( 0.000 -0.235 13.338) 13.340 5.406 ( 0.000 -2.962 10.868) 11.264 5.706 ( 0.000 -10.052 -3.478) 10.637 5.706 ( 0.000 -8.209 -7.895) 11.389 6.088 ( 0.000 -0.300 5.912) 5.919 6.129 ( 0.000 -4.711 2.442) 5.307 6.226 ( 0.000 -0.555 -8.522) 8.540 6.289 ( 0.000 -5.716 -10.945) 12.348 6.729 ( 0.000 3.224 -3.460) 4.729 6.733 ( 0.000 3.380 -3.324) 4.740 7.205 ( 0.000 -2.912 2.629) 3.923 7.244 ( 0.000 -6.111 -0.744) 6.156 7.875 ( 0.000 7.976 7.103) 10.680 7.974 ( 0.000 0.044 -0.006) 0.045 8.216 ( 0.000 7.589 4.297) 8.721 8.301 ( 0.000 2.138 -0.808) 2.285 8.370 ( 0.000 -3.030 2.337) 3.826 8.412 ( 0.000 -8.209 -3.032) 8.751 8.708 ( 0.000 5.203 -0.691) 5.249 8.763 ( 0.000 1.828 -5.380) 5.682 8.967 ( 0.000 1.157 3.203) 3.406 9.061 ( 0.000 -5.876 -5.444) 8.010 9.739 ( 0.000 1.930 0.968) 2.159 9.780 ( 0.000 -1.041 -2.236) 2.466 10.085 ( 0.000 0.902 -1.412) 1.675 10.150 ( 0.000 -4.204 -6.609) 7.833 10.846 ( 0.000 3.971 1.685) 4.313 10.872 ( 0.000 1.777 -0.719) 1.917 11.073 ( 0.000 -0.271 1.490) 1.514 11.079 ( 0.000 -1.039 1.006) 1.446 12.013 ( 0.000 14.378 9.913) 17.464 12.194 ( 0.000 4.607 -5.560) 7.221 12.408 ( 0.000 -3.093 2.626) 4.058 12.497 ( 0.000 -4.064 -3.880) 5.619 13.840 ( 0.000 0.081 0.667) 0.671 13.871 ( 0.000 -3.327 -2.597) 4.221 14.622 ( 0.000 -1.195 -1.115) 1.634 14.636 ( 0.000 -2.220 -2.205) 3.129 ======================= Grid point 343 (117/120) ======================= q-point: ( 0.12 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( -5.371 2.878 5.407) 8.147 3.064 ( -3.747 -1.890 0.356) 4.212 3.818 ( 0.573 5.200 14.493) 15.408 3.935 ( -1.022 -6.134 7.924) 10.073 4.181 ( 5.036 10.812 -6.191) 13.438 4.245 ( 1.102 4.037 -7.995) 9.024 4.405 ( 0.359 0.188 1.152) 1.222 4.488 ( 2.870 -5.429 -4.961) 7.894 5.017 ( -3.842 5.776 6.985) 9.844 5.089 ( 0.218 3.344 0.260) 3.361 5.405 ( 2.041 -1.130 13.624) 13.822 5.474 ( 6.754 -3.335 10.829) 13.191 5.677 ( -0.887 -4.002 -4.814) 6.323 5.755 ( 2.049 -6.872 -6.868) 9.929 5.989 ( -9.831 -2.446 1.673) 10.268 6.018 ( -9.288 -5.691 -2.172) 11.107 6.196 ( -0.247 0.749 -3.096) 3.194 6.270 ( -1.130 -5.795 -7.766) 9.756 6.806 ( 5.480 5.104 -2.494) 7.893 6.819 ( 6.374 4.399 -3.287) 8.413 7.205 ( 0.212 -4.554 2.657) 5.277 7.227 ( -2.379 -6.219 0.525) 6.679 7.627 ( -18.099 3.470 2.446) 18.591 7.670 ( -21.535 -0.473 -1.522) 21.594 8.197 ( -2.725 8.955 3.427) 9.968 8.270 ( -5.322 