----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:39:48]------------------------- 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: [1 4 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 13.243397790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.889876610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.158911990000000 Atomic positions (fractional): *1 Dy 0.63247220635423 0.25000000000000 0.99638862331517 162.500 2 Dy 0.86752779364577 0.75000000000000 0.49638862331518 162.500 3 Dy 0.36752779364577 0.75000000000000 0.00361137668483 162.500 4 Dy 0.13247220635423 0.25000000000000 0.50361137668483 162.500 *5 Cu 0.45876458474974 0.25000000000000 0.36959074918526 63.546 6 Cu 0.54123541525026 0.75000000000000 0.63040925081474 63.546 7 Cu 0.95876458474974 0.25000000000000 0.13040925081474 63.546 8 Cu 0.04123541525026 0.75000000000000 0.86959074918526 63.546 *9 S 0.54187547694951 0.75000000000000 0.25000183664528 32.065 *10 S 0.70328950049563 0.75000000000000 0.75230227179009 32.065 11 S 0.45812452305049 0.25000000000000 0.74999816335472 32.065 12 S 0.04187547694951 0.75000000000000 0.24999816335472 32.065 13 S 0.29671049950437 0.25000000000000 0.24769772820991 32.065 14 S 0.95812452305049 0.25000000000000 0.75000183664528 32.065 15 S 0.79671049950437 0.25000000000000 0.25230227179009 32.065 16 S 0.20328950049563 0.75000000000000 0.74769772820991 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.243397790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.889876610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.158911990000000 Atomic positions (fractional): *1 Dy 0.63247220635423 0.25000000000000 0.99638862331517 162.500 > 1 2 Dy 0.86752779364577 0.75000000000000 0.49638862331518 162.500 > 2 3 Dy 0.36752779364577 0.75000000000000 0.00361137668483 162.500 > 3 4 Dy 0.13247220635423 0.25000000000000 0.50361137668483 162.500 > 4 *5 Cu 0.45876458474974 0.25000000000000 0.36959074918526 63.546 > 5 6 Cu 0.54123541525026 0.75000000000000 0.63040925081474 63.546 > 6 7 Cu 0.95876458474974 0.25000000000000 0.13040925081474 63.546 > 7 8 Cu 0.04123541525026 0.75000000000000 0.86959074918526 63.546 > 8 *9 S 0.54187547694951 0.75000000000000 0.25000183664528 32.065 > 9 *10 S 0.70328950049563 0.75000000000000 0.75230227179009 32.065 > 10 11 S 0.45812452305049 0.25000000000000 0.74999816335472 32.065 > 11 12 S 0.04187547694951 0.75000000000000 0.24999816335472 32.065 > 12 13 S 0.29671049950437 0.25000000000000 0.24769772820991 32.065 > 13 14 S 0.95812452305049 0.25000000000000 0.75000183664528 32.065 > 14 15 S 0.79671049950437 0.25000000000000 0.25230227179009 32.065 > 15 16 S 0.20328950049563 0.75000000000000 0.74769772820991 32.065 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.243397790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.559506440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.317823980000000 Atomic positions (fractional): *1 Dy 0.63247220635423 0.06250000000000 0.49819431165759 162.500 > 1 2 Dy 0.63247220635423 0.31250000000000 0.49819431165759 162.500 > 1 3 Dy 0.63247220635423 0.56250000000000 0.49819431165759 162.500 > 1 4 Dy 0.63247220635423 0.81250000000000 0.49819431165759 162.500 > 1 5 Dy 0.63247220635423 0.06250000000000 0.99819431165759 162.500 > 1 6 Dy 0.63247220635423 0.31250000000000 0.99819431165759 162.500 > 1 7 Dy 0.63247220635423 0.56250000000000 0.99819431165759 162.500 > 1 8 Dy 0.63247220635423 0.81250000000000 0.99819431165759 162.500 > 1 9 Dy 0.86752779364577 0.18750000000000 0.24819431165759 162.500 > 2 10 Dy 0.86752779364577 0.43750000000000 0.24819431165759 162.500 > 2 11 Dy 0.86752779364577 0.68750000000000 0.24819431165759 162.500 > 2 12 Dy 0.86752779364577 0.93750000000000 0.24819431165759 162.500 > 2 13 Dy 0.86752779364577 0.18750000000000 0.74819431165759 162.500 > 2 14 Dy 0.86752779364577 0.43750000000000 0.74819431165759 162.500 > 2 15 Dy 0.86752779364577 0.68750000000000 0.74819431165759 162.500 > 2 16 Dy 0.86752779364577 0.93750000000000 0.74819431165759 162.500 > 2 17 Dy 0.36752779364577 0.18750000000000 0.00180568834241 162.500 > 3 18 Dy 0.36752779364577 0.43750000000000 0.00180568834241 162.500 > 3 19 Dy 0.36752779364577 0.68750000000000 0.00180568834241 162.500 > 3 20 Dy 0.36752779364577 0.93750000000000 0.00180568834241 162.500 > 3 21 Dy 0.36752779364577 0.18750000000000 0.50180568834241 162.500 > 3 22 Dy 0.36752779364577 0.43750000000000 0.50180568834241 162.500 > 3 23 Dy 0.36752779364577 0.68750000000000 0.50180568834241 162.500 > 3 24 Dy 0.36752779364577 0.93750000000000 0.50180568834241 162.500 > 3 25 Dy 0.13247220635423 0.06250000000000 0.25180568834241 162.500 > 4 26 Dy 0.13247220635423 0.31250000000000 0.25180568834241 162.500 > 4 27 Dy 0.13247220635423 0.56250000000000 0.25180568834241 162.500 > 4 28 Dy 0.13247220635423 0.81250000000000 0.25180568834241 162.500 > 4 29 Dy 0.13247220635423 0.06250000000000 0.75180568834241 162.500 > 4 30 Dy 0.13247220635423 0.31250000000000 0.75180568834241 162.500 > 4 31 Dy 0.13247220635423 0.56250000000000 0.75180568834241 162.500 > 4 32 Dy 0.13247220635423 0.81250000000000 0.75180568834241 162.500 > 4 *33 Cu 0.45876458474974 0.06250000000000 0.18479537459263 63.546 > 5 34 Cu 0.45876458474974 0.31250000000000 0.18479537459263 63.546 > 5 35 Cu 0.45876458474974 0.56250000000000 0.18479537459263 63.546 > 5 36 Cu 0.45876458474974 0.81250000000000 0.18479537459263 63.546 > 5 37 Cu 0.45876458474974 0.06250000000000 0.68479537459263 63.546 > 5 38 Cu 0.45876458474974 0.31250000000000 0.68479537459263 63.546 > 5 39 Cu 0.45876458474974 0.56250000000000 0.68479537459263 63.546 > 5 40 Cu 0.45876458474974 0.81250000000000 0.68479537459263 63.546 > 5 41 Cu 0.54123541525026 0.18750000000000 0.31520462540737 63.546 > 6 42 Cu 0.54123541525026 0.43750000000000 0.31520462540737 63.546 > 6 43 Cu 0.54123541525026 0.68750000000000 0.31520462540737 63.546 > 6 44 Cu 0.54123541525026 0.93750000000000 0.31520462540737 63.546 > 6 45 Cu 0.54123541525026 0.18750000000000 0.81520462540737 63.546 > 6 46 Cu 0.54123541525026 0.43750000000000 0.81520462540737 63.546 > 6 47 Cu 0.54123541525026 0.68750000000000 0.81520462540737 63.546 > 6 48 Cu 0.54123541525026 0.93750000000000 0.81520462540737 63.546 > 6 49 Cu 0.95876458474974 0.06250000000000 0.06520462540737 63.546 > 7 50 Cu 0.95876458474974 0.31250000000000 0.06520462540737 63.546 > 7 51 Cu 0.95876458474974 0.56250000000000 0.06520462540737 63.546 > 7 52 Cu 0.95876458474974 0.81250000000000 0.06520462540737 63.546 > 7 53 Cu 0.95876458474974 0.06250000000000 0.56520462540737 63.546 > 7 54 Cu 0.95876458474974 0.31250000000000 0.56520462540737 63.546 > 7 55 Cu 0.95876458474974 0.56250000000000 0.56520462540737 63.546 > 7 56 Cu 0.95876458474974 0.81250000000000 0.56520462540737 63.546 > 7 57 Cu 0.04123541525026 0.18750000000000 0.43479537459263 63.546 > 8 58 Cu 0.04123541525026 0.43750000000000 0.43479537459263 63.546 > 8 59 Cu 0.04123541525026 0.68750000000000 0.43479537459263 63.546 > 8 60 Cu 0.04123541525026 0.93750000000000 0.43479537459263 63.546 > 8 61 Cu 0.04123541525026 0.18750000000000 0.93479537459263 63.546 > 8 62 Cu 0.04123541525026 0.43750000000000 0.93479537459263 63.546 > 8 63 Cu 0.04123541525026 0.68750000000000 0.93479537459263 63.546 > 8 64 Cu 0.04123541525026 0.93750000000000 0.93479537459263 63.546 > 8 *65 S 0.54187547694951 0.18750000000000 0.12500091832264 32.065 > 9 66 S 0.54187547694951 0.43750000000000 0.12500091832264 32.065 > 9 67 S 0.54187547694951 0.68750000000000 0.12500091832264 32.065 > 9 68 S 0.54187547694951 0.93750000000000 0.12500091832264 32.065 > 9 69 S 0.54187547694951 0.18750000000000 0.62500091832264 32.065 > 9 70 S 0.54187547694951 0.43750000000000 0.62500091832264 32.065 > 9 71 S 0.54187547694951 0.68750000000000 0.62500091832264 32.065 > 9 72 S 0.54187547694951 0.93750000000000 0.62500091832264 32.065 > 9 *73 S 0.70328950049563 0.18750000000000 0.37615113589505 32.065 > 10 74 S 0.70328950049563 0.43750000000000 0.37615113589505 32.065 > 10 75 S 0.70328950049563 0.68750000000000 0.37615113589505 32.065 > 10 76 S 0.70328950049563 0.93750000000000 0.37615113589505 32.065 > 10 77 S 0.70328950049563 0.18750000000000 0.87615113589505 32.065 > 10 78 S 0.70328950049563 0.43750000000000 0.87615113589505 32.065 > 10 79 S 0.70328950049563 0.68750000000000 0.87615113589505 32.065 > 10 80 S 0.70328950049563 0.93750000000000 0.87615113589505 32.065 > 10 81 S 0.45812452305049 0.06250000000000 0.37499908167736 32.065 > 11 82 S 0.45812452305049 0.31250000000000 0.37499908167736 32.065 > 11 83 S 0.45812452305049 0.56250000000000 0.37499908167736 32.065 > 11 84 S 0.45812452305049 0.81250000000000 0.37499908167736 32.065 > 11 85 S 0.45812452305049 0.06250000000000 0.87499908167736 32.065 > 11 86 S 0.45812452305049 0.31250000000000 0.87499908167736 32.065 > 11 87 S 0.45812452305049 0.56250000000000 0.87499908167736 32.065 > 11 88 S 0.45812452305049 0.81250000000000 0.87499908167736 32.065 > 11 89 S 0.04187547694951 0.18750000000000 0.12499908167736 32.065 > 12 90 S 0.04187547694951 0.43750000000000 0.12499908167736 32.065 > 12 91 S 0.04187547694951 0.68750000000000 0.12499908167736 32.065 > 12 92 S 0.04187547694951 0.93750000000000 0.12499908167736 32.065 > 12 93 S 0.04187547694951 0.18750000000000 0.62499908167736 32.065 > 12 94 S 0.04187547694951 0.43750000000000 0.62499908167736 32.065 > 12 95 S 0.04187547694951 0.68750000000000 0.62499908167736 32.065 > 12 96 S 0.04187547694951 0.93750000000000 0.62499908167736 32.065 > 12 97 S 0.29671049950437 0.06250000000000 0.12384886410495 32.065 > 13 98 S 0.29671049950437 0.31250000000000 0.12384886410495 32.065 > 13 99 S 0.29671049950437 0.56250000000000 0.12384886410495 32.065 > 13 100 S 0.29671049950437 0.81250000000000 0.12384886410495 32.065 > 13 101 S 0.29671049950437 0.06250000000000 0.62384886410495 32.065 > 13 102 S 0.29671049950437 0.31250000000000 0.62384886410495 32.065 > 13 103 S 0.29671049950437 0.56250000000000 0.62384886410495 32.065 > 13 104 S 0.29671049950437 0.81250000000000 0.62384886410495 32.065 > 13 105 S 0.95812452305049 0.06250000000000 0.37500091832264 32.065 > 14 106 S 0.95812452305049 0.31250000000000 0.37500091832264 32.065 > 14 107 S 0.95812452305049 0.56250000000000 0.37500091832264 32.065 > 14 108 S 0.95812452305049 0.81250000000000 0.37500091832264 32.065 > 14 109 S 0.95812452305049 0.06250000000000 0.87500091832264 32.065 > 14 110 S 0.95812452305049 0.31250000000000 0.87500091832264 32.065 > 14 111 S 0.95812452305049 0.56250000000000 0.87500091832264 32.065 > 14 112 S 0.95812452305049 0.81250000000000 0.87500091832264 32.065 > 14 113 S 0.79671049950437 0.06250000000000 0.12615113589505 32.065 > 15 114 S 0.79671049950437 0.31250000000000 0.12615113589505 32.065 > 15 115 S 0.79671049950437 0.56250000000000 0.12615113589505 32.065 > 15 116 S 0.79671049950437 0.81250000000000 0.12615113589505 32.065 > 15 117 S 0.79671049950437 0.06250000000000 0.62615113589505 32.065 > 15 118 S 0.79671049950437 0.31250000000000 0.62615113589505 32.065 > 15 119 S 0.79671049950437 0.56250000000000 0.62615113589505 32.065 > 15 120 S 0.79671049950437 0.81250000000000 0.62615113589505 32.065 > 15 121 S 0.20328950049563 0.18750000000000 0.37384886410495 32.065 > 16 122 S 0.20328950049563 0.43750000000000 0.37384886410495 32.065 > 16 123 S 0.20328950049563 0.68750000000000 0.37384886410495 32.065 > 16 124 S 0.20328950049563 0.93750000000000 0.37384886410495 32.065 > 16 125 S 0.20328950049563 0.18750000000000 0.87384886410495 32.065 > 16 126 S 0.20328950049563 0.43750000000000 0.87384886410495 32.065 > 16 127 S 0.20328950049563 0.68750000000000 0.87384886410495 32.065 > 16 128 S 0.20328950049563 0.93750000000000 0.87384886410495 32.065 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6449006 0.0000000 0.0000000 0.0000000 9.8205207 0.0000000 0.0000000 0.0000000 8.9627833 -------------------------- Born effective charges -------------------------- 1 Dy 4.1351380 0.0000000 0.2366897 0.0000000 4.7933847 0.0000000 0.4125942 0.0000000 4.0121681 2 Dy 4.1351380 0.0000000 -0.2366897 0.0000000 4.7933847 0.0000000 -0.4125942 0.0000000 4.0121681 3 Dy 4.1351380 0.0000000 0.2366897 0.0000000 4.7933847 0.0000000 0.4125942 0.0000000 4.0121681 4 Dy 4.1351380 0.0000000 -0.2366897 0.0000000 4.7933847 0.0000000 -0.4125942 0.0000000 4.0121681 5 Cu 0.4872919 0.0000000 0.0502455 0.0000000 0.8344532 0.0000000 0.1239316 0.0000000 0.6806031 6 Cu 0.4872919 0.0000000 0.0502455 0.0000000 0.8344532 0.0000000 0.1239316 0.0000000 0.6806031 7 Cu 0.4872919 0.0000000 -0.0502455 0.0000000 0.8344532 0.0000000 -0.1239316 0.0000000 0.6806031 8 Cu 0.4872919 0.0000000 -0.0502455 0.0000000 0.8344532 0.0000000 -0.1239316 0.0000000 0.6806031 9 S -1.9689887 0.0000000 0.2847804 0.0000000 -2.9618797 0.0000000 0.0550312 0.0000000 -2.3159560 10 S -2.6534413 0.0000000 1.1174200 0.0000000 -2.6659582 0.0000000 1.0539755 0.0000000 -2.3768152 11 S -1.9689887 0.0000000 0.2847804 0.0000000 -2.9618797 0.0000000 0.0550312 0.0000000 -2.3159560 12 S -1.9689887 0.0000000 -0.2847804 0.0000000 -2.9618797 0.0000000 -0.0550312 0.0000000 -2.3159560 13 S -2.6534413 0.0000000 1.1174200 0.0000000 -2.6659582 0.0000000 1.0539755 0.0000000 -2.3768152 14 S -1.9689887 0.0000000 -0.2847804 0.0000000 -2.9618797 0.0000000 -0.0550312 0.0000000 -2.3159560 15 S -2.6534413 0.0000000 -1.1174200 0.0000000 -2.6659582 0.0000000 -1.0539755 0.0000000 -2.3768152 16 S -2.6534413 0.0000000 -1.1174200 0.0000000 -2.6659582 0.0000000 -1.0539755 0.0000000 -2.3768152 ---------------------------------------------------------------------------- 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: 1280 Number of blocks in projector: 1280 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.832 Solver_block: 200 / 240 - Time: 1.791 Solver_block: 240 / 240 - Time: 0.801 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.552 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 1280 Number of blocks in projector: 1280 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:40:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:40:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.243397790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.889876610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.158911990000000 Atomic positions (fractional): 1 Dy 0.63247220635423 0.25000000000000 0.99638862331517 162.500 2 Dy 0.86752779364577 0.75000000000000 0.49638862331518 162.500 3 Dy 0.36752779364577 0.75000000000000 0.00361137668483 162.500 4 Dy 0.13247220635423 0.25000000000000 0.50361137668483 162.500 5 Cu 0.45876458474974 0.25000000000000 0.36959074918526 63.546 6 Cu 0.54123541525026 0.75000000000000 0.63040925081474 63.546 7 Cu 0.95876458474974 0.25000000000000 0.13040925081474 63.546 8 Cu 0.04123541525026 0.75000000000000 0.86959074918526 63.546 9 S 0.54187547694951 0.75000000000000 0.25000183664528 32.065 10 S 0.70328950049563 0.75000000000000 0.75230227179009 32.065 11 S 0.45812452305049 0.25000000000000 0.74999816335472 32.065 12 S 0.04187547694951 0.75000000000000 0.24999816335472 32.065 13 S 0.29671049950437 0.25000000000000 0.24769772820991 32.065 14 S 0.95812452305049 0.25000000000000 0.75000183664528 32.065 15 S 0.79671049950437 0.25000000000000 0.25230227179009 32.065 16 S 0.20328950049563 0.75000000000000 0.74769772820991 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.243397790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.559506440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.317823980000000 Atomic positions (fractional): 1 Dy 0.63247220635423 0.06250000000000 0.49819431165759 162.500 > 1 2 Dy 0.63247220635423 0.31250000000000 0.49819431165759 162.500 > 1 3 Dy 0.63247220635423 0.56250000000000 0.49819431165759 162.500 > 1 4 Dy 0.63247220635423 0.81250000000000 0.49819431165759 162.500 > 1 5 Dy 0.63247220635423 0.06250000000000 0.99819431165759 162.500 > 1 6 Dy 0.63247220635423 0.31250000000000 0.99819431165759 162.500 > 1 7 Dy 0.63247220635423 0.56250000000000 0.99819431165759 162.500 > 1 8 Dy 0.63247220635423 0.81250000000000 0.99819431165759 162.500 > 1 9 Dy 0.86752779364577 0.18750000000000 0.24819431165759 162.500 > 9 10 Dy 0.86752779364577 0.43750000000000 0.24819431165759 162.500 > 9 11 Dy 0.86752779364577 0.68750000000000 0.24819431165759 162.500 > 9 12 Dy 0.86752779364577 0.93750000000000 0.24819431165759 162.500 > 9 13 Dy 0.86752779364577 0.18750000000000 0.74819431165759 162.500 > 9 14 Dy 0.86752779364577 0.43750000000000 0.74819431165759 162.500 > 9 15 Dy 0.86752779364577 0.68750000000000 0.74819431165759 162.500 > 9 16 Dy 0.86752779364577 0.93750000000000 0.74819431165759 162.500 > 9 17 Dy 0.36752779364577 0.18750000000000 0.00180568834241 162.500 > 17 18 Dy 0.36752779364577 0.43750000000000 0.00180568834241 162.500 > 17 19 Dy 0.36752779364577 0.68750000000000 0.00180568834241 162.500 > 17 20 Dy 0.36752779364577 0.93750000000000 0.00180568834241 162.500 > 17 21 Dy 0.36752779364577 0.18750000000000 0.50180568834241 162.500 > 17 22 Dy 0.36752779364577 0.43750000000000 0.50180568834241 162.500 > 17 23 Dy 0.36752779364577 0.68750000000000 0.50180568834241 162.500 > 17 24 Dy 0.36752779364577 0.93750000000000 0.50180568834241 162.500 > 17 25 Dy 0.13247220635423 0.06250000000000 0.25180568834241 162.500 > 25 26 Dy 0.13247220635423 0.31250000000000 0.25180568834241 162.500 > 25 27 Dy 0.13247220635423 0.56250000000000 0.25180568834241 162.500 > 25 28 Dy 0.13247220635423 0.81250000000000 0.25180568834241 162.500 > 25 29 Dy 0.13247220635423 0.06250000000000 0.75180568834241 162.500 > 25 30 Dy 0.13247220635423 0.31250000000000 0.75180568834241 162.500 > 25 31 Dy 0.13247220635423 0.56250000000000 0.75180568834241 162.500 > 25 32 Dy 0.13247220635423 0.81250000000000 0.75180568834241 162.500 > 25 33 Cu 0.45876458474974 0.06250000000000 0.18479537459263 63.546 > 33 34 Cu 0.45876458474974 0.31250000000000 0.18479537459263 63.546 > 33 35 Cu 0.45876458474974 0.56250000000000 0.18479537459263 63.546 > 33 36 Cu 0.45876458474974 0.81250000000000 0.18479537459263 63.546 > 33 37 Cu 0.45876458474974 0.06250000000000 0.68479537459263 63.546 > 33 38 Cu 0.45876458474974 0.31250000000000 0.68479537459263 63.546 > 33 39 Cu 0.45876458474974 0.56250000000000 0.68479537459263 63.546 > 33 40 Cu 0.45876458474974 0.81250000000000 0.68479537459263 63.546 > 33 41 Cu 0.54123541525026 0.18750000000000 0.31520462540737 63.546 > 41 42 Cu 0.54123541525026 0.43750000000000 0.31520462540737 63.546 > 41 43 Cu 0.54123541525026 0.68750000000000 0.31520462540737 63.546 > 41 44 Cu 0.54123541525026 0.93750000000000 0.31520462540737 63.546 > 41 45 Cu 0.54123541525026 0.18750000000000 0.81520462540737 63.546 > 41 46 Cu 0.54123541525026 0.43750000000000 0.81520462540737 63.546 > 41 47 Cu 0.54123541525026 0.68750000000000 0.81520462540737 63.546 > 41 48 Cu 0.54123541525026 0.93750000000000 0.81520462540737 63.546 > 41 49 Cu 0.95876458474974 0.06250000000000 0.06520462540737 63.546 > 49 50 Cu 0.95876458474974 0.31250000000000 0.06520462540737 63.546 > 49 51 Cu 0.95876458474974 0.56250000000000 0.06520462540737 63.546 > 49 52 Cu 0.95876458474974 0.81250000000000 0.06520462540737 63.546 > 49 53 Cu 0.95876458474974 0.06250000000000 0.56520462540737 63.546 > 49 54 Cu 0.95876458474974 0.31250000000000 0.56520462540737 63.546 > 49 55 Cu 0.95876458474974 0.56250000000000 0.56520462540737 63.546 > 49 56 Cu 0.95876458474974 0.81250000000000 0.56520462540737 63.546 > 49 57 Cu 0.04123541525026 0.18750000000000 0.43479537459263 63.546 > 57 58 Cu 0.04123541525026 0.43750000000000 0.43479537459263 63.546 > 57 59 Cu 0.04123541525026 0.68750000000000 0.43479537459263 63.546 > 57 60 Cu 0.04123541525026 0.93750000000000 0.43479537459263 63.546 > 57 61 Cu 0.04123541525026 0.18750000000000 0.93479537459263 63.546 > 57 62 Cu 0.04123541525026 0.43750000000000 0.93479537459263 63.546 > 57 63 Cu 0.04123541525026 0.68750000000000 0.93479537459263 63.546 > 57 64 Cu 0.04123541525026 0.93750000000000 0.93479537459263 63.546 > 57 65 S 0.54187547694951 0.18750000000000 0.12500091832264 32.065 > 65 66 S 0.54187547694951 0.43750000000000 0.12500091832264 32.065 > 65 67 S 0.54187547694951 0.68750000000000 0.12500091832264 32.065 > 65 68 S 0.54187547694951 0.93750000000000 0.12500091832264 32.065 > 65 69 S 0.54187547694951 0.18750000000000 0.62500091832264 32.065 > 65 70 S 0.54187547694951 0.43750000000000 0.62500091832264 32.065 > 65 71 S 0.54187547694951 0.68750000000000 0.62500091832264 32.065 > 65 72 S 0.54187547694951 0.93750000000000 0.62500091832264 32.065 > 65 73 S 0.70328950049563 0.18750000000000 0.37615113589505 32.065 > 73 74 S 0.70328950049563 0.43750000000000 0.37615113589505 32.065 > 73 75 S 0.70328950049563 0.68750000000000 0.37615113589505 32.065 > 73 76 S 0.70328950049563 0.93750000000000 0.37615113589505 32.065 > 73 77 S 0.70328950049563 0.18750000000000 0.87615113589505 32.065 > 73 78 S 0.70328950049563 0.43750000000000 0.87615113589505 32.065 > 73 79 S 0.70328950049563 0.68750000000000 0.87615113589505 32.065 > 73 80 S 0.70328950049563 0.93750000000000 0.87615113589505 32.065 > 73 81 S 0.45812452305049 0.06250000000000 0.37499908167736 32.065 > 81 82 S 0.45812452305049 0.31250000000000 0.37499908167736 32.065 > 81 83 S 0.45812452305049 0.56250000000000 0.37499908167736 32.065 > 81 84 S 0.45812452305049 0.81250000000000 0.37499908167736 32.065 > 81 85 S 0.45812452305049 0.06250000000000 0.87499908167736 32.065 > 81 86 S 0.45812452305049 0.31250000000000 0.87499908167736 32.065 > 81 87 S 0.45812452305049 0.56250000000000 0.87499908167736 32.065 > 81 88 S 0.45812452305049 0.81250000000000 0.87499908167736 32.065 > 81 89 S 0.04187547694951 0.18750000000000 0.12499908167736 32.065 > 89 90 S 0.04187547694951 0.43750000000000 0.12499908167736 32.065 > 89 91 S 0.04187547694951 0.68750000000000 0.12499908167736 32.065 > 89 92 S 0.04187547694951 0.93750000000000 0.12499908167736 32.065 > 89 93 S 0.04187547694951 0.18750000000000 0.62499908167736 32.065 > 89 94 S 0.04187547694951 0.43750000000000 0.62499908167736 32.065 > 89 95 S 0.04187547694951 0.68750000000000 0.62499908167736 32.065 > 89 96 S 0.04187547694951 0.93750000000000 0.62499908167736 32.065 > 89 97 S 0.29671049950437 0.06250000000000 0.12384886410495 32.065 > 97 98 S 0.29671049950437 0.31250000000000 0.12384886410495 32.065 > 97 99 S 0.29671049950437 0.56250000000000 0.12384886410495 32.065 > 97 100 S 0.29671049950437 0.81250000000000 0.12384886410495 32.065 > 97 101 S 0.29671049950437 0.06250000000000 0.62384886410495 32.065 > 97 102 S 0.29671049950437 0.31250000000000 0.62384886410495 32.065 > 97 103 S 0.29671049950437 0.56250000000000 0.62384886410495 32.065 > 97 104 S 0.29671049950437 0.81250000000000 0.62384886410495 32.065 > 97 105 S 0.95812452305049 0.06250000000000 0.37500091832264 32.065 > 105 106 S 0.95812452305049 0.31250000000000 0.37500091832264 32.065 > 105 107 S 0.95812452305049 0.56250000000000 0.37500091832264 32.065 > 105 108 S 0.95812452305049 0.81250000000000 0.37500091832264 32.065 > 105 109 S 0.95812452305049 0.06250000000000 0.87500091832264 32.065 > 105 110 S 0.95812452305049 0.31250000000000 0.87500091832264 32.065 > 105 111 S 0.95812452305049 0.56250000000000 0.87500091832264 32.065 > 105 112 S 0.95812452305049 0.81250000000000 0.87500091832264 32.065 > 105 113 S 0.79671049950437 0.06250000000000 0.12615113589505 32.065 > 113 114 S 0.79671049950437 0.31250000000000 0.12615113589505 32.065 > 113 115 S 0.79671049950437 0.56250000000000 0.12615113589505 32.065 > 113 116 S 0.79671049950437 0.81250000000000 0.12615113589505 32.065 > 113 117 S 0.79671049950437 0.06250000000000 0.62615113589505 32.065 > 113 118 S 0.79671049950437 0.31250000000000 0.62615113589505 32.065 > 113 119 S 0.79671049950437 0.56250000000000 0.62615113589505 32.065 > 113 120 S 0.79671049950437 0.81250000000000 0.62615113589505 32.065 > 113 121 S 0.20328950049563 0.18750000000000 0.37384886410495 32.065 > 121 122 S 0.20328950049563 0.43750000000000 0.37384886410495 32.065 > 121 123 S 0.20328950049563 0.68750000000000 0.37384886410495 32.065 > 121 124 S 0.20328950049563 0.93750000000000 0.37384886410495 32.065 > 121 125 S 0.20328950049563 0.18750000000000 0.87384886410495 32.065 > 121 126 S 0.20328950049563 0.43750000000000 0.87384886410495 32.065 > 121 127 S 0.20328950049563 0.68750000000000 0.87384886410495 32.065 > 121 128 S 0.20328950049563 0.93750000000000 0.87384886410495 32.065 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6449006 0.0000000 0.0000000 0.0000000 9.8205207 0.0000000 0.0000000 0.0000000 8.9627833 -------------------------- Born effective charges -------------------------- 1 Dy 4.1351380 0.0000000 0.2366897 0.0000000 4.7933847 0.0000000 0.4125942 0.0000000 4.0121681 2 Dy 4.1351380 0.0000000 -0.2366897 0.0000000 4.7933847 0.0000000 -0.4125942 0.0000000 4.0121681 3 Dy 4.1351380 0.0000000 0.2366897 0.0000000 4.7933847 0.0000000 0.4125942 0.0000000 4.0121681 4 Dy 4.1351380 0.0000000 -0.2366897 0.0000000 4.7933847 0.0000000 -0.4125942 0.0000000 4.0121681 5 Cu 0.4872919 0.0000000 0.0502455 0.0000000 0.8344532 0.0000000 0.1239316 0.0000000 0.6806031 6 Cu 0.4872919 0.0000000 0.0502455 0.0000000 0.8344532 0.0000000 0.1239316 0.0000000 0.6806031 7 Cu 0.4872919 0.0000000 -0.0502455 0.0000000 0.8344532 0.0000000 -0.1239316 0.0000000 0.6806031 8 Cu 0.4872919 0.0000000 -0.0502455 0.0000000 0.8344532 0.0000000 -0.1239316 0.0000000 0.6806031 9 S -1.9689887 0.0000000 0.2847804 0.0000000 -2.9618797 0.0000000 0.0550312 0.0000000 -2.3159560 10 S -2.6534413 0.0000000 1.1174200 0.0000000 -2.6659582 0.0000000 1.0539755 0.0000000 -2.3768152 11 S -1.9689887 0.0000000 0.2847804 0.0000000 -2.9618797 0.0000000 0.0550312 0.0000000 -2.3159560 12 S -1.9689887 0.0000000 -0.2847804 0.0000000 -2.9618797 0.0000000 -0.0550312 0.0000000 -2.3159560 13 S -2.6534413 0.0000000 1.1174200 0.0000000 -2.6659582 0.0000000 1.0539755 0.0000000 -2.3768152 14 S -1.9689887 0.0000000 -0.2847804 0.0000000 -2.9618797 0.0000000 -0.0550312 0.0000000 -2.3159560 15 S -2.6534413 0.0000000 -1.1174200 0.0000000 -2.6659582 0.0000000 -1.0539755 0.0000000 -2.3768152 16 S -2.6534413 0.0000000 -1.1174200 0.0000000 -2.6659582 0.0000000 -1.0539755 0.0000000 -2.3768152 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:40:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:40:28]------------------------- 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): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.243397790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.889876610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.158911990000000 Atomic positions (fractional): 1 Dy 0.63247220635423 0.25000000000000 0.99638862331517 162.500 2 Dy 0.86752779364577 0.75000000000000 0.49638862331518 162.500 3 Dy 0.36752779364577 0.75000000000000 0.00361137668483 162.500 4 Dy 0.13247220635423 0.25000000000000 0.50361137668483 162.500 5 Cu 0.45876458474974 0.25000000000000 0.36959074918526 63.546 6 Cu 0.54123541525026 0.75000000000000 0.63040925081474 63.546 7 Cu 0.95876458474974 0.25000000000000 0.13040925081474 63.546 8 Cu 0.04123541525026 0.75000000000000 0.86959074918526 63.546 9 S 0.54187547694951 0.75000000000000 0.25000183664528 32.065 10 S 0.70328950049563 0.75000000000000 0.75230227179009 32.065 11 S 0.45812452305049 0.25000000000000 0.74999816335472 32.065 12 S 0.04187547694951 