4.034 -3.286) 7.442 8.492 ( 7.957 -5.126 4.401) 10.439 8.530 ( 6.399 -6.252 0.883) 8.990 8.762 ( 5.641 5.239 0.769) 7.737 8.832 ( 6.174 -0.522 -4.702) 7.779 9.023 ( 5.264 2.752 2.228) 6.344 9.105 ( 3.942 -3.894 -5.021) 7.478 9.802 ( 5.918 1.953 0.826) 6.286 9.844 ( 6.098 -1.019 -2.539) 6.684 10.111 ( 2.660 0.490 -1.237) 2.974 10.170 ( 2.029 -4.056 -5.998) 7.519 10.793 ( -4.908 3.409 1.629) 6.194 10.820 ( -4.855 1.029 -0.888) 5.042 11.026 ( -4.691 -0.093 1.560) 4.944 11.032 ( -4.436 -0.552 1.017) 4.584 12.084 ( 6.726 13.696 9.194) 17.814 12.250 ( 5.366 4.386 -5.100) 8.605 12.465 ( 5.264 -2.151 2.321) 6.143 12.538 ( 3.747 -2.671 -2.944) 5.463 13.834 ( -0.529 -0.160 0.447) 0.711 13.867 ( -0.223 -3.715 -3.031) 4.800 14.570 ( -5.223 -1.206 -0.948) 5.444 14.587 ( -4.806 -2.632 -2.455) 6.005 ======================= Grid point 344 (118/120) ======================= q-point: ( 0.25 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -2.182 4.700 5.596) 7.626 2.999 ( -1.536 -2.183 -1.449) 3.037 3.768 ( -7.101 2.849 6.744) 10.199 3.842 ( -8.956 -4.082 0.391) 9.850 4.276 ( 3.072 10.259 3.194) 11.176 4.333 ( 8.897 10.704 -2.120) 14.080 4.429 ( 2.764 -0.241 4.023) 4.887 4.585 ( 6.872 -2.652 -9.022) 11.646 4.943 ( -3.479 -0.809 9.289) 9.952 5.080 ( -1.364 -6.494 -3.147) 7.344 5.428 ( -1.794 -0.720 12.182) 12.334 5.538 ( -8.197 -8.709 6.016) 13.388 5.661 ( 3.580 2.351 5.153) 6.700 5.755 ( -3.510 -5.478 -2.242) 6.881 5.828 ( 2.308 3.208 -4.340) 5.870 5.952 ( 2.906 -6.900 -13.768) 15.672 6.206 ( 0.494 -1.175 1.628) 2.067 6.236 ( -2.273 -3.374 -0.182) 4.072 6.877 ( 0.641 6.211 -0.192) 6.247 6.908 ( 0.061 3.895 -2.772) 4.781 7.085 ( -10.686 5.023 4.021) 12.474 7.203 ( -5.171 -1.227 -4.542) 6.991 7.274 ( -11.905 -4.564 2.214) 12.941 7.376 ( -5.757 -9.308 -5.029) 12.045 8.143 ( -1.613 7.951 2.252) 8.420 8.177 ( -2.899 5.331 -0.960) 6.144 8.564 ( -0.354 -5.261 1.813) 5.576 8.580 ( -1.261 -6.282 0.159) 6.409 8.919 ( 9.204 4.303 2.464) 10.454 8.977 ( 7.930 -1.040 -2.573) 8.402 9.128 ( 4.194 3.620 1.812) 5.829 9.184 ( 3.264 -1.324 -3.004) 4.629 9.949 ( 8.612 2.345 0.361) 8.933 9.999 ( 9.062 -0.875 -3.726) 9.837 10.194 ( 5.746 -0.637 -0.783) 5.834 10.231 ( 4.193 -3.260 -3.885) 6.581 10.676 ( -6.473 2.605 1.489) 7.135 10.701 ( -6.760 0.410 -0.784) 6.817 10.902 ( -7.502 -0.121 1.867) 7.732 10.916 ( -6.996 -1.192 0.550) 7.118 12.251 ( 9.541 12.533 7.732) 17.547 12.386 ( 7.804 4.402 -4.163) 9.880 12.584 ( 5.870 -0.374 1.761) 6.140 12.620 ( 3.960 0.584 -0.781) 4.079 13.831 ( 0.671 -0.597 0.010) 0.898 13.874 ( 1.275 -4.659 -4.206) 6.405 14.426 ( -9.051 -1.449 -0.595) 9.185 14.454 ( -8.426 -3.756 -3.087) 9.728 ======================= Grid point 345 (119/120) ======================= q-point: ( 0.38 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 6.882 5.466 4.216) 9.748 3.045 ( 6.623 -1.542 -3.086) 7.467 3.533 ( -15.544 1.438 2.683) 15.840 3.592 ( -15.441 -3.661 -2.626) 16.085 4.365 ( 5.155 16.693 6.986) 18.816 4.440 ( 2.281 13.862 -0.261) 14.051 4.574 ( 10.314 1.545 6.386) 12.229 4.741 ( 7.734 7.297 -7.808) 13.191 4.881 ( -2.229 -14.928 9.034) 17.590 5.038 ( -2.650 -12.629 -5.115) 13.881 5.282 ( -10.605 -7.458 2.482) 13.200 5.307 ( -11.373 -8.048 -1.614) 14.026 5.758 ( 5.634 -1.429 11.459) 12.849 5.780 ( 5.944 -2.715 7.536) 9.974 5.963 ( 2.653 2.523 -6.855) 7.771 5.997 ( 0.061 -1.136 -7.818) 7.901 6.187 ( 2.689 2.759 6.484) 7.542 6.282 ( 7.211 -5.234 -2.131) 9.162 6.696 ( -15.187 2.930 -1.827) 15.574 6.765 ( -13.040 -3.407 -5.784) 14.667 7.010 ( -0.049 11.890 0.269) 11.893 7.049 ( -1.579 11.948 -2.556) 12.320 7.256 ( 0.865 -11.069 1.525) 11.207 7.312 ( -2.230 -12.383 -3.643) 13.099 8.159 ( 3.119 7.853 1.210) 8.536 8.175 ( 2.386 6.780 -0.212) 7.190 8.503 ( -4.915 -6.356 0.586) 8.056 8.508 ( -5.214 -6.598 -0.005) 8.410 9.082 ( 6.627 2.859 1.623) 7.398 9.117 ( 5.715 -0.466 -1.625) 5.960 9.178 ( 1.108 2.624 1.660) 3.296 9.219 ( 0.333 -0.862 -1.746) 1.975 10.132 ( 9.658 2.924 0.140) 10.092 10.181 ( 9.119 0.046 -4.021) 9.966 10.317 ( 5.363 0.325 -0.366) 5.385 10.334 ( 6.005 -2.033 -1.635) 6.547 10.547 ( -6.466 2.326 1.322) 6.997 10.565 ( -6.606 1.474 -0.297) 6.775 10.745 ( -7.873 -2.439 2.226) 8.538 10.768 ( -7.619 -3.819 -0.100) 8.523 12.436 ( 8.624 11.377 5.998) 15.485 12.532 ( 6.154 5.799 -2.711) 8.879 12.657 ( 1.093 2.183 2.470) 3.473 12.681 ( 1.909 1.828 -0.102) 2.645 13.878 ( 4.410 -0.515 -0.382) 4.456 13.930 ( 4.534 -4.768 -5.315) 8.458 14.230 ( -10.180 -2.507 -0.220) 10.486 14.270 ( -9.686 -5.577 -3.896) 11.836 ======================= Grid point 346 (120/120) ======================= q-point: (-0.50 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( -8.217 6.781 0.617) 10.672 3.170 ( 8.217 6.781 0.617) 10.672 3.305 ( -7.616 -5.667 -1.412) 9.597 3.305 ( 7.616 -5.667 -1.412) 9.597 4.444 ( -2.175 18.406 3.469) 18.856 4.444 ( 2.175 18.406 3.469) 18.856 4.749 ( -6.204 4.641 8.827) 11.745 4.749 ( 6.204 4.641 8.827) 11.745 4.955 ( -6.981 -11.237 -6.184) 14.603 4.955 ( 6.981 -11.237 -6.184) 14.603 5.158 ( -1.460 -15.301 -2.585) 15.586 5.158 ( 1.460 -15.301 -2.585) 15.586 5.885 ( -6.016 0.907 6.242) 8.717 5.885 ( 6.016 0.907 6.242) 8.717 5.916 ( -6.340 -1.998 6.634) 9.392 5.916 ( 6.340 -1.998 6.634) 9.392 6.389 ( -12.628 5.076 -4.268) 14.263 6.389 ( 12.628 5.076 -4.268) 14.263 6.501 ( -11.151 -5.144 -6.727) 14.002 6.501 ( 11.151 -5.144 -6.727) 14.002 7.029 ( -1.224 11.600 -0.100) 11.665 7.029 ( 1.224 11.600 -0.100) 11.665 7.276 ( -1.373 -11.251 -1.207) 11.399 7.276 ( 1.374 -11.251 -1.207) 11.399 8.217 ( -0.489 10.349 0.072) 10.361 8.217 ( 0.489 10.349 0.072) 10.361 8.432 ( -0.159 -9.568 0.468) 9.581 8.432 ( 0.159 -9.568 0.468) 9.581 9.168 ( -2.033 2.342 0.616) 3.162 9.168 ( 2.033 2.342 0.616) 3.162 9.199 ( -2.336 -0.911 -0.947) 2.681 9.199 ( 2.336 -0.911 -0.947) 2.681 10.303 ( -5.086 2.514 -0.284) 5.680 10.303 ( 5.086 2.514 -0.284) 5.680 10.359 ( -4.932 0.177 -2.567) 5.563 10.359 ( 4.932 0.177 -2.567) 5.563 10.489 ( -1.729 4.703 1.371) 5.195 10.489 ( 1.729 4.703 1.371) 5.195 10.654 ( -1.504 -7.849 0.828) 8.034 10.654 ( 1.504 -7.849 0.828) 8.034 12.566 ( -3.695 10.180 3.033) 11.247 12.566 ( 3.695 10.180 3.033) 11.247 12.677 ( -1.817 1.215 -0.007) 2.186 12.677 ( 1.817 1.215 -0.007) 2.186 13.991 ( -4.331 1.243 -2.351) 5.082 13.991 ( 4.331 1.243 -2.351) 5.082 14.107 ( -3.945 -8.507 -2.930) 9.824 14.107 ( 3.945 -8.507 -2.930) 9.824 =================== 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 3/29568 10.0 7312.920 13249.072 10182.821 0.000 0.000 -0.000 3/29568 20.0 1079.466 1301.504 867.907 0.000 0.000 -0.000 3/29568 30.0 319.134 341.782 199.407 0.000 0.000 -0.000 3/29568 40.0 138.241 145.866 82.915 0.000 0.000 -0.000 3/29568 50.0 76.024 80.677 46.195 0.000 0.000 -0.000 3/29568 60.0 48.676 51.944 30.247 0.000 0.000 -0.000 3/29568 70.0 34.503 36.854 21.850 0.000 0.000 -0.000 3/29568 80.0 26.240 27.944 16.840 0.000 0.000 -0.000 3/29568 90.0 20.983 22.228 13.584 0.000 0.000 -0.000 3/29568 100.0 17.407 18.327 11.331 0.000 0.000 -0.000 3/29568 110.0 14.846 15.532 9.696 0.000 0.000 -0.000 3/29568 120.0 12.933 13.453 8.465 0.000 0.000 -0.000 3/29568 130.0 11.456 11.855 7.508 0.000 0.000 -0.000 3/29568 140.0 10.285 10.595 6.747 0.000 0.000 -0.000 3/29568 150.0 9.335 9.579 6.127 0.000 0.000 -0.000 3/29568 160.0 8.550 8.744 5.614 0.000 0.000 -0.000 3/29568 170.0 7.890 8.047 5.182 0.000 0.000 -0.000 3/29568 180.0 7.328 7.456 4.814 0.000 0.000 -0.000 3/29568 190.0 6.843 6.949 4.497 0.000 0.000 -0.000 3/29568 200.0 6.421 6.509 4.220 0.000 0.000 -0.000 3/29568 210.0 6.050 6.124 3.977 0.000 0.000 -0.000 3/29568 220.0 5.721 5.783 3.761 0.000 0.000 -0.000 3/29568 230.0 5.427 5.481 3.568 0.000 0.000 -0.000 3/29568 240.0 5.163 5.210 3.395 0.000 0.000 -0.000 3/29568 250.0 4.925 4.965 3.239 0.000 0.000 -0.000 3/29568 260.0 4.708 4.743 3.097 0.000 0.000 -0.000 3/29568 270.0 4.510 4.542 2.967 0.000 0.000 -0.000 3/29568 280.0 4.329 4.357 2.849 0.000 0.000 -0.000 3/29568 290.0 4.163 4.187 2.739 0.000 0.000 -0.000 3/29568 300.0 4.009 4.031 2.638 0.000 0.000 -0.000 3/29568 310.0 3.866 3.886 2.545 0.000 0.000 -0.000 3/29568 320.0 3.734 3.752 2.458 0.000 0.000 -0.000 3/29568 330.0 3.610 3.627 2.377 0.000 0.000 -0.000 3/29568 340.0 3.495 3.511 2.301 0.000 0.000 -0.000 3/29568 350.0 3.387 3.401 2.230 0.000 0.000 -0.000 3/29568 360.0 3.286 3.299 2.164 0.000 0.000 -0.000 3/29568 370.0 3.191 3.203 2.101 0.000 0.000 -0.000 3/29568 380.0 3.101 3.112 2.042 0.000 0.000 -0.000 3/29568 390.0 3.016 3.027 1.987 0.000 0.000 -0.000 3/29568 400.0 2.936 2.946 1.934 0.000 0.000 -0.000 3/29568 410.0 2.860 2.870 1.884 0.000 0.000 -0.000 3/29568 420.0 2.788 2.797 1.837 0.000 0.000 -0.000 3/29568 430.0 2.720 2.729 1.792 0.000 0.000 -0.000 3/29568 440.0 2.655 2.663 1.749 0.000 0.000 -0.000 3/29568 450.0 2.593 2.601 1.709 0.000 0.000 -0.000 3/29568 460.0 2.534 2.541 1.670 0.000 0.000 -0.000 3/29568 470.0 2.478 2.485 1.633 0.000 0.000 -0.000 3/29568 480.0 2.424 2.431 1.597 0.000 0.000 -0.000 3/29568 490.0 2.372 2.379 1.564 0.000 0.000 -0.000 3/29568 500.0 2.323 2.329 1.531 0.000 0.000 -0.000 3/29568 510.0 2.276 2.282 1.500 0.000 0.000 -0.000 3/29568 520.0 2.230 2.236 1.470 0.000 0.000 -0.000 3/29568 530.0 2.187 2.192 1.441 0.000 0.000 -0.000 3/29568 540.0 2.145 2.150 1.414 0.000 0.000 -0.000 3/29568 550.0 2.105 2.110 1.387 0.000 0.000 -0.000 3/29568 560.0 2.066 2.071 1.362 0.000 0.000 -0.000 3/29568 570.0 2.028 2.033 1.337 0.000 0.000 -0.000 3/29568 580.0 1.992 1.997 1.314 0.000 