0.75000000000000 0.24999816335472 32.065 13 S 0.29671049950437 0.25000000000000 0.24769772820991 32.065 14 S 0.95812452305049 0.25000000000000 0.75000183664528 32.065 15 S 0.79671049950437 0.25000000000000 0.25230227179009 32.065 16 S 0.20328950049563 0.75000000000000 0.74769772820991 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.243397790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.559506440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.317823980000000 Atomic positions (fractional): 1 Dy 0.63247220635423 0.06250000000000 0.49819431165759 162.500 > 1 2 Dy 0.63247220635423 0.31250000000000 0.49819431165759 162.500 > 1 3 Dy 0.63247220635423 0.56250000000000 0.49819431165759 162.500 > 1 4 Dy 0.63247220635423 0.81250000000000 0.49819431165759 162.500 > 1 5 Dy 0.63247220635423 0.06250000000000 0.99819431165759 162.500 > 1 6 Dy 0.63247220635423 0.31250000000000 0.99819431165759 162.500 > 1 7 Dy 0.63247220635423 0.56250000000000 0.99819431165759 162.500 > 1 8 Dy 0.63247220635423 0.81250000000000 0.99819431165759 162.500 > 1 9 Dy 0.86752779364577 0.18750000000000 0.24819431165759 162.500 > 9 10 Dy 0.86752779364577 0.43750000000000 0.24819431165759 162.500 > 9 11 Dy 0.86752779364577 0.68750000000000 0.24819431165759 162.500 > 9 12 Dy 0.86752779364577 0.93750000000000 0.24819431165759 162.500 > 9 13 Dy 0.86752779364577 0.18750000000000 0.74819431165759 162.500 > 9 14 Dy 0.86752779364577 0.43750000000000 0.74819431165759 162.500 > 9 15 Dy 0.86752779364577 0.68750000000000 0.74819431165759 162.500 > 9 16 Dy 0.86752779364577 0.93750000000000 0.74819431165759 162.500 > 9 17 Dy 0.36752779364577 0.18750000000000 0.00180568834241 162.500 > 17 18 Dy 0.36752779364577 0.43750000000000 0.00180568834241 162.500 > 17 19 Dy 0.36752779364577 0.68750000000000 0.00180568834241 162.500 > 17 20 Dy 0.36752779364577 0.93750000000000 0.00180568834241 162.500 > 17 21 Dy 0.36752779364577 0.18750000000000 0.50180568834241 162.500 > 17 22 Dy 0.36752779364577 0.43750000000000 0.50180568834241 162.500 > 17 23 Dy 0.36752779364577 0.68750000000000 0.50180568834241 162.500 > 17 24 Dy 0.36752779364577 0.93750000000000 0.50180568834241 162.500 > 17 25 Dy 0.13247220635423 0.06250000000000 0.25180568834241 162.500 > 25 26 Dy 0.13247220635423 0.31250000000000 0.25180568834241 162.500 > 25 27 Dy 0.13247220635423 0.56250000000000 0.25180568834241 162.500 > 25 28 Dy 0.13247220635423 0.81250000000000 0.25180568834241 162.500 > 25 29 Dy 0.13247220635423 0.06250000000000 0.75180568834241 162.500 > 25 30 Dy 0.13247220635423 0.31250000000000 0.75180568834241 162.500 > 25 31 Dy 0.13247220635423 0.56250000000000 0.75180568834241 162.500 > 25 32 Dy 0.13247220635423 0.81250000000000 0.75180568834241 162.500 > 25 33 Cu 0.45876458474974 0.06250000000000 0.18479537459263 63.546 > 33 34 Cu 0.45876458474974 0.31250000000000 0.18479537459263 63.546 > 33 35 Cu 0.45876458474974 0.56250000000000 0.18479537459263 63.546 > 33 36 Cu 0.45876458474974 0.81250000000000 0.18479537459263 63.546 > 33 37 Cu 0.45876458474974 0.06250000000000 0.68479537459263 63.546 > 33 38 Cu 0.45876458474974 0.31250000000000 0.68479537459263 63.546 > 33 39 Cu 0.45876458474974 0.56250000000000 0.68479537459263 63.546 > 33 40 Cu 0.45876458474974 0.81250000000000 0.68479537459263 63.546 > 33 41 Cu 0.54123541525026 0.18750000000000 0.31520462540737 63.546 > 41 42 Cu 0.54123541525026 0.43750000000000 0.31520462540737 63.546 > 41 43 Cu 0.54123541525026 0.68750000000000 0.31520462540737 63.546 > 41 44 Cu 0.54123541525026 0.93750000000000 0.31520462540737 63.546 > 41 45 Cu 0.54123541525026 0.18750000000000 0.81520462540737 63.546 > 41 46 Cu 0.54123541525026 0.43750000000000 0.81520462540737 63.546 > 41 47 Cu 0.54123541525026 0.68750000000000 0.81520462540737 63.546 > 41 48 Cu 0.54123541525026 0.93750000000000 0.81520462540737 63.546 > 41 49 Cu 0.95876458474974 0.06250000000000 0.06520462540737 63.546 > 49 50 Cu 0.95876458474974 0.31250000000000 0.06520462540737 63.546 > 49 51 Cu 0.95876458474974 0.56250000000000 0.06520462540737 63.546 > 49 52 Cu 0.95876458474974 0.81250000000000 0.06520462540737 63.546 > 49 53 Cu 0.95876458474974 0.06250000000000 0.56520462540737 63.546 > 49 54 Cu 0.95876458474974 0.31250000000000 0.56520462540737 63.546 > 49 55 Cu 0.95876458474974 0.56250000000000 0.56520462540737 63.546 > 49 56 Cu 0.95876458474974 0.81250000000000 0.56520462540737 63.546 > 49 57 Cu 0.04123541525026 0.18750000000000 0.43479537459263 63.546 > 57 58 Cu 0.04123541525026 0.43750000000000 0.43479537459263 63.546 > 57 59 Cu 0.04123541525026 0.68750000000000 0.43479537459263 63.546 > 57 60 Cu 0.04123541525026 0.93750000000000 0.43479537459263 63.546 > 57 61 Cu 0.04123541525026 0.18750000000000 0.93479537459263 63.546 > 57 62 Cu 0.04123541525026 0.43750000000000 0.93479537459263 63.546 > 57 63 Cu 0.04123541525026 0.68750000000000 0.93479537459263 63.546 > 57 64 Cu 0.04123541525026 0.93750000000000 0.93479537459263 63.546 > 57 65 S 0.54187547694951 0.18750000000000 0.12500091832264 32.065 > 65 66 S 0.54187547694951 0.43750000000000 0.12500091832264 32.065 > 65 67 S 0.54187547694951 0.68750000000000 0.12500091832264 32.065 > 65 68 S 0.54187547694951 0.93750000000000 0.12500091832264 32.065 > 65 69 S 0.54187547694951 0.18750000000000 0.62500091832264 32.065 > 65 70 S 0.54187547694951 0.43750000000000 0.62500091832264 32.065 > 65 71 S 0.54187547694951 0.68750000000000 0.62500091832264 32.065 > 65 72 S 0.54187547694951 0.93750000000000 0.62500091832264 32.065 > 65 73 S 0.70328950049563 0.18750000000000 0.37615113589505 32.065 > 73 74 S 0.70328950049563 0.43750000000000 0.37615113589505 32.065 > 73 75 S 0.70328950049563 0.68750000000000 0.37615113589505 32.065 > 73 76 S 0.70328950049563 0.93750000000000 0.37615113589505 32.065 > 73 77 S 0.70328950049563 0.18750000000000 0.87615113589505 32.065 > 73 78 S 0.70328950049563 0.43750000000000 0.87615113589505 32.065 > 73 79 S 0.70328950049563 0.68750000000000 0.87615113589505 32.065 > 73 80 S 0.70328950049563 0.93750000000000 0.87615113589505 32.065 > 73 81 S 0.45812452305049 0.06250000000000 0.37499908167736 32.065 > 81 82 S 0.45812452305049 0.31250000000000 0.37499908167736 32.065 > 81 83 S 0.45812452305049 0.56250000000000 0.37499908167736 32.065 > 81 84 S 0.45812452305049 0.81250000000000 0.37499908167736 32.065 > 81 85 S 0.45812452305049 0.06250000000000 0.87499908167736 32.065 > 81 86 S 0.45812452305049 0.31250000000000 0.87499908167736 32.065 > 81 87 S 0.45812452305049 0.56250000000000 0.87499908167736 32.065 > 81 88 S 0.45812452305049 0.81250000000000 0.87499908167736 32.065 > 81 89 S 0.04187547694951 0.18750000000000 0.12499908167736 32.065 > 89 90 S 0.04187547694951 0.43750000000000 0.12499908167736 32.065 > 89 91 S 0.04187547694951 0.68750000000000 0.12499908167736 32.065 > 89 92 S 0.04187547694951 0.93750000000000 0.12499908167736 32.065 > 89 93 S 0.04187547694951 0.18750000000000 0.62499908167736 32.065 > 89 94 S 0.04187547694951 0.43750000000000 0.62499908167736 32.065 > 89 95 S 0.04187547694951 0.68750000000000 0.62499908167736 32.065 > 89 96 S 0.04187547694951 0.93750000000000 0.62499908167736 32.065 > 89 97 S 0.29671049950437 0.06250000000000 0.12384886410495 32.065 > 97 98 S 0.29671049950437 0.31250000000000 0.12384886410495 32.065 > 97 99 S 0.29671049950437 0.56250000000000 0.12384886410495 32.065 > 97 100 S 0.29671049950437 0.81250000000000 0.12384886410495 32.065 > 97 101 S 0.29671049950437 0.06250000000000 0.62384886410495 32.065 > 97 102 S 0.29671049950437 0.31250000000000 0.62384886410495 32.065 > 97 103 S 0.29671049950437 0.56250000000000 0.62384886410495 32.065 > 97 104 S 0.29671049950437 0.81250000000000 0.62384886410495 32.065 > 97 105 S 0.95812452305049 0.06250000000000 0.37500091832264 32.065 > 105 106 S 0.95812452305049 0.31250000000000 0.37500091832264 32.065 > 105 107 S 0.95812452305049 0.56250000000000 0.37500091832264 32.065 > 105 108 S 0.95812452305049 0.81250000000000 0.37500091832264 32.065 > 105 109 S 0.95812452305049 0.06250000000000 0.87500091832264 32.065 > 105 110 S 0.95812452305049 0.31250000000000 0.87500091832264 32.065 > 105 111 S 0.95812452305049 0.56250000000000 0.87500091832264 32.065 > 105 112 S 0.95812452305049 0.81250000000000 0.87500091832264 32.065 > 105 113 S 0.79671049950437 0.06250000000000 0.12615113589505 32.065 > 113 114 S 0.79671049950437 0.31250000000000 0.12615113589505 32.065 > 113 115 S 0.79671049950437 0.56250000000000 0.12615113589505 32.065 > 113 116 S 0.79671049950437 0.81250000000000 0.12615113589505 32.065 > 113 117 S 0.79671049950437 0.06250000000000 0.62615113589505 32.065 > 113 118 S 0.79671049950437 0.31250000000000 0.62615113589505 32.065 > 113 119 S 0.79671049950437 0.56250000000000 0.62615113589505 32.065 > 113 120 S 0.79671049950437 0.81250000000000 0.62615113589505 32.065 > 113 121 S 0.20328950049563 0.18750000000000 0.37384886410495 32.065 > 121 122 S 0.20328950049563 0.43750000000000 0.37384886410495 32.065 > 121 123 S 0.20328950049563 0.68750000000000 0.37384886410495 32.065 > 121 124 S 0.20328950049563 0.93750000000000 0.37384886410495 32.065 > 121 125 S 0.20328950049563 0.18750000000000 0.87384886410495 32.065 > 121 126 S 0.20328950049563 0.43750000000000 0.87384886410495 32.065 > 121 127 S 0.20328950049563 0.68750000000000 0.87384886410495 32.065 > 121 128 S 0.20328950049563 0.93750000000000 0.87384886410495 32.065 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6449006 0.0000000 0.0000000 0.0000000 9.8205207 0.0000000 0.0000000 0.0000000 8.9627833 -------------------------- Born effective charges -------------------------- 1 Dy 4.1351380 0.0000000 0.2366897 0.0000000 4.7933847 0.0000000 0.4125942 0.0000000 4.0121681 2 Dy 4.1351380 0.0000000 -0.2366897 0.0000000 4.7933847 0.0000000 -0.4125942 0.0000000 4.0121681 3 Dy 4.1351380 0.0000000 0.2366897 0.0000000 4.7933847 0.0000000 0.4125942 0.0000000 4.0121681 4 Dy 4.1351380 0.0000000 -0.2366897 0.0000000 4.7933847 0.0000000 -0.4125942 0.0000000 4.0121681 5 Cu 0.4872919 0.0000000 0.0502455 0.0000000 0.8344532 0.0000000 0.1239316 0.0000000 0.6806031 6 Cu 0.4872919 0.0000000 0.0502455 0.0000000 0.8344532 0.0000000 0.1239316 0.0000000 0.6806031 7 Cu 0.4872919 0.0000000 -0.0502455 0.0000000 0.8344532 0.0000000 -0.1239316 0.0000000 0.6806031 8 Cu 0.4872919 0.0000000 -0.0502455 0.0000000 0.8344532 0.0000000 -0.1239316 0.0000000 0.6806031 9 S -1.9689887 0.0000000 0.2847804 0.0000000 -2.9618797 0.0000000 0.0550312 0.0000000 -2.3159560 10 S -2.6534413 0.0000000 1.1174200 0.0000000 -2.6659582 0.0000000 1.0539755 0.0000000 -2.3768152 11 S -1.9689887 0.0000000 0.2847804 0.0000000 -2.9618797 0.0000000 0.0550312 0.0000000 -2.3159560 12 S -1.9689887 0.0000000 -0.2847804 0.0000000 -2.9618797 0.0000000 -0.0550312 0.0000000 -2.3159560 13 S -2.6534413 0.0000000 1.1174200 0.0000000 -2.6659582 0.0000000 1.0539755 0.0000000 -2.3768152 14 S -1.9689887 0.0000000 -0.2847804 0.0000000 -2.9618797 0.0000000 -0.0550312 0.0000000 -2.3159560 15 S -2.6534413 0.0000000 -1.1174200 0.0000000 -2.6659582 0.0000000 -1.0539755 0.0000000 -2.3768152 16 S -2.6534413 0.0000000 -1.1174200 0.0000000 -2.6659582 0.0000000 -1.0539755 0.0000000 -2.3768152 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 4 13 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 295, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.901 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.644 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.086 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.557 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.761 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 9.946 ( 0.000 0.000 0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 11.064 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 16.887 0.000 0.000) 16.887 0.525 ( 26.883 0.000 0.000) 26.883 0.796 ( 40.997 0.000 0.000) 40.997 0.826 ( -7.682 0.000 0.000) 7.682 1.397 ( -16.997 0.000 0.000) 16.997 1.962 ( 8.307 0.000 0.000) 8.307 1.994 ( 1.683 0.000 0.000) 1.683 2.063 ( -1.240 0.000 0.000) 1.240 2.153 ( -18.837 0.000 0.000) 18.837 2.247 ( -13.139 0.000 0.000) 13.139 2.521 ( 0.046 0.000 0.000) 0.046 2.524 ( -0.045 0.000 0.000) 0.045 2.542 ( 3.957 0.000 0.000) 3.957 2.678 ( -3.309 0.000 0.000) 3.309 2.719 ( 0.345 0.000 0.000) 0.345 2.736 ( -0.345 0.000 0.000) 0.345 3.105 ( 2.339 0.000 0.000) 2.339 3.131 ( -0.141 0.000 0.000) 0.141 3.233 ( 3.200 0.000 0.000) 3.200 3.386 ( 1.891 0.000 0.000) 1.891 3.825 ( 0.851 0.000 0.000) 0.851 4.111 ( -5.768 0.000 0.000) 5.768 4.185 ( 11.986 0.000 0.000) 11.986 4.532 ( -5.215 0.000 0.000) 5.215 6.270 ( 2.533 0.000 0.000) 2.533 6.415 ( -3.759 0.000 0.000) 3.759 6.482 ( 3.087 0.000 0.000) 3.087 6.623 ( -2.418 0.000 0.000) 2.418 6.900 ( -0.364 0.000 0.000) 0.364 6.931 ( 3.440 0.000 0.000) 3.440 6.964 ( -2.026 0.000 0.000) 2.026 7.033 ( 3.201 0.000 0.000) 3.201 7.063 ( -2.302 0.000 0.000) 2.302 7.165 ( -3.828 0.000 0.000) 3.828 7.373 ( 3.777 0.000 0.000) 3.777 7.478 ( -1.436 0.000 0.000) 1.436 7.529 ( 0.588 0.000 0.000) 0.588 7.557 ( -0.569 0.000 0.000) 0.569 7.766 ( 0.542 0.000 0.000) 0.542 7.791 ( -0.484 0.000 0.000) 0.484 8.247 ( 0.435 0.000 0.000) 0.435 8.267 ( -0.416 0.000 0.000) 0.416 9.573 ( 0.385 0.000 0.000) 0.385 9.589 ( -0.302 0.000 0.000) 0.302 9.887 ( 0.965 0.000 0.000) 0.965 9.935 ( -1.063 0.000 0.000) 1.063 11.070 ( 0.599 0.000 0.000) 0.599 11.098 ( -0.554 0.000 0.000) 0.554 ======================= Grid point 2 (3/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -13.439 0.000 0.000) 13.439 0.623 ( 13.439 0.000 0.000) 13.439 0.998 ( -22.638 0.000 0.000) 22.638 0.998 ( 22.638 0.000 0.000) 22.638 1.556 ( -36.737 0.000 0.000) 36.737 1.556 ( 36.737 0.000 0.000) 36.737 2.031 ( -2.013 0.000 0.000) 2.013 2.031 ( 2.013 0.000 0.000) 2.013 2.108 ( -7.035 0.000 0.000) 7.035 2.108 ( 7.035 0.000 0.000) 7.035 2.522 ( -0.065 0.000 0.000) 0.065 2.522 ( 0.065 0.000 0.000) 0.065 2.620 ( -3.631 0.000 0.000) 3.631 2.620 ( 3.631 0.000 0.000) 3.631 2.728 ( -0.488 0.000 0.000) 0.488 2.728 ( 0.488 0.000 0.000) 0.488 3.126 ( -0.489 0.000 0.000) 0.489 3.126 ( 0.489 0.000 0.000) 0.489 3.322 ( -5.793 0.000 0.000) 5.793 3.322 ( 5.793 0.000 0.000) 5.793 3.959 ( -9.627 0.000 0.000) 9.627 3.959 ( 9.627 0.000 0.000) 9.627 4.391 ( -9.486 0.000 0.000) 9.486 4.391 ( 9.486 0.000 0.000) 9.486 6.335 ( -4.186 0.000 0.000) 4.186 6.335 ( 4.186 0.000 0.000) 4.186 6.556 ( -4.239 0.000 0.000) 4.239 6.556 ( 4.239 0.000 0.000) 4.239 6.920 ( -2.206 0.000 0.000) 2.206 6.920 ( 2.206 0.000 0.000) 2.206 7.004 ( -3.792 0.000 0.000) 3.792 7.004 ( 3.792 0.000 0.000) 3.792 7.096 ( -3.461 0.000 0.000) 3.461 7.096 ( 3.461 0.000 0.000) 3.461 7.437 ( -2.863 0.000 0.000) 2.863 7.437 ( 2.863 0.000 0.000) 2.863 7.543 ( -0.815 0.000 0.000) 0.815 7.543 ( 0.815 0.000 0.000) 0.815 7.779 ( -0.723 0.000 0.000) 0.723 7.779 ( 0.723 0.000 0.000) 0.723 8.257 ( -0.602 0.000 0.000) 0.602 8.257 ( 0.602 0.000 0.000) 0.602 9.582 ( -0.482 0.000 0.000) 0.482 9.582 ( 0.482 0.000 0.000) 0.482 9.910 ( -1.436 0.000 0.000) 1.436 9.910 ( 1.436 0.000 0.000) 1.436 11.085 ( -0.814 0.000 0.000) 0.814 11.085 ( 0.814 0.000 0.000) 0.814 ======================= Grid point 5 (4/105) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 0.000 19.386 0.000) 19.386 0.381 ( 0.000 20.062 0.000) 20.062 0.958 ( 0.000 46.605 0.000) 46.605 1.249 ( 0.000 28.416 0.000) 28.416 1.645 ( 0.000 4.055 0.000) 4.055 1.789 ( 0.000 -2.105 0.000) 2.105 1.949 ( 0.000 -2.183 0.000) 2.183 2.218 ( 0.000 11.725 0.000) 11.725 2.238 ( 0.000 -0.463 0.000) 0.463 2.480 ( 0.000 -1.229 0.000) 1.229 2.493 ( 0.000 0.161 0.000) 0.161 2.544 ( 0.000 2.229 0.000) 2.229 2.623 ( 0.000 4.007 0.000) 4.007 2.738 ( 0.000 -2.342 0.000) 2.342 2.766 ( 0.000 3.983 0.000) 3.983 2.770 ( 0.000 4.932 0.000) 4.932 2.921 ( 0.000 3.468 0.000) 3.468 3.121 ( 0.000 -1.194 0.000) 1.194 3.155 ( 0.000 10.542 0.000) 10.542 3.307 ( 0.000 -0.784 0.000) 0.784 3.898 ( 0.000 -2.465 0.000) 2.465 3.948 ( 0.000 -3.286 0.000) 3.286 4.125 ( 0.000 -4.066 0.000) 4.066 4.508 ( 0.000 -3.678 0.000) 3.678 6.389 ( 0.000 0.247 0.000) 0.247 6.406 ( 0.000 -3.508 0.000) 3.508 6.661 ( 0.000 1.668 0.000) 1.668 6.684 ( 0.000 21.014 0.000) 21.014 6.902 ( 0.000 0.394 0.000) 0.394 6.974 ( 0.000 -1.131 0.000) 1.131 6.982 ( 0.000 -0.964 0.000) 0.964 7.124 ( 0.000 3.125 0.000) 3.125 7.210 ( 0.000 -0.663 0.000) 0.663 7.341 ( 0.000 2.018 0.000) 2.018 7.428 ( 0.000 -0.965 0.000) 0.965 7.533 ( 0.000 1.720 0.000) 1.720 7.585 ( 0.000 2.266 0.000) 2.266 7.590 ( 0.000 3.364 0.000) 3.364 7.849 ( 0.000 4.648 0.000) 4.648 7.875 ( 0.000 11.542 0.000) 11.542 8.335 ( 0.000 9.058 0.000) 9.058 8.710 ( 0.000 1.266 0.000) 1.266 9.543 ( 0.000 -2.524 0.000) 2.524 9.566 ( 0.000 -2.569 0.000) 2.569 9.870 ( 0.000 -0.670 0.000) 0.670 9.932 ( 0.000 -1.370 0.000) 1.370 10.409 ( 0.000 -2.472 0.000) 2.472 10.959 ( 0.000 -9.952 0.000) 9.952 ======================= Grid point 6 (5/105) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 20.622 9.840 0.000) 22.849 0.696 ( 20.538 13.434 0.000) 24.541 1.103 ( 14.782 32.374 0.000) 35.590 1.181 ( -6.864 27.166 0.000) 28.020 1.439 ( -13.793 6.688 0.000) 15.329 1.911 ( 7.640 -1.437 0.000) 7.774 1.922 ( -5.120 -2.612 0.000) 5.748 2.180 ( -7.033 0.575 0.000) 7.057 2.221 ( 0.143 11.983 0.000) 11.984 2.361 ( -11.910 8.963 0.000) 14.906 2.507 ( 2.650 -2.105 0.000) 3.384 2.546 ( 0.126 2.344 0.000) 2.348 2.574 ( -2.103 4.154 0.000) 4.656 2.612 ( -3.889 -2.970 0.000) 4.894 2.778 ( 0.819 5.053 0.000) 5.119 2.812 ( 0.259 4.416 0.000) 4.423 3.093 ( 9.008 -3.123 0.000) 9.534 3.128 ( 2.854 -0.840 0.000) 2.975 3.129 ( -0.996 2.462 0.000) 2.656 3.393 ( 1.373 1.540 0.000) 2.063 3.798 ( 0.870 -2.613 0.000) 2.754 4.072 ( -5.475 -3.769 0.000) 6.647 4.144 ( 11.418 -3.706 0.000) 12.005 4.467 ( -4.536 -4.392 0.000) 6.314 6.370 ( -0.831 1.672 0.000) 1.868 6.400 ( -0.815 -2.682 0.000) 2.803 6.691 ( 1.253 19.506 0.000) 19.547 6.705 ( 3.219 2.645 0.000) 4.166 6.934 ( 2.442 1.256 0.000) 2.746 6.961 ( -0.827 -0.577 0.000) 1.009 6.968 ( -1.643 -0.157 0.000) 1.651 7.099 ( -3.231 4.903 0.000) 5.872 7.180 ( -2.003 1.075 0.000) 2.273 7.275 ( -12.677 13.139 0.000) 18.257 7.381 ( 3.249 1.135 0.000) 3.442 7.491 ( -2.866 2.423 0.000) 3.753 7.553 ( 0.202 2.631 0.000) 2.639 7.579 ( -0.586 2.251 0.000) 2.327 7.847 ( -0.183 4.988 0.000) 4.991 7.849 ( -0.936 8.808 0.000) 8.857 8.343 ( 0.911 9.272 0.000) 9.317 8.473 ( -9.916 13.108 0.000) 16.436 9.547 ( 0.369 -2.577 0.000) 2.604 9.563 ( -0.310 -2.578 0.000) 2.597 9.878 ( 0.854 -0.782 0.000) 1.158 9.922 ( -0.970 -1.279 0.000) 1.605 10.735 ( 16.528 -19.195 0.000) 25.330 10.953 ( -0.822 -10.848 0.000) 10.879 ======================= Grid point 7 (6/105) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -0.561 18.271 0.000) 18.280 0.959 ( 0.561 18.271 0.000) 18.280 1.052 ( -7.380 9.007 0.000) 11.644 1.052 ( 7.380 9.007 0.000) 11.644 1.618 ( -24.726 10.740 0.000) 26.958 1.618 ( 24.726 10.740 0.000) 26.958 2.038 ( -6.017 0.181 0.000) 6.020 2.038 ( 6.017 0.181 0.000) 6.020 2.236 ( -2.284 11.628 0.000) 11.850 2.236 ( 2.284 11.628 0.000) 11.850 2.550 ( -0.095 2.272 0.000) 2.274 2.550 ( 0.095 2.272 0.000) 2.274 2.563 ( -2.154 -3.045 0.000) 3.730 2.563 ( 2.154 -3.045 0.000) 3.730 2.799 ( -1.228 5.195 0.000) 5.338 2.799 ( 1.228 5.195 0.000) 5.338 3.119 ( -0.231 -0.650 0.000) 0.690 3.119 ( 0.231 -0.650 0.000) 0.690 3.297 ( -8.748 -0.586 0.000) 8.768 3.297 ( 8.748 -0.586 0.000) 8.768 3.928 ( -9.185 -2.986 0.000) 9.658 3.928 ( 9.185 -2.986 0.000) 9.658 4.338 ( -8.839 -4.400 0.000) 9.874 4.338 ( 8.839 -4.400 0.000) 9.874 6.377 ( -1.249 0.174 0.000) 1.261 6.377 ( 1.249 0.174 0.000) 1.261 6.728 ( -1.443 12.045 0.000) 12.131 6.728 ( 1.443 12.045 0.000) 12.131 6.934 ( -0.425 2.233 0.000) 2.273 6.934 ( 0.425 2.233 0.000) 2.273 7.009 ( -4.326 4.231 0.000) 6.051 7.009 ( 4.326 4.231 0.000) 6.051 7.164 ( -0.904 4.857 0.000) 4.940 7.164 ( 0.904 4.857 0.000) 4.940 7.441 ( -2.862 0.861 0.000) 2.988 7.441 ( 2.862 0.861 0.000) 2.988 7.565 ( -0.814 2.244 0.000) 2.387 7.565 ( 0.814 2.244 0.000) 2.387 7.844 ( -0.104 6.105 0.000) 6.106 7.844 ( 0.104 6.105 0.000) 6.106 8.374 ( -2.591 10.350 0.000) 10.669 8.374 ( 2.591 10.350 0.000) 10.669 9.555 ( -0.487 -2.593 0.000) 2.639 9.555 ( 0.487 -2.593 0.000) 2.639 9.900 ( -1.290 -1.041 0.000) 1.658 9.900 ( 1.290 -1.041 0.000) 1.658 10.912 ( -4.308 -14.316 0.000) 14.950 10.912 ( 4.308 -14.316 0.000) 14.950 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 21.547 0.000) 21.547 0.793 ( 0.000 21.304 0.000) 21.304 1.688 ( 0.000 14.045 0.000) 14.045 1.776 ( 0.000 0.935 0.000) 0.935 1.795 ( 0.000 22.638 0.000) 22.638 1.888 ( 0.000 32.551 0.000) 32.551 1.914 ( 0.000 -0.888 0.000) 0.888 2.248 ( 0.000 2.052 0.000) 2.052 2.444 ( 0.000 9.336 0.000) 9.336 2.465 ( 0.000 0.118 0.000) 0.118 2.472 ( 0.000 -1.745 0.000) 1.745 2.601 ( 0.000 3.357 0.000) 3.357 2.699 ( 0.000 -0.397 0.000) 0.397 2.714 ( 0.000 4.987 0.000) 4.987 2.881 ( 0.000 6.152 0.000) 6.152 2.882 ( 0.000 5.627 0.000) 5.627 3.057 ( 0.000 10.999 0.000) 10.999 3.088 ( 0.000 -1.967 0.000) 1.967 3.301 ( 0.000 0.415 0.000) 0.415 3.419 ( 0.000 15.576 0.000) 15.576 3.827 ( 0.000 -4.727 0.000) 4.727 3.879 ( 0.000 -3.033 0.000) 3.033 4.014 ( 0.000 -6.782 0.000) 6.782 4.401 ( 0.000 -7.143 0.000) 7.143 6.351 ( 0.000 -1.586 0.000) 1.586 6.410 ( 0.000 1.943 0.000) 1.943 6.709 ( 0.000 3.181 0.000) 3.181 6.905 ( 0.000 0.073 0.000) 0.073 6.934 ( 0.000 -2.932 0.000) 2.932 6.956 ( 0.000 -1.591 0.000) 1.591 7.163 ( 0.000 18.292 0.000) 18.292 7.185 ( 0.000 2.747 0.000) 2.747 7.205 ( 0.000 6.474 0.000) 6.474 7.400 ( 0.000 4.044 0.000) 4.044 7.404 ( 0.000 -1.046 0.000) 1.046 7.577 ( 0.000 2.515 0.000) 2.515 7.653 ( 0.000 4.829 0.000) 4.829 7.684 ( 0.000 5.861 0.000) 5.861 7.940 ( 0.000 3.924 0.000) 3.924 8.196 ( 0.000 19.816 0.000) 19.816 8.577 ( 0.000 14.406 0.000) 14.406 8.741 ( 0.000 1.531 0.000) 1.531 9.476 ( 0.000 -4.094 0.000) 4.094 9.496 ( 0.000 -4.413 0.000) 4.413 9.853 ( 0.000 -0.939 0.000) 0.939 9.896 ( 0.000 -2.163 0.000) 2.163 10.340 ( 0.000 -4.410 0.000) 4.410 10.714 ( 0.000 -13.681 0.000) 13.681 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 12.326 17.455 0.000) 21.369 0.951 ( 14.823 14.524 0.000) 20.752 1.483 ( -14.764 8.837 0.000) 17.207 1.596 ( -15.056 10.492 0.000) 18.351 1.918 ( 8.658 5.974 0.000) 10.519 1.937 ( 4.744 31.840 0.000) 32.192 2.004 ( 3.406 10.413 0.000) 10.956 2.221 ( -3.334 5.435 0.000) 6.376 2.450 ( 0.320 8.599 0.000) 8.605 2.465 ( -0.749 0.556 0.000) 0.933 2.482 ( 1.724 0.639 0.000) 1.839 2.594 ( -1.760 3.250 0.000) 3.696 2.635 ( -3.869 4.647 0.000) 6.047 2.675 ( -3.015 5.973 0.000) 6.691 2.886 ( 0.491 5.236 0.000) 5.259 2.894 ( 0.696 4.158 0.000) 4.216 3.078 ( 1.051 -0.873 0.000) 1.366 3.169 ( 8.295 7.116 0.000) 10.929 3.191 ( -6.062 3.476 0.000) 6.988 3.488 ( -1.819 8.530 0.000) 8.722 3.732 ( 1.470 -3.540 0.000) 3.833 3.971 ( -4.436 -6.007 0.000) 7.467 4.055 ( 10.353 -4.954 0.000) 11.477 4.357 ( -4.574 -6.893 0.000) 8.272 6.358 ( 0.623 -1.079 0.000) 1.246 6.394 ( -1.253 1.613 0.000) 2.042 6.752 ( 3.947 2.690 0.000) 4.777 6.888 ( -1.912 0.980 0.000) 2.148 6.932 ( -0.063 -2.291 0.000) 2.292 6.948 ( -0.703 -1.484 0.000) 1.642 7.161 ( -0.300 8.159 0.000) 8.164 7.177 ( -0.730 2.943 0.000) 3.032 7.230 ( 2.977 12.955 0.000) 13.292 7.379 ( -2.728 1.043 0.000) 2.920 7.436 ( 3.426 5.421 0.000) 6.413 7.570 ( -1.113 3.580 0.000) 3.749 7.648 ( -0.524 4.952 0.000) 4.980 7.660 ( -2.058 7.739 0.000) 8.008 7.953 ( 1.402 5.121 0.000) 5.310 8.116 ( -6.990 17.191 0.000) 18.558 8.583 ( 0.729 14.022 0.000) 14.041 8.671 ( -4.775 7.637 0.000) 9.007 9.477 ( 0.244 -4.232 0.000) 4.239 9.493 ( -0.327 -4.417 0.000) 4.429 9.858 ( 0.542 -1.138 0.000) 1.260 9.888 ( -0.704 -1.999 0.000) 2.119 10.464 ( 9.963 -10.031 0.000) 14.138 10.696 ( -2.056 -13.848 0.000) 14.000 ======================= Grid point 12 (9/105) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -14.349 10.485 0.000) 17.772 1.173 ( 14.349 10.485 0.000) 17.772 1.284 ( -15.866 9.695 0.000) 18.594 1.284 ( 15.866 9.695 0.000) 18.594 2.006 ( -2.669 12.332 0.000) 12.618 2.006 ( 2.669 12.332 0.000) 12.618 2.102 ( -9.048 16.819 0.000) 19.099 2.102 ( 9.048 16.819 0.000) 19.099 2.453 ( -0.243 6.463 0.000) 6.468 2.453 ( 0.243 6.463 0.000) 6.468 2.527 ( -3.120 2.358 0.000) 3.911 2.527 ( 3.120 2.358 0.000) 3.911 2.629 ( -1.545 5.131 0.000) 5.359 2.629 ( 1.545 5.131 0.000) 5.359 2.896 ( -0.385 4.204 0.000) 4.222 2.896 ( 0.385 4.204 0.000) 4.222 3.110 ( -2.688 0.227 0.000) 2.698 3.110 ( 2.688 0.227 0.000) 2.698 3.347 ( -9.776 5.832 0.000) 11.384 3.347 ( 9.776 5.832 0.000) 11.384 3.853 ( -7.696 -3.942 0.000) 8.647 3.853 ( 7.696 -3.942 0.000) 8.647 4.234 ( -8.236 -6.169 0.000) 10.290 4.234 ( 8.236 -6.169 0.000) 10.290 6.373 ( -0.976 0.305 0.000) 1.023 6.373 ( 0.976 0.305 0.000) 1.023 6.832 ( -3.919 1.927 0.000) 4.367 6.832 ( 3.919 1.927 0.000) 4.367 6.936 ( -0.463 -1.460 0.000) 1.532 6.936 ( 0.463 -1.460 0.000) 1.532 7.163 ( -0.559 3.814 0.000) 3.855 7.163 ( 0.559 3.814 0.000) 3.855 7.306 ( -4.526 8.321 0.000) 9.472 7.306 ( 4.526 8.321 0.000) 9.472 7.514 ( -4.382 7.487 0.000) 8.675 7.514 ( 4.382 7.487 0.000) 8.675 7.639 ( -0.090 5.978 0.000) 5.978 7.639 ( 0.090 5.978 0.000) 5.978 8.002 ( -4.237 9.743 0.000) 10.624 8.002 ( 4.237 9.743 0.000) 10.624 8.608 ( -2.064 12.445 0.000) 12.615 8.608 ( 2.064 12.445 0.000) 12.615 9.485 ( -0.467 -4.387 0.000) 4.412 9.485 ( 0.467 -4.387 0.000) 4.412 9.872 ( -0.880 -1.583 0.000) 1.811 9.872 ( 0.880 -1.583 0.000) 1.811 10.623 ( -6.069 -13.677 0.000) 14.963 10.623 ( 6.069 -13.677 0.000) 14.963 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 20.212 0.000) 20.212 1.209 ( 0.000 20.448 0.000) 20.448 1.821 ( 0.000 3.383 0.000) 3.383 1.863 ( 0.000 7.561 0.000) 7.561 1.926 ( 0.000 2.252 0.000) 2.252 2.055 ( 0.000 5.274 0.000) 5.274 2.294 ( 0.000 0.583 0.000) 0.583 2.398 ( 0.000 5.736 0.000) 5.736 2.434 ( 0.000 -2.059 0.000) 2.059 2.564 ( 0.000 3.443 0.000) 3.443 2.624 ( 0.000 23.147 0.000) 23.147 2.670 ( 0.000 2.911 0.000) 2.911 2.771 ( 0.000 7.503 0.000) 7.503 2.811 ( 0.000 4.671 0.000) 4.671 2.973 ( 0.000 3.384 0.000) 3.384 2.975 ( 0.000 3.209 0.000) 3.209 3.055 ( 0.000 -0.396 0.000) 0.396 3.318 ( 0.000 0.698 0.000) 0.698 3.344 ( 0.000 16.678 0.000) 16.678 3.709 ( 0.000 -6.138 0.000) 6.138 3.748 ( 0.000 16.152 0.000) 16.152 3.870 ( 0.000 3.519 0.000) 3.519 3.878 ( 0.000 -6.125 0.000) 6.125 4.234 ( 0.000 -9.351 0.000) 9.351 6.345 ( 0.000 0.786 0.000) 0.786 6.466 ( 0.000 3.614 0.000) 3.614 6.784 ( 0.000 4.262 0.000) 4.262 6.855 ( 0.000 -4.848 0.000) 4.848 6.911 ( 0.000 0.579 0.000) 0.579 6.921 ( 0.000 -1.849 0.000) 1.849 7.179 ( 0.000 -0.585 0.000) 0.585 7.217 ( 0.000 -0.044 0.000) 0.044 7.413 ( 0.000 2.668 0.000) 2.668 7.506 ( 0.000 6.771 0.000) 6.771 7.584 ( 0.000 13.052 0.000) 13.052 7.625 ( 0.000 2.293 0.000) 2.293 7.812 ( 0.000 12.715 0.000) 12.715 7.815 ( 0.000 7.366 0.000) 7.366 8.002 ( 0.000 2.560 0.000) 2.560 8.604 ( 0.000 20.086 0.000) 20.086 8.759 ( 0.000 0.078 0.000) 0.078 8.858 ( 0.000 12.816 0.000) 12.816 9.392 ( 0.000 -4.009 0.000) 4.009 9.397 ( 0.000 -5.511 0.000) 5.511 9.836 ( 0.000 -0.703 0.000) 0.703 9.855 ( 0.000 -1.605 0.000) 1.605 10.239 ( 0.000 -5.672 0.000) 5.672 10.455 ( 0.000 -11.892 0.000) 11.892 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 6.901 17.994 0.000) 19.272 1.268 ( 6.182 16.907 0.000) 18.001 1.655 ( -10.659 8.679 0.000) 13.746 1.714 ( -14.181 4.850 0.000) 14.988 1.983 ( 6.304 3.966 