0.000 -0.000 3/29568 590.0 1.958 1.962 1.291 0.000 0.000 -0.000 3/29568 600.0 1.924 1.929 1.269 0.000 0.000 -0.000 3/29568 610.0 1.892 1.896 1.247 0.000 0.000 -0.000 3/29568 620.0 1.860 1.865 1.227 0.000 0.000 -0.000 3/29568 630.0 1.830 1.834 1.207 0.000 0.000 -0.000 3/29568 640.0 1.801 1.805 1.187 0.000 0.000 -0.000 3/29568 650.0 1.772 1.777 1.169 0.000 0.000 -0.000 3/29568 660.0 1.745 1.749 1.151 0.000 0.000 -0.000 3/29568 670.0 1.718 1.722 1.133 0.000 0.000 -0.000 3/29568 680.0 1.693 1.696 1.116 0.000 0.000 -0.000 3/29568 690.0 1.668 1.671 1.100 0.000 0.000 -0.000 3/29568 700.0 1.643 1.647 1.084 0.000 0.000 -0.000 3/29568 710.0 1.620 1.623 1.068 0.000 0.000 -0.000 3/29568 720.0 1.597 1.600 1.053 0.000 0.000 -0.000 3/29568 730.0 1.574 1.578 1.038 0.000 0.000 -0.000 3/29568 740.0 1.553 1.556 1.024 0.000 0.000 -0.000 3/29568 750.0 1.532 1.535 1.010 0.000 0.000 -0.000 3/29568 760.0 1.511 1.514 0.997 0.000 0.000 -0.000 3/29568 770.0 1.491 1.494 0.984 0.000 0.000 -0.000 3/29568 780.0 1.472 1.475 0.971 0.000 0.000 -0.000 3/29568 790.0 1.453 1.456 0.958 0.000 0.000 -0.000 3/29568 800.0 1.434 1.437 0.946 0.000 0.000 -0.000 3/29568 810.0 1.416 1.419 0.934 0.000 0.000 -0.000 3/29568 820.0 1.399 1.402 0.923 0.000 0.000 -0.000 3/29568 830.0 1.382 1.385 0.911 0.000 0.000 -0.000 3/29568 840.0 1.365 1.368 0.900 0.000 0.000 -0.000 3/29568 850.0 1.349 1.352 0.890 0.000 0.000 -0.000 3/29568 860.0 1.333 1.336 0.879 0.000 0.000 -0.000 3/29568 870.0 1.317 1.320 0.869 0.000 0.000 -0.000 3/29568 880.0 1.302 1.305 0.859 0.000 0.000 -0.000 3/29568 890.0 1.287 1.290 0.849 0.000 0.000 -0.000 3/29568 900.0 1.273 1.276 0.840 0.000 0.000 -0.000 3/29568 910.0 1.259 1.261 0.830 0.000 0.000 -0.000 3/29568 920.0 1.245 1.247 0.821 0.000 0.000 -0.000 3/29568 930.0 1.231 1.234 0.812 0.000 0.000 -0.000 3/29568 940.0 1.218 1.221 0.804 0.000 0.000 -0.000 3/29568 950.0 1.205 1.208 0.795 0.000 0.000 -0.000 3/29568 960.0 1.193 1.195 0.787 0.000 0.000 -0.000 3/29568 970.0 1.180 1.182 0.778 0.000 0.000 -0.000 3/29568 980.0 1.168 1.170 0.770 0.000 0.000 -0.000 3/29568 990.0 1.156 1.158 0.763 0.000 0.000 -0.000 3/29568 1000.0 1.144 1.147 0.755 0.000 0.000 -0.000 3/29568 Thermal conductivity related properties were written into "kappa-m8711.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:12:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|