0.000) 7.447 2.137 ( 0.519 3.732 0.000) 3.768 2.343 ( 4.657 1.864 0.000) 5.016 2.402 ( 0.201 4.290 0.000) 4.295 2.458 ( 2.942 -0.455 0.000) 2.977 2.559 ( -0.482 4.639 0.000) 4.664 2.658 ( 2.944 20.033 0.000) 20.248 2.674 ( 0.553 3.099 0.000) 3.148 2.760 ( -1.134 8.783 0.000) 8.856 2.789 ( -2.540 4.817 0.000) 5.446 2.965 ( -0.518 2.751 0.000) 2.799 2.972 ( -0.381 3.255 0.000) 3.277 3.073 ( 2.461 1.943 0.000) 3.136 3.265 ( -5.090 3.693 0.000) 6.288 3.387 ( 4.163 13.076 0.000) 13.723 3.617 ( -6.999 -0.509 0.000) 7.018 3.771 ( 2.450 11.924 0.000) 12.173 3.863 ( -1.542 -3.721 0.000) 4.027 3.969 ( 7.308 -2.583 0.000) 7.751 4.199 ( -3.636 -8.673 0.000) 9.404 6.360 ( 1.499 1.147 0.000) 1.888 6.442 ( -2.164 3.149 0.000) 3.821 6.815 ( 2.823 3.643 0.000) 4.608 6.862 ( 0.614 -4.122 0.000) 4.167 6.907 ( -0.558 0.795 0.000) 0.971 6.912 ( -0.899 -2.153 0.000) 2.333 7.180 ( 0.188 -0.351 0.000) 0.398 7.208 ( -0.873 -0.077 0.000) 0.876 7.415 ( 0.306 3.617 0.000) 3.630 7.467 ( -2.613 7.813 0.000) 8.238 7.620 ( 2.112 8.548 0.000) 8.805 7.632 ( 0.569 2.770 0.000) 2.828 7.811 ( -0.021 11.657 0.000) 11.657 7.815 ( -0.034 7.851 0.000) 7.851 8.056 ( 5.812 6.048 0.000) 8.388 8.451 ( -12.183 14.339 0.000) 18.816 8.813 ( 2.834 7.659 0.000) 8.166 8.856 ( -0.209 12.512 0.000) 12.513 9.390 ( -0.144 -4.291 0.000) 4.294 9.394 ( -0.220 -5.368 0.000) 5.372 9.837 ( 0.166 -0.879 0.000) 0.895 9.851 ( -0.385 -1.484 0.000) 1.533 10.294 ( 4.883 -7.707 0.000) 9.124 10.440 ( -1.724 -11.632 0.000) 11.759 ======================= Grid point 17 (12/105) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -1.177 11.764 0.000) 11.823 1.395 ( 1.177 11.764 0.000) 11.823 1.494 ( -2.261 11.701 0.000) 11.918 1.494 ( 2.261 11.701 0.000) 11.918 2.087 ( -4.574 3.081 0.000) 5.515 2.087 ( 4.574 3.081 0.000) 5.515 2.397 ( -1.042 2.318 0.000) 2.542 2.397 ( 1.042 2.318 0.000) 2.542 2.532 ( -3.096 4.062 0.000) 5.107 2.532 ( 3.096 4.062 0.000) 5.107 2.697 ( -0.661 9.550 0.000) 9.573 2.697 ( 0.661 9.550 0.000) 9.573 2.738 ( -0.352 7.758 0.000) 7.766 2.738 ( 0.352 7.758 0.000) 7.766 2.964 ( -0.313 3.093 0.000) 3.108 2.964 ( 0.313 3.093 0.000) 3.108 3.154 ( -5.791 5.032 0.000) 7.672 3.154 ( 5.791 5.032 0.000) 7.672 3.488 ( -6.328 6.348 0.000) 8.963 3.488 ( 6.328 6.348 0.000) 8.963 3.822 ( -2.642 2.887 0.000) 3.914 3.822 ( 2.642 2.887 0.000) 3.914 4.102 ( -6.398 -6.572 0.000) 9.173 4.102 ( 6.398 -6.572 0.000) 9.173 6.397 ( -2.350 2.091 0.000) 3.145 6.397 ( 2.350 2.091 0.000) 3.145 6.863 ( -1.431 0.662 0.000) 1.577 6.863 ( 1.431 0.662 0.000) 1.577 6.896 ( -0.237 -1.556 0.000) 1.574 6.896 ( 0.237 -1.556 0.000) 1.574 7.190 ( -0.841 -0.115 0.000) 0.849 7.190 ( 0.841 -0.115 0.000) 0.849 7.429 ( -1.333 5.914 0.000) 6.062 7.429 ( 1.333 5.914 0.000) 6.062 7.640 ( -0.025 4.460 0.000) 4.460 7.640 ( 0.025 4.460 0.000) 4.460 7.813 ( -0.177 9.473 0.000) 9.475 7.813 ( 0.177 9.473 0.000) 9.475 8.219 ( -11.205 11.388 0.000) 15.976 8.219 ( 11.205 11.388 0.000) 15.976 8.847 ( -0.930 11.244 0.000) 11.282 8.847 ( 0.930 11.244 0.000) 11.282 9.390 ( -0.170 -4.916 0.000) 4.919 9.390 ( 0.170 -4.916 0.000) 4.919 9.843 ( -0.412 -1.199 0.000) 1.268 9.843 ( 0.412 -1.199 0.000) 1.268 10.385 ( -4.097 -10.435 0.000) 11.210 10.385 ( 4.097 -10.435 0.000) 11.210 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.000 16.191 0.000) 16.191 1.590 ( 0.000 17.858 0.000) 17.858 1.896 ( 0.000 3.868 0.000) 3.868 1.989 ( 0.000 4.716 0.000) 4.716 2.005 ( 0.000 5.636 0.000) 5.636 2.099 ( 0.000 0.338 0.000) 0.338 2.271 ( 0.000 -1.931 0.000) 1.931 2.388 ( 0.000 -2.626 0.000) 2.626 2.436 ( 0.000 1.038 0.000) 1.038 2.611 ( 0.000 1.820 0.000) 1.820 2.697 ( 0.000 -0.459 0.000) 0.459 2.870 ( 0.000 0.591 0.000) 0.591 2.897 ( 0.000 2.637 0.000) 2.637 2.913 ( 0.000 5.634 0.000) 5.634 3.013 ( 0.000 0.875 0.000) 0.875 3.015 ( 0.000 0.970 0.000) 0.970 3.197 ( 0.000 12.864 0.000) 12.864 3.304 ( 0.000 -1.990 0.000) 1.990 3.564 ( 0.000 -7.474 0.000) 7.474 3.647 ( 0.000 11.531 0.000) 11.531 3.823 ( 0.000 2.262 0.000) 2.262 4.037 ( 0.000 12.173 0.000) 12.173 4.063 ( 0.000 -6.133 0.000) 6.133 4.064 ( 0.000 14.712 0.000) 14.712 6.375 ( 0.000 2.050 0.000) 2.050 6.547 ( 0.000 4.429 0.000) 4.429 6.750 ( 0.000 -5.601 0.000) 5.601 6.869 ( 0.000 2.862 0.000) 2.862 6.887 ( 0.000 -0.293 0.000) 0.293 6.928 ( 0.000 1.174 0.000) 1.174 7.165 ( 0.000 -1.032 0.000) 1.032 7.186 ( 0.000 -2.544 0.000) 2.544 7.505 ( 0.000 5.853 0.000) 5.853 7.663 ( 0.000 8.678 0.000) 8.678 7.664 ( 0.000 1.624 0.000) 1.624 7.742 ( 0.000 5.435 0.000) 5.435 7.972 ( 0.000 8.509 0.000) 8.509 8.055 ( 0.000 3.122 0.000) 3.122 8.084 ( 0.000 12.150 0.000) 12.150 8.734 ( 0.000 -2.801 0.000) 2.801 8.955 ( 0.000 14.890 0.000) 14.890 9.045 ( 0.000 5.642 0.000) 5.642 9.280 ( 0.000 -6.261 0.000) 6.261 9.328 ( 0.000 -2.354 0.000) 2.354 9.827 ( 0.000 -0.196 0.000) 0.196 9.845 ( 0.000 0.847 0.000) 0.847 10.120 ( 0.000 -6.300 0.000) 6.300 10.255 ( 0.000 -8.251 0.000) 8.251 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 3.319 14.748 0.000) 15.117 1.598 ( 1.181 16.108 0.000) 16.151 1.815 ( -5.959 7.182 0.000) 9.332 1.828 ( -9.724 6.656 0.000) 11.784 2.055 ( 4.589 2.679 0.000) 5.314 2.198 ( -0.913 2.215 0.000) 2.396 2.327 ( 7.364 -1.382 0.000) 7.493 2.423 ( 4.433 -3.101 0.000) 5.410 2.429 ( -0.778 0.778 0.000) 1.100 2.605 ( -0.846 1.307 0.000) 1.557 2.698 ( 0.362 -0.527 0.000) 0.639 2.827 ( -4.638 -1.423 0.000) 4.852 2.897 ( 0.219 4.199 0.000) 4.204 2.910 ( -0.294 5.475 0.000) 5.483 3.015 ( 0.105 1.148 0.000) 1.153 3.015 ( 0.054 1.481 0.000) 1.482 3.225 ( 2.564 10.013 0.000) 10.337 3.296 ( -0.784 -0.741 0.000) 1.078 3.569 ( 0.311 -4.369 0.000) 4.380 3.603 ( -2.789 7.601 0.000) 8.096 3.884 ( 4.751 5.836 0.000) 7.526 4.011 ( -2.090 10.049 0.000) 10.264 4.054 ( -0.785 -3.592 0.000) 3.676 4.060 ( -0.718 12.781 0.000) 12.801 6.396 ( 2.140 2.327 0.000) 3.161 6.514 ( -3.049 3.972 0.000) 5.007 6.768 ( 1.815 -5.124 0.000) 5.436 6.863 ( -2.148 -2.528 0.000) 3.318 6.893 ( 1.890 3.891 0.000) 4.326 6.931 ( 0.097 1.517 0.000) 1.520 7.167 ( 0.226 -1.060 0.000) 1.084 7.182 ( -0.390 -2.097 0.000) 2.133 7.519 ( 1.493 6.227 0.000) 6.404 7.625 ( -3.284 8.250 0.000) 8.880 7.680 ( 1.516 2.086 0.000) 2.579 7.739 ( -0.682 4.641 0.000) 4.691 7.974 ( 0.189 8.353 0.000) 8.355 8.002 ( -1.959 7.090 0.000) 7.356 8.209 ( 9.190 8.450 0.000) 12.484 8.620 ( -10.020 2.935 0.000) 10.441 8.992 ( 2.479 9.478 0.000) 9.796 9.042 ( -0.424 5.675 0.000) 5.691 9.285 ( 0.585 -5.515 0.000) 5.546 9.320 ( -0.801 -2.535 0.000) 2.659 9.827 ( 0.083 -0.125 0.000) 0.150 9.841 ( -0.397 0.706 0.000) 0.810 10.151 ( 2.876 -6.783 0.000) 7.367 10.244 ( -1.231 -8.133 0.000) 8.226 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -0.746 12.138 0.000) 12.161 1.634 ( 0.746 12.138 0.000) 12.161 1.722 ( -1.317 10.795 0.000) 10.875 1.722 ( 1.317 10.795 0.000) 10.875 2.139 ( -4.129 1.576 0.000) 4.419 2.139 ( 4.129 1.576 0.000) 4.419 2.405 ( -1.957 0.343 0.000) 1.987 2.405 ( 1.957 0.343 0.000) 1.987 2.553 ( -5.835 -1.077 0.000) 5.933 2.553 ( 5.835 -1.077 0.000) 5.933 2.731 ( -3.886 -1.416 0.000) 4.136 2.731 ( 3.886 -1.416 0.000) 4.136 2.903 ( -0.414 5.025 0.000) 5.042 2.903 ( 0.414 5.025 0.000) 5.042 3.016 ( -0.008 1.565 0.000) 1.565 3.016 ( 0.008 1.565 0.000) 1.565 3.272 ( -1.959 3.664 0.000) 4.154 3.272 ( 1.959 3.664 0.000) 4.154 3.574 ( -0.451 2.512 0.000) 2.552 3.574 ( 0.451 2.512 0.000) 2.552 3.964 ( -3.260 7.547 0.000) 8.221 3.964 ( 3.260 7.547 0.000) 8.221 4.046 ( -0.260 4.899 0.000) 4.906 4.046 ( 0.260 4.899 0.000) 4.906 6.450 ( -3.393 3.070 0.000) 4.575 6.450 ( 3.393 3.070 0.000) 4.575 6.813 ( -2.793 -3.858 0.000) 4.763 6.813 ( 2.793 -3.858 0.000) 4.763 6.924 ( -1.004 2.535 0.000) 2.727 6.924 ( 1.004 2.535 0.000) 2.727 7.173 ( -0.457 -1.375 0.000) 1.449 7.173 ( 0.457 -1.375 0.000) 1.449 7.562 ( -3.019 7.221 0.000) 7.826 7.562 ( 3.019 7.221 0.000) 7.826 7.714 ( -1.801 3.222 0.000) 3.691 7.714 ( 1.801 3.222 0.000) 3.691 7.981 ( -0.568 7.895 0.000) 7.915 7.981 ( 0.568 7.895 0.000) 7.915 8.409 ( -11.522 6.987 0.000) 13.475 8.409 ( 11.522 6.987 0.000) 13.475 9.027 ( -1.249 6.331 0.000) 6.453 9.027 ( 1.249 6.331 0.000) 6.453 9.301 ( -1.032 -3.790 0.000) 3.928 9.301 ( 1.032 -3.790 0.000) 3.928 9.832 ( -0.459 0.286 0.000) 0.541 9.832 ( 0.459 0.286 0.000) 0.541 10.207 ( -2.657 -7.643 0.000) 8.091 10.207 ( 2.657 -7.643 0.000) 8.091 ======================= Grid point 25 (16/105) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.000 11.421 0.000) 11.421 1.905 ( 0.000 12.815 0.000) 12.815 1.970 ( 0.000 4.687 0.000) 4.687 2.042 ( 0.000 0.783 0.000) 0.783 2.096 ( 0.000 -0.155 0.000) 0.155 2.134 ( 0.000 6.477 0.000) 6.477 2.231 ( 0.000 -2.304 0.000) 2.304 2.338 ( 0.000 -1.713 0.000) 1.713 2.441 ( 0.000 -1.239 0.000) 1.239 2.648 ( 0.000 -4.401 0.000) 4.401 2.649 ( 0.000 2.129 0.000) 2.129 2.814 ( 0.000 -4.024 0.000) 4.024 2.948 ( 0.000 2.121 0.000) 2.121 2.991 ( 0.000 2.376 0.000) 2.376 3.018 ( 0.000 -0.481 0.000) 0.481 3.019 ( 0.000 -0.063 0.000) 0.063 3.268 ( 0.000 -0.934 0.000) 0.934 3.357 ( 0.000 4.342 0.000) 4.342 3.430 ( 0.000 -5.878 0.000) 5.878 3.693 ( 0.000 -5.443 0.000) 5.443 3.974 ( 0.000 10.592 0.000) 10.592 4.084 ( 0.000 6.546 0.000) 6.546 4.281 ( 0.000 11.124 0.000) 11.124 4.313 ( 0.000 10.076 0.000) 10.076 6.421 ( 0.000 2.563 0.000) 2.563 6.635 ( 0.000 4.389 0.000) 4.389 6.642 ( 0.000 -5.185 0.000) 5.185 6.838 ( 0.000 -2.376 0.000) 2.376 6.961 ( 0.000 2.685 0.000) 2.685 6.961 ( 0.000 3.458 0.000) 3.458 7.132 ( 0.000 -2.696 0.000) 2.696 7.134 ( 0.000 -2.126 0.000) 2.126 7.615 ( 0.000 4.703 0.000) 4.703 7.690 ( 0.000 0.932 0.000) 0.932 7.821 ( 0.000 6.426 0.000) 6.426 7.832 ( 0.000 3.820 0.000) 3.820 8.137 ( 0.000 5.388 0.000) 5.388 8.151 ( 0.000 9.459 0.000) 9.459 8.263 ( 0.000 5.955 0.000) 5.955 8.649 ( 0.000 -5.721 0.000) 5.721 9.086 ( 0.000 -0.856 0.000) 0.856 9.155 ( 0.000 -5.989 0.000) 5.989 9.183 ( 0.000 8.229 0.000) 8.229 9.302 ( 0.000 -0.345 0.000) 0.345 9.829 ( 0.000 0.370 0.000) 0.370 9.888 ( 0.000 3.120 0.000) 3.120 9.997 ( 0.000 -5.891 0.000) 5.891 10.123 ( 0.000 -5.401 0.000) 5.401 ======================= Grid point 26 (17/105) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 1.115 10.607 0.000) 10.665 1.889 ( -1.473 11.907 0.000) 11.998 1.940 ( -2.199 6.676 0.000) 7.029 1.966 ( -5.366 6.940 0.000) 8.773 2.077 ( 2.910 -0.362 0.000) 2.933 2.198 ( -2.859 -2.105 0.000) 3.550 2.321 ( 10.357 -2.489 0.000) 10.652 2.367 ( 3.225 1.020 0.000) 3.382 2.430 ( -1.207 -1.614 0.000) 2.016 2.630 ( -2.321 1.493 0.000) 2.759 2.656 ( 0.908 -3.545 0.000) 3.659 2.765 ( -4.599 -3.602 0.000) 5.841 2.955 ( 0.741 2.178 0.000) 2.301 2.985 ( -0.555 2.335 0.000) 2.400 3.023 ( 0.366 -0.393 0.000) 0.537 3.023 ( 0.306 -0.067 0.000) 0.314 3.275 ( 0.806 -0.454 0.000) 0.925 3.337 ( -1.852 3.021 0.000) 3.543 3.461 ( 3.106 -5.761 0.000) 6.545 3.634 ( -4.922 -4.533 0.000) 6.691 4.032 ( 5.066 9.660 0.000) 10.908 4.131 ( 4.453 7.603 0.000) 8.811 4.237 ( -4.203 11.098 0.000) 11.867 4.293 ( -2.364 9.651 0.000) 9.936 6.447 ( 2.647 2.782 0.000) 3.840 6.594 ( -3.799 4.050 0.000) 5.553 6.667 ( 2.615 -4.883 0.000) 5.539 6.807 ( -3.197 -3.049 0.000) 4.418 6.968 ( 0.650 2.305 0.000) 2.395 6.970 ( 0.771 3.658 0.000) 3.739 7.136 ( 0.197 -2.061 0.000) 2.071 7.137 ( 0.315 -2.361 0.000) 2.382 7.635 ( 2.164 5.014 0.000) 5.461 7.713 ( 2.337 1.270 0.000) 2.660 7.774 ( -3.980 6.109 0.000) 7.291 7.818 ( -1.929 3.322 0.000) 3.841 8.134 ( 0.079 6.924 0.000) 6.924 8.148 ( -0.284 9.210 0.000) 9.214 8.339 ( 6.857 4.107 0.000) 7.993 8.605 ( -4.577 -3.675 0.000) 5.870 9.082 ( -0.059 -0.796 0.000) 0.798 9.142 ( -3.209 5.414 0.000) 6.293 9.184 ( 2.633 -4.684 0.000) 5.373 9.292 ( -1.563 -0.597 0.000) 1.673 9.835 ( 0.800 0.974 0.000) 1.260 9.879 ( -0.850 2.911 0.000) 3.032 10.027 ( 2.703 -5.657 0.000) 6.270 10.112 ( -1.145 -5.426 0.000) 5.545 ======================= Grid point 27 (18/105) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -1.565 9.925 0.000) 10.048 1.859 ( 1.565 9.925 0.000) 10.048 1.915 ( -0.196 9.144 0.000) 9.146 1.915 ( 0.196 9.144 0.000) 9.146 2.138 ( -3.354 -1.550 0.000) 3.694 2.138 ( 3.354 -1.550 0.000) 3.694 2.398 ( -2.081 -2.733 0.000) 3.435 2.398 ( 2.081 -2.733 0.000) 3.435 2.530 ( -8.712 0.413 0.000) 8.722 2.530 ( 8.712 0.413 0.000) 8.722 2.687 ( -2.688 -2.517 0.000) 3.683 2.687 ( 2.688 -2.517 0.000) 3.683 2.971 ( -0.840 2.283 0.000) 2.433 2.971 ( 0.840 2.283 0.000) 2.433 3.027 ( -0.017 -0.197 0.000) 0.198 3.027 ( 0.017 -0.197 0.000) 0.198 3.300 ( -1.793 0.922 0.000) 2.016 3.300 ( 1.793 0.922 0.000) 2.016 3.538 ( -4.874 -5.091 0.000) 7.048 3.538 ( 4.874 -5.091 0.000) 7.048 4.139 ( -5.823 10.464 0.000) 11.975 4.139 ( 5.823 10.464 0.000) 11.975 4.224 ( -4.720 8.774 0.000) 9.963 4.224 ( 4.720 8.774 0.000) 9.963 6.514 ( -4.235 3.366 0.000) 5.410 6.514 ( 4.235 3.366 0.000) 5.410 6.733 ( -4.091 -4.080 0.000) 5.778 6.733 ( 4.091 -4.080 0.000) 5.778 6.977 ( -0.141 2.836 0.000) 2.840 6.977 ( 0.141 2.836 0.000) 2.840 7.139 ( -0.052 -2.039 0.000) 2.040 7.139 ( 0.052 -2.039 0.000) 2.040 7.695 ( -3.967 5.666 0.000) 6.917 7.695 ( 3.967 5.666 0.000) 6.917 7.768 ( -3.074 2.151 0.000) 3.752 7.768 ( 3.074 2.151 0.000) 3.752 8.141 ( -0.490 8.416 0.000) 8.430 8.141 ( 0.490 8.416 0.000) 8.430 8.484 ( -7.741 0.639 0.000) 7.768 8.484 ( 7.741 0.639 0.000) 7.768 9.094 ( -1.565 1.334 0.000) 2.057 9.094 ( 1.565 1.334 0.000) 2.057 9.243 ( -3.280 -2.571 0.000) 4.167 9.243 ( 3.280 -2.571 0.000) 4.167 9.857 ( -1.374 2.171 0.000) 2.569 9.857 ( 1.374 2.171 0.000) 2.569 10.079 ( -2.403 -5.486 0.000) 5.989 10.079 ( 2.403 -5.486 0.000) 5.989 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.000 2.039 0.000) 2.039 2.004 ( 0.000 7.142 0.000) 7.142 2.034 ( 0.000 -1.238 0.000) 1.238 2.092 ( 0.000 -1.280 0.000) 1.280 2.178 ( 0.000 11.240 0.000) 11.240 2.183 ( 0.000 -1.616 0.000) 1.616 2.191 ( 0.000 -0.904 0.000) 0.904 2.362 ( 0.000 -6.961 0.000) 6.961 2.385 ( 0.000 6.631 0.000) 6.631 2.531 ( 0.000 -7.115 0.000) 7.115 2.694 ( 0.000 2.406 0.000) 2.406 2.745 ( 0.000 -2.844 0.000) 2.844 2.980 ( 0.000 1.277 0.000) 1.277 3.002 ( 0.000 -0.981 0.000) 0.981 3.015 ( 0.000 0.368 0.000) 0.368 3.017 ( 0.000 -0.067 0.000) 0.067 3.278 ( 0.000 1.858 0.000) 1.858 3.335 ( 0.000 -3.802 0.000) 3.802 3.440 ( 0.000 4.905 0.000) 4.905 3.558 ( 0.000 -6.865 0.000) 6.865 4.149 ( 0.000 5.842 0.000) 5.842 4.185 ( 0.000 2.158 0.000) 2.158 4.440 ( 0.000 4.430 0.000) 4.430 4.449 ( 0.000 3.426 0.000) 3.426 6.477 ( 0.000 3.147 0.000) 3.147 6.549 ( 0.000 -4.179 0.000) 4.179 6.717 ( 0.000 3.813 0.000) 3.813 6.785 ( 0.000 -3.046 0.000) 3.046 7.015 ( 0.000 3.220 0.000) 3.220 7.029 ( 0.000 2.962 0.000) 2.962 7.080 ( 0.000 -3.200 0.000) 3.200 7.081 ( 0.000 -2.477 0.000) 2.477 7.681 ( 0.000 2.003 0.000) 2.003 7.699 ( 0.000 -0.050 0.000) 0.050 7.890 ( 0.000 1.873 0.000) 1.873 7.898 ( 0.000 1.425 0.000) 1.425 8.255 ( 0.000 5.638 0.000) 5.638 8.320 ( 0.000 -0.305 0.000) 0.305 8.339 ( 0.000 9.362 0.000) 9.362 8.512 ( 0.000 -7.947 0.000) 7.947 9.052 ( 0.000 -1.437 0.000) 1.437 9.062 ( 0.000 -2.848 0.000) 2.848 9.287 ( 0.000 2.577 0.000) 2.577 9.304 ( 0.000 0.190 0.000) 0.190 9.846 ( 0.000 1.529 0.000) 1.529 9.898 ( 0.000 -3.878 0.000) 3.878 9.956 ( 0.000 3.671 0.000) 3.671 10.032 ( 0.000 -4.039 0.000) 4.039 ======================= Grid point 31 (20/105) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -0.014 3.119 0.000) 3.119 2.006 ( 0.151 7.093 0.000) 7.094 2.050 ( 1.515 -2.042 0.000) 2.543 2.083 ( -0.479 3.090 0.000) 3.127 2.144 ( -2.680 -1.477 0.000) 3.060 2.153 ( -2.367 11.034 0.000) 11.285 2.223 ( 2.627 -5.652 0.000) 6.232 2.340 ( -2.261 -7.430 0.000) 7.766 2.452 ( 6.011 5.660 0.000) 8.257 2.565 ( 3.235 -5.414 0.000) 6.307 2.667 ( -3.031 2.061 0.000) 3.666 2.708 ( -3.477 -2.225 0.000) 4.128 2.988 ( 0.684 1.209 0.000) 1.389 3.008 ( 0.516 -0.925 0.000) 1.059 3.011 ( -0.354 0.593 0.000) 0.691 3.019 ( 0.043 -0.310 0.000) 0.313 3.294 ( 1.679 2.293 0.000) 2.842 3.360 ( 2.606 -4.286 0.000) 5.016 3.405 ( -3.193 4.434 0.000) 5.464 3.514 ( -4.085 -6.323 0.000) 7.528 4.200 ( 4.880 5.764 0.000) 7.553 4.237 ( 4.825 2.103 0.000) 5.263 4.402 ( -3.808 4.907 0.000) 6.211 4.421 ( -3.070 2.944 0.000) 4.253 6.506 ( 2.996 3.253 0.000) 4.422 6.578 ( 3.019 -4.086 0.000) 5.080 6.672 ( -4.209 3.768 0.000) 5.649 6.743 ( -4.024 -3.413 0.000) 5.277 7.022 ( 0.707 3.124 0.000) 3.203 7.036 ( 0.407 2.986 0.000) 3.014 7.085 ( 0.428 -3.038 0.000) 3.068 7.089 ( 0.509 -2.487 0.000) 2.539 7.707 ( 2.658 2.216 0.000) 3.461 7.727 ( 2.770 -0.003 0.000) 2.770 7.854 ( -3.611 2.121 0.000) 4.188 7.864 ( -3.098 1.088 0.000) 3.283 8.273 ( 1.666 6.528 0.000) 6.737 8.331 ( -0.859 9.039 0.000) 9.079 8.362 ( 3.848 -1.866 0.000) 4.276 8.495 ( -1.920 -7.191 0.000) 7.443 9.063 ( 1.777 0.061 0.000) 1.778 9.101 ( 3.417 -3.477 0.000) 4.875 9.222 ( -5.270 3.195 0.000) 6.163 9.273 ( -3.780 -1.767 0.000) 4.172 9.868 ( 2.151 2.405 0.000) 3.226 9.931 ( 2.892 -4.029 0.000) 4.959 9.946 ( -1.166 3.605 0.000) 3.789 10.021 ( -1.210 -4.063 0.000) 4.239 ======================= Grid point 32 (21/105) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -0.398 5.221 0.000) 5.236 2.003 ( 0.398 5.221 0.000) 5.236 2.082 ( -1.178 -1.323 0.000) 1.772 2.082 ( 1.178 -1.323 0.000) 1.772 2.110 ( -0.903 7.671 0.000) 7.724 2.110 ( 0.903 7.671 0.000) 7.724 2.283 ( -3.431 -7.919 0.000) 8.631 2.283 ( 3.431 -7.919 0.000) 8.631 2.576 ( -6.308 3.183 0.000) 7.065 2.576 ( 6.308 3.183 0.000) 7.065 2.636 ( -3.896 -2.761 0.000) 4.776 2.636 ( 3.896 -2.761 0.000) 4.776 3.001 ( -0.667 0.954 0.000) 1.164 3.001 ( 0.667 0.954 0.000) 1.164 3.017 ( -0.293 -0.680 0.000) 0.741 3.017 ( 0.293 -0.680 0.000) 0.741 3.341 ( -3.213 3.353 0.000) 4.644 3.341 ( 3.213 3.353 0.000) 4.644 3.428 ( -4.442 -5.324 0.000) 6.934 3.428 ( 4.442 -5.324 0.000) 6.934 4.307 ( -5.837 5.493 0.000) 8.015 4.307 ( 5.837 5.493 0.000) 8.015 4.339 ( -5.342 2.331 0.000) 5.829 4.339 ( 5.342 2.331 0.000) 5.829 6.582 ( -4.783 3.525 0.000) 5.942 6.582 ( 4.783 3.525 0.000) 5.942 6.655 ( -4.783 -3.832 0.000) 6.128 6.655 ( 4.783 -3.832 0.000) 6.128 7.035 ( -0.482 2.984 0.000) 3.023 7.035 ( 0.482 2.984 0.000) 3.023 7.092 ( -0.201 -2.690 0.000) 2.698 7.092 ( 0.201 -2.690 0.000) 2.698 7.775 ( -4.275 2.422 0.000) 4.913 7.775 ( 4.275 2.422 0.000) 4.913 7.794 ( -3.964 0.355 0.000) 3.979 7.794 ( 3.964 0.355 0.000) 3.979 8.307 ( -1.681 8.030 0.000) 8.204 8.307 ( 1.681 8.030 0.000) 8.204 8.439 ( -3.820 -4.882 0.000) 6.199 8.439 ( 3.820 -4.882 0.000) 6.199 9.123 ( -4.549 2.252 0.000) 5.075 9.123 ( 4.549 2.252 0.000) 5.075 9.183 ( -5.044 -3.384 0.000) 6.074 9.183 ( 5.044 -3.384 0.000) 6.074 9.913 ( -2.255 3.286 0.000) 3.985 9.913 ( 2.255 3.286 0.000) 3.985 9.985 ( -2.514 -4.096 0.000) 4.805 9.985 ( 2.514 -4.096 0.000) 4.805 ======================= Grid point 65 (22/105) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 0.000 0.000 17.645) 17.645 0.575 ( 0.000 0.000 27.397) 27.397 0.941 ( 0.000 0.000 3.714) 3.714 0.944 ( 0.000 0.000 45.982) 45.982 1.505 ( 0.000 0.000 -8.764) 8.764 1.789 ( 0.000 0.000 -2.909) 2.909 1.977 ( 0.000 0.000 0.026) 0.026 2.067 ( 0.000 0.000 -0.763) 0.763 2.183 ( 0.000 0.000 -6.342) 6.342 2.414 ( 0.000 0.000 -6.153) 6.153 2.475 ( 0.000 0.000 -3.739) 3.739 2.477 ( 0.000 0.000 -3.853) 3.853 2.579 ( 0.000 0.000 5.062) 5.062 2.710 ( 0.000 0.000 -0.769) 0.769 2.756 ( 0.000 0.000 3.171) 3.171 2.778 ( 0.000 0.000 3.066) 3.066 3.034 ( 0.000 0.000 8.835) 8.835 3.132 ( 0.000 0.000 0.511) 0.511 3.165 ( 0.000 0.000 5.096) 5.096 3.362 ( 0.000 0.000 4.559) 4.559 3.775 ( 0.000 0.000 -12.145) 12.145 3.960 ( 0.000 0.000 -2.235) 2.235 4.245 ( 0.000 0.000 4.120) 4.120 4.493 ( 0.000 0.000 -5.286) 5.286 6.285 ( 0.000 0.000 3.813) 3.813 6.419 ( 0.000 0.000 2.649) 2.649 6.482 ( 0.000 0.000 2.542) 2.542 6.569 ( 0.000 0.000 -6.353) 6.353 6.897 ( 0.000 0.000 0.213) 0.213 6.943 ( 0.000 0.000 -3.949) 3.949 6.968 ( 0.000 0.000 -1.989) 1.989 7.075 ( 0.000 0.000 -1.032) 1.032 7.197 ( 0.000 0.000 1.597) 1.597 7.211 ( 0.000 0.000 -0.555) 0.555 7.450 ( 0.000 0.000 1.101) 1.101 7.462 ( 0.000 0.000 -5.173) 5.173 7.481 ( 0.000 0.000 -6.417) 6.417 7.488 ( 0.000 0.000 1.569) 1.569 7.608 ( 0.000 0.000 4.849) 4.849 7.822 ( 0.000 0.000 4.465) 4.465 7.842 ( 0.000 0.000 3.695) 3.695 8.644 ( 0.000 0.000 -9.608) 9.608 9.563 ( 0.000 0.000 -1.115) 1.115 9.566 ( 0.000 0.000 -2.420) 2.420 9.968 ( 0.000 0.000 7.659) 7.659 10.357 ( 0.000 0.000 -1.924) 1.924 10.418 ( 0.000 0.000 -1.530) 1.530 10.961 ( 0.000 0.000 -9.491) 9.491 ======================= Grid point 66 (23/105) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 10.586 0.000 12.530) 16.403 0.556 ( 9.692 0.000 17.001) 19.570 0.876 ( -6.665 0.000 4.561) 8.077 1.274 ( -7.716 0.000 4.523) 8.944 1.333 ( 17.692 0.000 22.775) 28.839 1.888 ( 7.134 0.000 -5.492) 9.004 1.993 ( 1.540 0.000 -0.120) 1.545 2.056 ( -1.141 0.000 -0.669) 1.322 2.137 ( -4.673 0.000 -5.846) 7.484 2.329 ( -15.516 0.000 8.727) 17.802 2.475 ( 0.029 0.000 -3.759) 3.759 2.477 ( -0.032 0.000 -3.837) 3.837 2.526 ( 3.315 0.000 -0.503) 3.353 2.758 ( -5.631 0.000 4.717) 7.346 2.759 ( 0.327 0.000 3.155) 3.172 2.775 ( -0.327 0.000 3.081) 3.098 3.003 ( 6.713 0.000 -4.533) 8.100 3.136 ( -0.484 0.000 0.268) 0.553 3.184 ( 1.764 0.000 0.878) 1.971 3.394 ( -4.560 0.000 -2.569) 5.234 3.800 ( 8.142 0.000 -0.752) 8.177 4.063 ( 4.251 0.000 -3.712) 5.643 4.230 ( 0.756 0.000 2.366) 2.483 4.458 ( -4.098 0.000 -6.028) 7.289 6.308 ( 2.383 0.000 3.673) 4.379 6.439 ( 2.299 0.000 -0.341) 2.324 6.444 ( -3.515 0.000 2.801) 4.495 6.552 ( -1.891 0.000 -5.845) 6.143 6.928 ( -1.030 0.000 -2.673) 2.865 6.931 ( 3.203 0.000 -0.042) 3.204 6.962 ( -1.697 0.000 -0.944) 1.942 7.054 ( -2.157 0.000 -0.894) 2.335 7.109 ( -2.498 0.000 5.781) 6.298 7.180 ( -3.197 0.000 1.633) 3.590 7.387 ( 1.772 0.000 1.419) 2.270 7.465 ( 0.325 0.000 -5.350) 5.359 7.476 ( -1.450 0.000 -0.003) 1.450 7.479 ( -0.238 0.000 -6.227) 6.231 7.825 ( 0.286 0.000 4.346) 4.355 7.839 ( -0.296 0.000 3.801) 3.812 7.940 ( 18.034 0.000 -5.747) 18.927 8.470 ( -13.276 0.000 -1.819) 13.400 9.554 ( 0.119 0.000 -1.684) 1.689 9.574 ( -0.180 0.000 -1.838) 1.847 9.980 ( 1.356 0.000 7.824) 7.941 10.110 ( -7.411 0.000 9.805) 12.291 10.765 ( 12.991 0.000 -18.368) 22.498 10.953 ( -1.040 0.000 -10.697) 10.748 ======================= Grid point 67 (24/105) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -10.960 0.000 7.257) 13.145 0.705 ( 10.960 0.000 7.257) 13.145 0.896 ( -21.813 0.000 -2.069) 21.911 0.896 ( 21.813 0.000 -2.069) 21.911 1.852 ( -24.994 0.000 19.719) 31.837 1.852 ( 24.994 0.000 19.719) 31.837 2.027 ( -1.851 0.000 -0.419) 1.897 2.027 ( 1.851 0.000 -0.419) 1.897 2.048 ( -5.560 0.000 -2.705) 6.183 2.048 ( 5.560 0.000 -2.705) 6.183 2.476 ( -0.044 0.000 -3.799) 3.800 2.476 ( 0.044 0.000 -3.799) 3.800 2.638 ( -6.561 0.000 0.961) 6.631 2.638 ( 6.561 0.000 0.961) 6.631 2.767 ( -0.462 0.000 3.117) 3.151 2.767 ( 0.462 0.000 3.117) 3.151 3.109 ( -2.954 0.000 -2.278) 3.730 3.109 ( 2.954 0.000 -2.278) 3.730 3.259 ( -6.717 0.000 -3.668) 7.653 3.259 ( 6.717 0.000 -3.668) 7.653 3.991 ( -9.238 0.000 2.300) 9.520 3.991 ( 9.238 0.000 2.300) 9.520 4.340 ( -7.832 0.000 -4.772) 9.171 4.340 ( 7.832 0.000 -4.772) 9.171 6.369 ( -3.930 0.000 3.289) 5.124 6.369 ( 3.930 0.000 3.289) 5.124 6.498 ( -3.507 0.000 -3.900) 5.245 6.498 ( 3.507 0.000 -3.900) 5.245 6.926 ( -1.119 0.000 -0.546) 1.245 6.926 ( 1.119 0.000 -0.546) 1.245 6.999 ( -3.543 0.000 -0.518) 3.581 6.999 ( 3.543 0.000 -0.518) 3.581 7.124 ( -2.511 0.000 2.662) 3.660 7.124 ( 2.511 0.000 2.662) 3.660 7.436 ( -2.640 0.000 0.088) 2.641 7.436 ( 2.640 0.000 0.088) 2.641 7.472 ( -0.402 0.000 -5.781) 5.795 7.472 ( 0.402 0.000 -5.781) 5.795 7.832 ( -0.414 0.000 4.066) 4.087 7.832 ( 0.414 0.000 4.066) 4.087 8.224 ( -13.145 0.000 -2.812) 13.443 8.224 ( 13.145 0.000 -2.812) 13.443 9.564 ( -0.702 0.000 -1.775) 1.908 9.564 ( 0.702 0.000 -1.775) 1.908 10.021 ( -3.099 0.000 8.538) 9.083 10.021 ( 3.099 0.000 8.538) 9.083 10.910 ( -3.994 0.000 -14.273) 14.821 10.910 ( 3.994 0.000 -14.273) 14.821 ======================= Grid point 70 (25/105) ======================= q-point: ( 0.00 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.000 9.116 20.909) 22.810 0.749 ( 0.000 16.108 19.048) 24.945 1.209 ( 0.000 29.897 27.098) 40.350 1.284 ( 0.000 27.934 3.194) 28.116 1.552 ( 0.000 5.201 -7.807) 9.381 1.762 ( 0.000 -1.575 -2.086) 2.614 1.963 ( 0.000 -0.964 0.787) 1.244 2.163 ( 0.000 2.449 -5.014) 5.580 2.215 ( 0.000 8.900 -2.305) 9.194 2.443 ( 0.000 1.537 -3.807) 4.105 2.506 ( 0.000 1.084 -3.053) 3.240 2.513 ( 0.000 3.414 -3.341) 4.777 2.568 ( 0.000 1.311 2.024) 2.411 2.693 ( 0.000 -0.987 0.293) 1.030 2.806 ( 0.000 4.168 2.035) 4.639 2.836 ( 0.000 4.790 3.916) 6.188 3.040 ( 0.000 0.971 7.990) 8.049 3.123 ( 0.000 -1.278 -0.004) 1.278 3.215 ( 0.000 7.354 4.818) 8.791 3.354 ( 0.000 -0.516 4.800) 4.827 3.747 ( 0.000 -2.467 -11.095) 11.366 3.929 ( 0.000 -2.781 -1.742) 3.281 4.208 ( 0.000 -3.590 4.505) 5.760 4.457 ( 0.000 -3.624 -5.237) 6.369 6.352 ( 0.000 0.669 -2.173) 2.273 6.412 ( 0.000 -0.206 2.102) 2.112 6.676 ( 0.000 3.757 -0.816) 3.844 6.697 ( 0.000 19.794 1.390) 19.842 6.865 ( 0.000 -1.008 -2.311) 2.521 6.924 ( 0.000 -1.607 -4.508) 4.786 6.993 ( 0.000 1.894 0.202) 1.905 7.134 ( 0.000 4.376 0.502) 4.405 7.205 ( 0.000 -0.470 -0.415) 0.627 7.294 ( 0.000 3.762 -3.654) 5.244 7.428 ( 0.000 -1.402 -0.190) 1.415 7.491 ( 0.000 3.026 -3.198) 4.403 7.537 ( 0.000 4.806 -3.802) 6.128 7.633 ( 0.000 2.543 3.953) 4.700 7.786 ( 0.000 15.944 -10.852) 19.286 7.916 ( 0.000 9.873 3.497) 10.475 7.938 ( 0.000 14.490 -4.944) 15.310 8.660 ( 0.000 1.739 -8.360) 8.539 9.532 ( 0.000 -2.914 -1.226) 3.161 9.540 ( 0.000 -2.564 -2.433) 3.534 9.951 ( 0.000 -1.569 7.002) 7.175 10.162 ( 0.000 -11.577 8.366) 14.283 10.393 ( 0.000 -2.475 -1.534) 2.912 10.868 ( 0.000 -8.765 -8.344) 12.102 ======================= Grid point 71 (26/105) ======================= q-point: ( 0.25 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 8.075 9.857 13.103) 18.277 0.900 ( 8.765 23.165 9.912) 26.678 1.216 ( -5.396 27.478 4.146) 28.308 1.299 ( -12.672 3.358 1.243) 13.168 1.473 ( 14.709 17.511 19.377) 29.974 1.867 ( 6.913 -0.497 -4.005) 8.005 1.962 ( -0.954 -1.638 2.054) 2.795 2.131 ( -4.115 1.218 -4.476) 6.201 2.208 ( -0.132 11.345 -1.397) 11.431 2.410 ( -9.528 6.490 3.124) 11.945 2.495 ( 0.333 -0.873 0.383) 1.010 2.503 ( -0.218 1.651 -3.144) 3.558 2.528 ( 2.210 3.066 -2.163) 4.354 2.716 ( -3.803 -1.616 4.699) 6.257 2.806 ( -0.668 4.178 3.343) 5.393 2.825 ( 0.601 3.588 1.186) 3.826 3.041 ( 3.859 3.965 -1.340) 5.693 3.127 ( -0.025 -0.462 0.637) 0.787 3.170 ( -0.017 -0.017 2.193) 2.193 3.389 ( -4.282 0.832 -1.985) 4.792 3.775 ( 7.748 -2.347 -0.610) 8.119 4.024 ( 3.879 -3.607 -3.296) 6.238 4.197 ( 0.909 -3.209 2.799) 4.354 4.415 ( -4.345 -3.850 -5.123) 7.742 6.359 ( 0.816 0.638 -0.859) 1.346 6.405 ( -0.796 -0.977 1.297) 1.809 6.661 ( -0.299 12.485 -0.681) 12.508 6.706 ( -0.130 12.677 -1.843) 12.811 6.886 ( 1.555 0.094 -2.156) 2.660 6.920 ( -0.137 -0.992 -3.696) 3.829 6.999 ( 0.706 1.639 0.766) 1.943 7.109 ( -3.183 5.788 0.687) 6.641 7.180 ( -1.384 1.633 -0.121) 2.144 7.256 ( -5.329 6.902 -0.175) 8.722 7.400 ( 0.215 1.226 1.128) 1.679 7.480 ( -1.849 2.286 -1.350) 3.236 7.521 ( -1.588 5.877 -2.772) 6.689 7.534 ( -0.751 4.548 -3.297) 5.667 7.854 ( 1.807 3.743 0.932) 4.259 7.890 ( -0.887 5.848 2.753) 6.525 8.105 ( 11.893 14.258 -8.112) 20.261 8.526 ( -10.928 5.135 -3.707) 12.631 9.527 ( 0.132 -2.661 -1.784) 3.206 9.545 ( -0.134 -2.794 -1.936) 3.401 9.962 ( 1.191 -1.691 7.103) 7.398 10.063 ( -4.793 -4.195 8.851) 10.904 10.612 ( 13.158 -10.952 -9.334) 19.499 10.853 ( -1.788 -9.244 -9.059) 13.066 ======================= Grid point 72 (27/105) ======================= q-point: (-0.50 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -16.750 7.299 0.445) 18.277 0.930 ( 16.750 7.299 0.445) 18.277 1.089 ( -6.092 24.912 4.567) 26.050 1.089 ( 6.092 24.912 4.567) 26.050 1.832 ( -15.613 2.485 14.644) 21.549 1.832 ( 15.613 2.485 14.644) 21.549 2.000 ( -7.410 0.463 -3.039) 8.023 2.000 ( 7.410 0.463 -3.039) 8.023 2.238 ( -4.636 12.703 1.754) 13.636 2.238 ( 4.636 12.703 1.754) 13.636 2.501 ( -0.067 1.593 -2.605) 3.054 2.501 ( 0.067 1.593 -2.605) 3.054 2.614 ( -5.562 -0.846 2.195) 6.039 2.614 ( 5.562 -0.846 2.195) 6.039 2.816 ( -0.975 4.126 1.629) 4.542 2.816 ( 0.975 4.126 1.629) 4.542 3.111 ( -1.826 0.278 -1.199) 2.202 3.111 ( 1.827 0.278 -1.199) 2.202 3.250 ( -7.741 0.349 -2.833) 8.251 3.250 ( 7.741 0.349 -2.833) 8.251 3.957 ( -8.727 -3.228 2.188) 9.558 3.957 ( 8.727 -3.228 2.188) 9.558 4.300 ( -7.376 -3.628 -3.848) 9.076 4.300 ( 7.376 -3.628 -3.848) 9.076 6.382 ( -1.451 -0.465 0.485) 1.599 6.382 ( 1.451 -0.465 0.485) 1.599 6.681 ( -1.986 13.472 -2.815) 13.905 6.681 ( 1.986 13.472 -2.815) 13.905 6.911 ( -1.123 0.586 -2.354) 2.674 6.911 ( 1.123 0.586 -2.354) 2.674 7.033 ( -3.298 4.112 1.358) 5.443 7.033 ( 3.298 4.112 1.358) 5.443 7.184 ( -1.875 4.385 1.965) 5.158 7.184 ( 1.875 4.385 1.965) 5.158 7.436 ( -2.493 0.891 -0.424) 2.681 7.436 ( 2.493 0.891 -0.424) 2.681 7.522 ( -0.600 4.502 -3.717) 5.869 7.522 ( 0.600 4.502 -3.717) 5.869 7.875 ( -0.815 4.329 2.538) 5.084 7.875 ( 0.815 4.329 2.538) 5.084 8.319 ( -10.860 8.931 -4.375) 14.726 8.319 ( 10.860 8.931 -4.375) 14.726 9.536 ( -0.654 -2.715 -1.881) 3.367 9.536 ( 0.654 -2.715 -1.881) 3.367 9.997 ( -2.539 -2.277 7.656) 8.381 9.997 ( 2.539 -2.277 7.656) 8.381 10.787 ( -5.754 -10.648 -10.660) 16.128 10.787 ( 5.754 -10.648 -10.660) 16.128 ======================= Grid point 75 (28/105) ======================= q-point: ( 0.00 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 0.000 16.031 11.190) 19.550 1.008 ( 0.000 13.472 18.955) 23.255 1.631 ( 0.000 8.171 -4.534) 9.345 1.740 ( 0.000 2.411 -1.897) 3.068 1.839 ( 0.000 21.106 2.536) 21.258 1.913 ( 0.000 14.918 2.014) 15.053 2.008 ( 0.000 20.914 8.736) 22.666 2.195 ( 0.000 3.135 -4.628) 5.590 2.438 ( 0.000 10.009 -0.541) 10.023 2.446 ( 0.000 -0.582 -0.852) 1.032 2.494 ( 0.000 -1.029 0.908) 1.372 2.591 ( 0.000 4.162 -3.473) 5.421 2.658 ( 0.000 5.724 -3.665) 6.796 2.691 ( 0.000 1.501 2.447) 2.871 2.896 ( 0.000 4.373 0.956) 4.477 2.941 ( 0.000 5.257 4.095) 6.664 3.089 ( 0.000 -1.936 -0.043) 1.936 3.103 ( 0.000 6.419 3.808) 7.463 3.356 ( 0.000 0.964 5.276) 5.363 3.440 ( 0.000 14.440 1.840) 14.557 3.683 ( 0.000 -3.892 -9.708) 10.459 3.871 ( 0.000 -2.304 -0.718) 2.413 4.107 ( 0.000 -6.479 5.082) 8.235 4.352 ( 0.000 -6.879 -4.924) 8.460 6.350 ( 0.000 -0.027 0.080) 0.084 6.423 ( 0.000 1.439 1.233) 1.895 6.718 ( 0.000 1.988 0.814) 2.148 6.845 ( 0.000 -1.146 -3.436) 3.622 6.879 ( 0.000 -2.957 -4.808) 5.644 7.016 ( 0.000 0.335 3.360) 3.376 7.139 ( 0.000 16.970 -1.121) 17.007 7.190 ( 0.000 2.541 -1.292) 2.851 7.230 ( 0.000 6.282 2.675) 6.828 7.372 ( 0.000 4.683 -2.630) 5.371 7.403 ( 0.000 -0.580 -0.196) 0.612 7.562 ( 0.000 3.785 -1.360) 4.022 7.654 ( 0.000 6.460 0.365) 6.470 7.711 ( 0.000 5.813 2.281) 6.245 7.931 ( 0.000 4.210 -0.636) 4.257 8.210 ( 0.000 18.870 1.343) 18.918 8.330 ( 0.000 18.684 -15.436) 24.235 8.720 ( 0.000 4.563 -5.326) 7.014 9.458 ( 0.000 -4.354 -1.725) 4.683 9.470 ( 0.000 -4.319 -2.384) 4.933 9.914 ( 0.000 -1.987 5.368) 5.724 9.996 ( 0.000 -5.923 6.725) 8.962 10.324 ( 0.000 -4.427 -1.553) 4.692 10.651 ( 0.000 -12.169 -5.803) 13.482 ======================= Grid point 76 (29/105) ======================= q-point: ( 0.25 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 5.301 16.571 7.361) 18.892 1.186 ( 13.356 10.166 15.553) 22.883 1.417 ( -15.355 8.004 -3.218) 17.613 1.688 ( -11.213 14.199 5.824) 19.007 1.878 ( 6.936 1.525 -3.243) 7.807 1.967 ( 3.723 16.952 1.198) 17.397 2.059 ( 3.159 21.441 5.649) 22.397 2.195 ( -0.382 7.947 -1.507) 8.098 2.441 ( 0.423 8.127 -0.631) 8.163 2.468 ( 1.618 0.845 0.245) 1.841 2.490 ( -0.374 0.453 0.508) 0.777 2.564 ( -3.353 5.652 -4.056) 7.723 2.614 ( -0.105 4.722 0.687) 4.772 2.715 ( -1.243 1.683 2.032) 2.916 2.900 ( 0.207 4.139 0.996) 4.262 2.918 ( -1.382 5.630 2.799) 6.438 3.082 ( 0.850 -0.439 0.216) 0.981 3.173 ( 4.818 4.256 1.054) 6.514 3.225 ( -5.930 7.024 3.029) 9.679 3.464 ( -5.550 7.022 -3.052) 9.456 3.718 ( 7.628 -2.745 0.126) 8.108 3.938 ( 2.169 -4.651 -2.011) 5.512 4.110 ( 2.039 -5.349 3.107) 6.513 4.312 ( -4.046 -6.497 -4.469) 8.863 6.357 ( 0.784 0.059 0.147) 0.800 6.405 ( -1.514 1.099 0.999) 2.121 6.750 ( 2.838 2.073 -0.159) 3.518 6.833 ( -1.180 -0.520 -3.557) 3.784 6.890 ( 1.195 -2.102 -3.521) 4.271 6.986 ( -2.795 0.951 1.783) 3.449 7.157 ( 1.562 11.180 0.016) 11.288 7.204 ( 0.693 2.156 0.356) 2.292 7.225 ( 0.490 9.121 0.949) 9.183 7.345 ( -2.746 2.575 -2.660) 4.609 7.435 ( 3.103 4.333 -0.294) 5.338 7.554 ( -1.116 4.346 -1.375) 4.693 7.649 ( -0.420 6.801 0.445) 6.828 7.680 ( -2.608 8.675 1.697) 9.216 7.948 ( 1.813 4.893 -0.277) 5.226 8.103 ( -6.869 15.408 -1.712) 16.957 8.425 ( 6.368 16.749 -8.807) 19.966 8.657 ( -5.577 7.992 -4.338) 10.668 9.456 ( 0.094 -4.303 -1.991) 4.742 9.471 ( -0.188 -4.527 -2.120) 5.002 9.921 ( 0.743 -2.239 5.415) 5.907 9.973 ( -1.740 -4.361 6.305) 7.861 10.421 ( 8.025 -8.329 -3.879) 12.199 10.631 ( -2.244 -12.123 -5.971) 13.699 ======================= Grid point 77 (30/105) ======================= q-point: (-0.50 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -14.500 12.179 0.106) 18.937 1.123 ( 14.500 12.179 0.106) 18.937 1.448 ( -13.723 10.089 10.655) 20.091 1.448 ( 13.723 10.089 10.655) 20.091 1.975 ( -3.158 4.559 -3.322) 6.465 1.975 ( 3.158 4.559 -3.322) 6.465 2.145 ( -5.141 19.442 4.084) 20.521 2.145 ( 5.141 19.442 4.084) 20.521 2.456 ( -1.348 5.886 0.361) 6.049 2.456 ( 1.348 5.886 0.361) 6.049 2.516 ( -1.932 2.885 -0.970) 3.605 2.516 ( 1.932 2.885 -0.970) 3.605 2.651 ( -3.772 4.068 1.947) 5.879 2.651 ( 3.772 4.068 1.947) 5.879 2.905 ( -0.407 4.369 0.933) 4.486 2.905 ( 0.407 4.369 0.933) 4.486 3.122 ( -3.368 1.056 1.059) 3.685 3.122 ( 3.368 1.056 1.059) 3.685 3.318 ( -8.200 6.981 -2.106) 10.973 3.318 ( 8.200 6.981 -2.106) 10.973 3.876 ( -7.212 -4.468 1.848) 8.683 3.876 ( 7.212 -4.468 1.848) 8.683 4.208 ( -6.520 -5.484 -2.669) 8.928 4.208 ( 6.520 -5.484 -2.669) 8.928 6.378 ( -1.311 0.455 0.475) 1.466 6.378 ( 1.311 0.455 0.475) 1.466 6.801 ( -2.249 1.135 -2.443) 3.509 6.801 ( 2.249 1.135 -2.443) 3.509 6.928 ( -2.850 -0.202 -0.764) 2.958 6.928 ( 2.850 -0.202 -0.764) 2.958 7.187 ( -1.497 5.288 1.734) 5.763 7.187 ( 1.497 5.288 1.734) 5.763 7.278 ( -3.896 6.493 -2.085) 7.854 7.278 ( 3.896 6.493 -2.085) 7.854 7.505 ( -3.826 6.498 -0.787) 7.582 7.505 ( 3.826 6.498 -0.787) 7.582 7.648 ( -0.582 8.302 0.869) 8.368 7.648 ( 0.582 8.302 0.869) 8.368 8.001 ( -3.917 8.466 -0.362) 9.335 8.001 ( 3.917 8.466 -0.362) 9.335 8.543 ( -6.155 12.973 -5.275) 15.297 8.543 ( 6.155 12.973 -5.275) 15.297 9.463 ( -0.533 -4.474 -2.067) 4.957 9.463 ( 0.533 -4.474 -2.067) 4.957 9.942 ( -1.460 -3.007 5.714) 6.620 9.942 ( 1.460 -3.007 5.714) 6.620 10.558 ( -5.696 -11.451 -5.872) 14.073 10.558 ( 5.696 -11.451 -5.872) 14.073 ======================= Grid point 80 (31/105) ======================= q-point: ( 0.00 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 17.801 4.791) 18.434 1.299 ( 0.000 15.317 10.245) 18.427 1.780 ( 0.000 7.150 -4.446) 8.420 1.782 ( 0.000 2.911 -2.828) 4.058 2.000 ( 0.000 4.435 3.218) 5.479 2.095 ( 0.000 5.679 1.888) 5.985 2.280 ( 0.000 2.545 -0.211) 2.553 2.388 ( 0.000 0.688 -0.595) 0.909 2.457 ( 0.000 -0.721 1.859) 1.994 2.566 ( 0.000 3.543 0.214) 3.549 2.642 ( 0.000 21.041 0.463) 21.047 2.672 ( 0.000 3.430 -1.431) 3.717 2.761 ( 0.000 5.193 -2.437) 5.736 2.785 ( 0.000 7.802 2.525) 8.201 2.964 ( 0.000 2.470 -0.637) 2.551 3.020 ( 0.000 1.763 2.372) 2.956 3.073 ( 0.000 2.481 2.388) 3.444 3.290 ( 0.000 9.731 -0.949) 9.777 3.390 ( 0.000 3.524 2.910) 4.571 3.604 ( 0.000 -3.410 -6.868) 7.668 3.751 ( 0.000 15.919 0.409) 15.924 3.885 ( 0.000 4.913 1.284) 5.078 3.964 ( 0.000 -7.252 5.090) 8.859 4.194 ( 0.000 -8.536 -3.899) 9.384 6.361 ( 0.000 1.201 1.497) 1.919 6.469 ( 0.000 3.118 0.330) 3.136 6.770 ( 0.000 3.182 -1.285) 3.432 6.806 ( 0.000 -4.369 -4.412) 6.209 6.823 ( 0.000 -0.896 -3.699) 3.806 7.014 ( 0.000 -0.304 4.362) 4.373 7.169 ( 0.000 -0.594 -0.996) 1.159 7.249 ( 0.000 -0.010 2.743) 2.743 7.377 ( 0.000 2.512 -3.211) 4.077 7.480 ( 0.000 6.041 -2.235) 6.441 7.583 ( 0.000 13.511 -0.212) 13.513 7.637 ( 0.000 3.921 0.771) 3.996 7.775 ( 0.000 6.256 -0.996) 6.335 7.895 ( 0.000 12.654 4.899) 13.570 7.990 ( 0.000 2.106 -1.058) 2.356 8.605 ( 0.000 19.622 0.147) 19.623 8.609 ( 0.000 8.604 -10.514) 13.586 8.855 ( 0.000 9.002 -2.622) 9.376 9.371 ( 0.000 -4.069 -2.032) 4.548 9.376 ( 0.000 -5.126 -2.008) 5.505 9.878 ( 0.000 -1.729 3.621) 4.013 9.908 ( 0.000 -2.971 4.322) 5.245 10.223 ( 0.000 -5.647 -1.546) 5.854 10.420 ( 0.000 -10.682 -3.294) 11.178 ======================= Grid point 81 (32/105) ======================= q-point: ( 0.25 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 3.063 17.534 3.359) 18.113 1.399 ( 7.940 11.666 9.940) 17.261 1.591 ( -10.194 9.190 -2.471) 13.946 1.831 ( -10.776 4.356 7.078) 13.608 1.939 ( 5.780 4.461 -3.360) 8.038 2.110 ( -1.641 4.112 -2.868) 5.276 2.352 ( 5.453 3.783 0.422) 6.651 2.399 ( 0.844 0.532 -0.268) 1.033 2.467 ( 1.486 0.123 1.044) 1.820 2.561 ( -0.575 4.959 0.112) 4.993 2.643 ( -0.050 10.132 -1.943) 10.317 2.693 ( 0.422 7.916 -3.872) 8.822 2.732 ( -0.942 9.822 1.914) 10.050 2.789 ( -0.355 6.518 2.236) 6.900 2.963 ( 0.142 2.373 -0.065) 2.378 3.003 ( -1.450 2.454 1.963) 3.461 3.098 ( 2.732 3.737 2.475) 5.249 3.264 ( -3.559 4.886 0.258) 6.050 3.410 ( 3.030 9.476 1.751) 10.101 3.576 ( -3.259 1.688 -3.293) 4.931 3.768 ( 2.052 9.952 -0.147) 10.162 3.866 ( -1.859 -1.677 0.809) 2.631 4.010 ( 4.205 -3.140 2.737) 5.919 4.168 ( -2.713 -7.504 -3.063) 8.547 6.373 ( 1.165 1.445 1.191) 2.205 6.445 ( -2.128 2.804 0.322) 3.535 6.786 ( 1.049 0.744 -2.930) 3.200 6.805 ( -0.098 -2.058 -4.557) 5.001 6.851 ( 2.974 -0.749 -1.485) 3.407 6.986 ( -2.719 -0.182 2.949) 4.015 7.184 ( 1.374 -0.631 0.329) 1.547 7.239 ( -0.998 -0.341 2.676) 2.876 7.380 ( 0.507 3.618 -3.097) 4.790 7.445 ( -2.676 7.069 -1.978) 7.813 7.613 ( 2.081 9.666 -0.609) 9.906 7.641 ( 0.331 4.551 0.505) 4.591 7.787 ( 1.247 6.959 -0.472) 7.085 7.865 ( -2.322 9.446 2.864) 10.140 8.055 ( 6.108 7.074 0.057) 9.347 8.417 ( -11.222 13.842 -3.371) 18.135 8.731 ( 4.880 13.694 -5.044) 15.388 8.841 ( -1.429 10.211 -2.961) 10.727 9.368 ( -0.144 -4.212 -2.016) 4.672 9.374 ( -0.214 -5.103 -1.976) 5.476 9.880 ( 0.247 -1.879 3.672) 4.133 9.901 ( -0.641 -2.709 4.147) 4.995 10.270 ( 4.242 -7.144 -2.235) 8.604 10.404 ( -1.732 -10.409 -3.318) 11.062 ======================= Grid point 82 (33/105) ======================= q-point: (-0.50 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -8.366 13.348 0.467) 15.760 1.381 ( 8.366 13.348 0.467) 15.760 1.611 ( -11.149 8.141 9.130) 16.551 1.611 ( 11.149 8.141 9.130) 16.551 2.045 ( -4.800 3.474 -3.727) 7.000 2.045 ( 4.800 3.474 -3.727) 7.000 2.407 ( -0.470 1.088 0.651) 1.352 2.407 ( 0.470 1.088 0.651) 1.352 2.527 ( -3.535 4.865 -0.594) 6.043 2.527 ( 3.535 4.865 -0.594) 6.043 2.653 ( -1.767 6.411 -4.582) 8.076 2.653 ( 1.767 6.411 -4.582) 8.076 2.765 ( -2.145 9.128 3.397) 9.974 2.765 ( 2.145 9.128 3.397) 9.974 2.976 ( -1.203 2.840 1.083) 3.269 2.976 ( 1.203 2.840 1.083) 3.269 3.175 ( -5.030 4.769 1.757) 7.150 3.175 ( 5.030 4.769 1.757) 7.150 3.493 ( -5.008 8.463 0.224) 9.836 3.493 ( 5.008 8.463 0.224) 9.836 3.819 ( -2.905 0.430 -0.035) 2.937 3.819 ( 2.905 0.430 -0.035) 2.937 4.097 ( -4.533 -4.839 -0.702) 6.667 4.097 ( 4.533 -4.839 -0.702) 6.667 6.404 ( -2.046 2.088 0.613) 2.987 6.404 ( 2.046 2.088 0.613) 2.987 6.800 ( -0.459 -1.128 -4.280) 4.450 6.800 ( 0.459 -1.128 -4.280) 4.450 6.921 ( -3.928 0.087 0.899) 4.031 6.921 ( 3.928 0.087 0.899) 4.031 7.213 ( -1.599 -0.666 1.975) 2.627 7.213 ( 1.599 -0.666 1.975) 2.627 7.401 ( -1.767 5.810 -2.490) 6.563 7.401 ( 1.767 5.810 -2.490) 6.563 7.640 ( -0.668 6.042 -0.224) 6.083 7.640 ( 0.668 6.042 -0.224) 6.083 7.821 ( -2.253 8.005 0.949) 8.370 7.821 ( 2.253 8.005 0.949) 8.370 8.210 ( -10.030 11.765 -0.933) 15.488 8.210 ( 10.030 11.765 -0.933) 15.488 8.801 ( -2.814 12.329 -3.906) 13.235 8.801 ( 2.814 12.329 -3.906) 13.235 9.369 ( -0.207 -4.730 -1.985) 5.133 9.369 ( 0.207 -4.730 -1.985) 5.133 9.888 ( -0.617 -2.255 3.861) 4.514 9.888 ( 0.617 -2.255 3.861) 4.514 10.352 ( -3.801 -9.313 -3.103) 10.527 10.352 ( 3.801 -9.313 -3.103) 10.527 ======================= Grid point 85 (34/105) ======================= q-point: ( 0.00 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.000 13.684 4.073) 14.278 1.600 ( 0.000 16.314 1.069) 16.349 1.852 ( 0.000 3.980 -2.916) 4.934 1.917 ( 0.000 6.760 -3.001) 7.396 2.097 ( 0.000 4.621 4.454) 6.418 2.162 ( 0.000 1.754 3.465) 3.884 2.269 ( 0.000 -2.301 0.828) 2.446 2.361 ( 0.000 -2.389 -2.287) 3.308 2.444 ( 0.000 -0.133 0.693) 0.706 2.607 ( 0.000 1.065 0.126) 1.073 2.709 ( 0.000 0.234 0.489) 0.542 2.776 ( 0.000 -0.367 -7.853) 7.861 2.912 ( 0.000 3.556 1.574) 3.889 2.926 ( 0.000 5.271 1.311) 5.432 2.996 ( 0.000 0.793 -1.722) 1.896 3.040 ( 0.000 1.016 1.832) 2.095 3.215 ( 0.000 7.472 0.951) 7.532 3.322 ( 0.000 -2.398 1.697) 2.938 3.582 ( 0.000 0.888 2.188) 2.361 3.584 ( 0.000 9.888 -5.199) 11.171 3.830 ( 0.000 -1.257 0.266) 1.284 4.020 ( 0.000 0.150 -2.034) 2.040 4.077 ( 0.000 14.352 1.319) 14.412 4.095 ( 0.000 7.563 2.952) 8.119 6.394 ( 0.000 1.975 1.748) 2.637 6.541 ( 0.000 3.969 -0.530) 4.004 6.713 ( 0.000 -4.841 -3.361) 5.894 6.797 ( 0.000 -0.735 -5.000) 5.054 6.852 ( 0.000 3.923 -1.541) 4.215 7.009 ( 0.000 -0.131 4.251) 4.253 7.154 ( 0.000 -1.014 -1.037) 1.450 7.211 ( 0.000 -3.016 2.205) 3.736 7.461 ( 0.000 5.433 -3.863) 6.666 7.591 ( 0.000 4.462 -3.520) 5.683 7.728 ( 0.000 5.532 2.716) 6.163 7.757 ( 0.000 5.221 1.213) 5.360 7.926 ( 0.000 8.965 -3.486) 9.619 8.032 ( 0.000 2.653 -2.317) 3.522 8.149 ( 0.000 11.275 5.095) 12.373 8.689 ( 0.000 0.350 -3.603) 3.620 8.943 ( 0.000 13.785 -1.045) 13.825 9.017 ( 0.000 5.802 -2.768) 6.428 9.274 ( 0.000 -4.850 -0.621) 4.890 9.309 ( 0.000 -1.995 -1.752) 2.655 9.846 ( 0.000 -1.153 1.818) 2.153 9.882 ( 0.000 0.155 3.113) 3.117 10.105 ( 0.000 -6.116 -1.334) 6.260 10.239 ( 0.000 -7.578 -1.596) 7.744 ======================= Grid point 86 (35/105) ======================= q-point: ( 0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 1.107 15.347 1.193) 15.433 1.635 ( 2.963 11.858 3.626) 12.749 1.769 ( -4.738 8.674 -0.947) 9.929 1.920 ( -6.877 4.818 4.549) 9.550 2.024 ( 2.812 3.393 -1.385) 4.620 2.177 ( -2.596 2.294 -2.206) 4.107 2.350 ( 4.978 -1.163 1.658) 5.374 2.388 ( 2.601 -1.151 -2.512) 3.795 2.455 ( 2.440 -1.142 1.457) 3.063 2.605 ( -0.496 0.776 0.197) 0.941 2.698 ( -0.853 0.082 -0.728) 1.124 2.750 ( -2.763 -0.640 -6.028) 6.661 2.914 ( 0.223 3.848 1.595) 4.172 2.924 ( -0.168 5.128 1.368) 5.310 3.004 ( 0.747 1.286 -0.891) 1.733 3.035 ( -0.559 1.181 1.500) 1.989 3.231 ( 1.651 5.909 0.340) 6.145 3.313 ( -1.233 -0.536 1.304) 1.873 3.558 ( -0.159 6.327 -2.409) 6.772 3.603 ( -0.031 -1.267 1.322) 1.831 3.854 ( 2.482 4.229 -2.111) 5.338 4.008 ( -3.727 6.359 -0.807) 7.415 4.052 ( 1.313 7.091 1.657) 7.399 4.110 ( -0.059 7.860 2.655) 8.297 6.410 ( 1.704 2.254 1.349) 3.131 6.511 ( -2.749 3.662 -0.276) 4.588 6.726 ( 1.368 -4.245 -3.629) 5.750 6.788 ( -1.038 -1.250 -4.824) 5.091 6.884 ( 2.853 3.170 -0.905) 4.360 6.987 ( -2.056 0.341 2.983) 3.639 7.165 ( 0.980 -1.322 -0.169) 1.654 7.204 ( -0.728 -2.639 1.902) 3.334 7.477 ( 1.629 5.712 -3.666) 6.980 7.571 ( -2.100 5.640 -3.489) 6.957 7.725 ( 0.126 4.303 2.603) 5.031 7.753 ( -0.512 4.570 1.052) 4.717 7.938 ( 1.193 8.496 -2.687) 8.991 8.003 ( -2.040 5.484 -0.816) 5.907 8.235 ( 7.768 9.222 2.606) 12.336 8.596 ( -8.516 4.234 -1.933) 9.705 8.969 ( 1.901 10.008 -1.939) 10.370 9.013 ( -0.427 5.985 -2.711) 6.585 9.276 ( 0.315 -4.558 -0.965) 4.669 9.304 ( -0.625 -2.053 -1.523) 2.631 9.848 ( 0.346 -1.005 2.010) 2.273 9.875 ( -0.711 -0.015 2.873) 2.959 10.136 ( 2.761 -6.415 -1.448) 7.133 10.227 ( -1.268 -7.463 -1.633) 7.744 ======================= Grid point 87 (36/105) ======================= q-point: (-0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -2.838 12.332 0.479) 12.664 1.637 ( 2.838 12.332 0.479) 12.664 1.780 ( -6.057 8.569 5.240) 11.729 1.780 ( 6.057 8.569 5.240) 11.729 2.105 ( -4.466 2.106 -2.906) 5.729 2.105 ( 4.466 2.106 -2.906) 5.729 2.397 ( -1.220 -0.490 -0.771) 1.524 2.397 ( 1.220 -0.490 -0.771) 1.524 2.558 ( -5.289 -0.609 -0.422) 5.340 2.558 ( 5.289 -0.609 -0.422) 5.340 2.699 ( -1.530 -0.299 -2.235) 2.725 2.699 ( 1.530 -0.299 -2.235) 2.725 2.919 ( -0.314 4.596 1.501) 4.845 2.919 ( 0.314 4.596 1.501) 4.845 3.020 ( -0.908 1.465 0.491) 1.792 3.020 ( 0.908 1.465 0.491) 1.792 3.273 ( -2.597 2.966 0.191) 3.946 3.273 ( 2.597 2.966 0.191) 3.946 3.581 ( -1.901 0.364 -0.006) 1.936 3.581 ( 1.901 0.364 -0.006) 1.936 3.922 ( -4.519 8.526 -1.838) 9.823 3.922 ( 4.519 8.526 -1.838) 9.823 4.090 ( -1.925 5.778 2.535) 6.597 4.090 ( 1.925 5.778 2.535) 6.597 6.455 ( -2.856 2.941 0.467) 4.126 6.455 ( 2.856 2.941 0.467) 4.126 6.759 ( -1.893 -2.778 -4.223) 5.398 6.759 ( 1.893 -2.778 -4.223) 5.398 6.940 ( -2.840 1.682 0.745) 3.384 6.940 ( 2.840 1.682 0.745) 3.384 7.186 ( -1.136 -1.942 1.075) 2.494 7.186 ( 1.136 -1.942 1.075) 2.494 7.521 ( -2.847 6.208 -3.367) 7.615 7.521 ( 2.847 6.208 -3.367) 7.615 7.738 ( -0.995 3.739 1.611) 4.191 7.738 ( 0.995 3.739 1.611) 4.191 7.967 ( -1.779 7.425 -1.272) 7.741 7.967 ( 1.779 7.425 -1.272) 7.741 8.411 ( -10.237 7.584 0.361) 12.746 8.411 ( 10.237 7.584 0.361) 12.746 8.998 ( -1.167 6.968 -2.531) 7.504 8.998 ( 1.167 6.968 -2.531) 7.504 9.288 ( -0.890 -3.211 -1.302) 3.578 9.288 ( 0.890 -3.211 -1.302) 3.578 9.860 ( -0.788 -0.487 2.430) 2.600 9.860 ( 0.788 -0.487 2.430) 2.600 10.190 ( -2.610 -7.045 -1.623) 7.687 10.190 ( 2.610 -7.045 -1.623) 7.687 ======================= Grid point 90 (37/105) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 0.000 10.347 0.772) 10.376 1.887 ( 0.000 11.379 -1.622) 11.494 1.938 ( 0.000 5.668 -1.690) 5.915 2.031 ( 0.000 3.812 -0.532) 3.849 2.170 ( 0.000 -0.659 5.485) 5.524 2.174 ( 0.000 3.390 3.108) 4.599 2.224 ( 0.000 -1.982 -0.675) 2.094 2.310 ( 0.000 -1.984 -2.529) 3.215 2.441 ( 0.000 -0.944 -0.103) 0.950 2.611 ( 0.000 -1.351 -1.048) 1.710 2.690 ( 0.000 -1.271 1.548) 2.003 2.740 ( 0.000 -2.275 -6.291) 6.690 2.951 ( 0.000 1.272 0.788) 1.496 2.995 ( 0.000 0.813 -1.490) 1.697 3.001 ( 0.000 1.097 0.266) 1.129 3.050 ( 0.000 0.020 2.104) 2.104 3.278 ( 0.000 0.898 -4.218) 4.313 3.279 ( 0.000 -1.278 0.897) 1.561 3.534 ( 0.000 -4.728 5.964) 7.611 3.628 ( 0.000 -4.294 -5.584) 7.044 3.969 ( 0.000 11.388 -0.201) 11.390 4.077 ( 0.000 6.930 -0.577) 6.954 4.315 ( 0.000 10.289 2.765) 10.654 4.324 ( 0.000 10.091 1.054) 10.146 6.436 ( 0.000 2.258 1.384) 2.648 6.611 ( 0.000 -0.590 -1.897) 1.987 6.630 ( 0.000 0.227 -1.368) 1.387 6.779 ( 0.000 -1.145 -4.431) 4.576 6.933 ( 0.000 3.999 -1.983) 4.464 7.014 ( 0.000 0.726 3.214) 3.295 7.125 ( 0.000 -2.049 -0.914) 2.244 7.147 ( 0.000 -3.190 1.284) 3.439 7.567 ( 0.000 4.851 -4.153) 6.386 7.650 ( 0.000 1.751 -3.114) 3.572 7.828 ( 0.000 2.478 -0.724) 2.582 7.831 ( 0.000 3.848 0.107) 3.849 8.115 ( 0.000 9.853 -2.465) 10.157 8.116 ( 0.000 6.092 -1.825) 6.360 8.314 ( 0.000 5.354 4.032) 6.702 8.641 ( 0.000 -4.822 -0.469) 4.845 9.070 ( 0.000 0.135 -1.453) 1.459 9.096 ( 0.000 -0.026 -3.228) 3.228 9.235 ( 0.000 2.920 2.469) 3.824 9.293 ( 0.000 0.158 -0.867) 0.881 9.836 ( 0.000 0.043 0.710) 0.711 9.908 ( 0.000 2.244 1.777) 2.862 9.987 ( 0.000 -5.619 -0.894) 5.689 10.116 ( 0.000 -5.065 -0.711) 5.115 ======================= Grid point 91 (38/105) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.978 9.598 0.638) 9.668 1.877 ( -0.894 11.063 -1.069) 11.151 1.927 ( -0.540 7.480 -0.019) 7.500 2.023 ( -5.470 5.805 3.675) 8.782 2.062 ( 1.692 0.530 -0.498) 1.841 2.181 ( -3.379 -1.703 -1.602) 4.109 2.333 ( 4.586 -4.429 -0.731) 6.417 2.356 ( 5.946 1.568 0.022) 6.149 2.438 ( 0.673 -0.849 0.927) 1.426 2.607 ( -0.820 -0.634 -1.085) 1.500 2.680 ( -0.815 -1.313 0.785) 1.733 2.710 ( -2.922 -2.559 -4.217) 5.733 2.960 ( 0.854 1.516 0.704) 1.877 2.993 ( -0.509 2.237 0.405) 2.330 3.010 ( 1.053 -0.411 -0.941) 1.471 3.046 ( -0.476 -0.024 1.676) 1.742 3.275 ( 0.480 0.190 -1.032) 1.154 3.296 ( 0.725 0.006 -1.577) 1.736 3.513 ( -1.380 -5.554 3.100) 6.508 3.582 ( -3.865 -4.155 -4.717) 7.379 4.026 ( 5.228 11.110 -0.071) 12.279 4.125 ( 3.999 7.918 -0.224) 8.873 4.269 ( -3.638 10.346 2.378) 11.222 4.312 ( -2.059 9.205 1.689) 9.582 6.458 ( 2.243 2.509 1.016) 3.515 6.585 ( -3.220 3.649 -0.879) 4.946 6.643 ( 2.170 -3.928 -2.202) 4.999 6.757 ( -2.312 -1.861 -3.973) 4.959 6.952 ( 1.653 3.478 -1.476) 4.124 7.002 ( -0.974 1.246 2.170) 2.685 7.130 ( 0.501 -2.228 -0.556) 2.350 7.148 ( -0.095 -2.887 0.931) 3.034 7.588 ( 2.113 5.162 -4.083) 6.912 7.659 ( 0.413 3.095 -3.807) 4.923 7.796 ( -2.249 2.648 0.689) 3.542 7.815 ( -1.572 1.964 -0.597) 2.586 8.112 ( 0.591 8.490 -1.659) 8.671 8.134 ( 0.417 8.479 -1.349) 8.596 8.368 ( 5.415 3.790 2.640) 7.117 8.602 ( -4.158 -3.115 -0.145) 5.197 9.064 ( -0.010 0.188 -1.557) 1.569 9.105 ( -0.331 3.008 -2.367) 3.842 9.209 ( -0.530 -1.534 1.188) 2.011 9.288 ( -1.438 -0.038 -0.444) 1.505 9.844 ( 1.005 0.555 0.905) 1.462 9.897 ( -1.043 2.117 1.548) 2.822 10.019 ( 2.743 -5.321 -0.795) 6.039 10.105 ( -1.176 -5.079 -0.737) 5.265 ======================= Grid point 92 (39/105) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -1.010 9.552 -0.083) 9.606 1.859 ( 1.010 9.552 -0.083) 9.606 1.942 ( -2.556 8.139 2.646) 8.932 1.942 ( 2.556 8.139 2.646) 8.932 2.115 ( -3.386 -0.980 -1.870) 3.991 2.115 ( 3.386 -0.980 -1.870) 3.991 2.382 ( -1.812 -2.169 -1.466) 3.184 2.382 ( 1.812 -2.169 -1.466) 3.184 2.541 ( -6.636 -0.006 0.183) 6.639 2.541 ( 6.636 -0.006 0.183) 6.639 2.671 ( -0.317 -2.040 -0.796) 2.213 2.671 ( 0.317 -2.040 -0.796) 2.213 2.978 ( -0.965 1.930 0.600) 2.240 2.978 ( 0.965 1.930 0.600) 2.240 3.031 ( -1.059 -0.210 0.426) 1.161 3.031 ( 1.059 -0.210 0.426) 1.161 3.293 ( -0.978 0.450 -0.639) 1.252 3.293 ( 0.978 0.450 -0.639) 1.252 3.518 ( -2.220 -5.443 -2.128) 6.251 3.518 ( 2.220 -5.443 -2.128) 6.251 4.132 ( -4.802 11.321 0.107) 12.297 4.132 ( 4.802 11.321 0.107) 12.297 4.254 ( -3.258 8.086 2.141) 8.977 4.254 ( 3.258 8.086 2.141) 8.977 6.515 ( -3.640 3.128 0.113) 4.801 6.515 ( 3.640 3.128 0.113) 4.801 6.699 ( -3.412 -3.126 -2.959) 5.493 6.699 ( 3.412 -3.126 -2.959) 5.493 6.981 ( -1.301 2.371 0.052) 2.705 6.981 ( 1.301 2.371 0.052) 2.705 7.141 ( -0.558 -2.514 0.184) 2.582 7.141 ( 0.558 -2.514 0.184) 2.582 7.638 ( -2.605 5.432 -4.261) 7.379 7.638 ( 2.605 5.432 -4.261) 7.379 7.784 ( -1.155 1.001 0.419) 1.585 7.784 ( 1.155 1.001 0.419) 1.585 8.128 ( -0.821 8.837 -1.021) 8.934 8.128 ( 0.821 8.837 -1.021) 8.934 8.492 ( -6.922 0.604 0.867) 7.002 8.492 ( 6.922 0.604 0.867) 7.002 9.079 ( -1.513 2.102 -1.329) 2.911 9.079 ( 1.513 2.102 -1.329) 2.911 9.241 ( -2.936 -2.110 -0.320) 3.630 9.241 ( 2.936 -2.110 -0.320) 3.630 9.871 ( -1.585 1.578 1.246) 2.560 9.871 ( 1.585 1.578 1.246) 2.560 10.071 ( -2.422 -5.130 -0.772) 5.725 10.071 ( 2.422 -5.130 -0.772) 5.725 ======================= Grid point 95 (40/105) ======================= q-point: ( 0.00 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.000 3.365 -0.140) 3.368 1.999 ( 0.000 6.604 -0.407) 6.617 2.052 ( 0.000 -0.723 1.570) 1.728 2.091 ( 0.000 2.787 -1.463) 3.148 2.142 ( 0.000 -0.621 -0.653) 0.901 2.185 ( 0.000 -2.234 -0.811) 2.377 2.225 ( 0.000 3.866 2.295) 4.496 2.319 ( 0.000 -1.171 -2.330) 2.608 2.416 ( 0.000 2.137 1.597) 2.668 2.529 ( 0.000 -6.243 0.036) 6.243 2.691 ( 0.000 0.869 -0.450) 0.979 2.709 ( 0.000 -0.989 -3.150) 3.301 2.969 ( 0.000 0.701 -0.348) 0.782 2.983 ( 0.000 -0.764 -1.402) 1.597 3.030 ( 0.000 0.993 1.002) 1.411 3.044 ( 0.000 -0.528 1.750) 1.828 3.278 ( 0.000 0.900 -0.231) 0.930 3.291 ( 0.000 0.138 -3.344) 3.347 3.470 ( 0.000 -0.611 1.782) 1.884 3.521 ( 0.000 -5.039 -3.251) 5.997 4.153 ( 0.000 5.962 0.515) 5.984 4.186 ( 0.000 2.521 0.162) 2.526 4.459 ( 0.000 3.908 1.732) 4.275 4.462 ( 0.000 3.583 1.190) 3.775 6.484 ( 0.000 2.610 0.617) 2.682 6.542 ( 0.000 -3.381 -0.589) 3.432 6.695 ( 0.000 3.228 -2.058) 3.829 6.748 ( 0.000 -2.084 -3.236) 3.849 7.006 ( 0.000 3.406 -1.260) 3.632 7.042 ( 0.000 2.141 1.341) 2.526 7.071 ( 0.000 -3.191 -0.590) 3.245 7.091 ( 0.000 -2.615 0.412) 2.647 7.641 ( 0.000 2.459 -3.549) 4.318 7.666 ( 0.000 -0.146 -2.882) 2.885 7.863 ( 0.000 1.157 -2.693) 2.931 7.871 ( 0.000 0.549 -2.794) 2.848 8.248 ( 0.000 6.097 -0.524) 6.119 8.288 ( 0.000 5.218 -1.608) 5.461 8.376 ( 0.000 3.149 2.251) 3.871 8.512 ( 0.000 -7.800 0.101) 7.800 9.053 ( 0.000 -1.035 0.044) 1.036 9.056 ( 0.000 -1.644 -0.515) 1.723 9.298 ( 0.000 1.809 0.900) 2.021 9.305 ( 0.000 0.662 -0.019) 0.662 9.847 ( 0.000 1.261 0.171) 1.273 9.894 ( 0.000 -3.586 -0.356) 3.604 9.963 ( 0.000 3.157 0.558) 3.206 10.030 ( 0.000 -3.742 -0.156) 3.745 ======================= Grid point 96 (41/105) ======================= q-point: ( 0.25 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -0.107 4.741 -0.330) 4.753 2.007 ( 0.105 5.166 -0.367) 5.180 2.045 ( -0.061 -0.810 -0.088) 0.817 2.083 ( -0.133 3.022 -0.266) 3.036 2.124 ( -1.424 0.677 -1.005) 1.869 2.177 ( -3.241 7.416 1.533) 8.238 2.226 ( 3.008 -5.949 0.084) 6.667 2.327 ( -0.950 -5.823 -0.995) 5.983 2.463 ( 5.152 4.273 0.961) 6.762 2.558 ( 2.728 -4.412 -0.401) 5.203 2.667 ( -2.708 0.315 -0.180) 2.733 2.679 ( -2.719 -0.747 -2.481) 3.756 2.981 ( 1.108 0.766 -0.170) 1.357 2.995 ( 1.164 -0.777 -0.921) 1.675 3.023 ( -0.708 0.988 0.813) 1.462 3.039 ( -0.642 -0.616 1.372) 1.636 3.290 ( 1.384 1.521 -0.537) 2.125 3.310 ( 1.794 0.444 -3.300) 3.783 3.432 ( -3.203 -1.442 1.048) 3.665 3.478 ( -3.898 -4.964 -3.215) 7.084 4.207 ( 5.120 5.930 0.757) 7.871 4.240 ( 5.021 2.537 0.417) 5.641 4.419 ( -3.835 4.425 1.553) 6.058 4.435 ( -3.093 2.874 1.299) 4.418 6.510 ( 2.654 2.749 0.309) 3.834 6.569 ( 2.719 -3.292 -0.847) 4.353 6.656 ( -3.657 3.252 -1.503) 5.119 6.714 ( -3.352 -2.546 -2.623) 4.959 7.017 ( 0.923 3.057 -1.085) 3.372 7.039 ( -0.224 2.339 0.664) 2.442 7.078 ( 0.539 -2.858 -0.649) 2.980 7.093 ( 0.013 -2.715 0.149) 2.719 7.668 ( 2.769 2.751 -3.454) 5.212 7.693 ( 2.626 0.295 -2.979) 3.982 7.830 ( -3.436 0.916 -2.508) 4.351 7.836 ( -2.988 0.271 -2.691) 4.031 8.268 ( 1.801 6.956 -0.387) 7.196 8.310 ( 1.133 7.418 -1.275) 7.611 8.387 ( 1.664 -0.748 1.725) 2.511 8.495 ( -1.885 -7.184 0.105) 7.428 9.063 ( 1.850 0.586 -0.036) 1.941 9.096 ( 3.331 -2.273 -0.395) 4.052 9.230 ( -5.243 2.546 0.587) 5.858 9.275 ( -3.857 -1.582 0.174) 4.173 9.870 ( 2.231 2.100 0.247) 3.074 9.927 ( 2.798 -3.457 -0.346) 4.460 9.952 ( -1.080 2.846 0.551) 3.093 10.019 ( -1.234 -3.769 -0.177) 3.970 ======================= Grid point 97 (42/105) ======================= q-point: (-0.50 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -0.515 4.847 -0.522) 4.902 1.997 ( 0.515 4.847 -0.522) 4.902 2.068 ( -1.784 -1.942 -1.112) 2.861 2.068 ( 1.784 -1.942 -1.112) 2.861 2.124 ( -1.909 8.164 1.136) 8.461 2.124 ( 1.909 8.164 1.136) 8.461 2.286 ( -2.987 -7.136 -0.028) 7.736 2.286 ( 2.987 -7.136 -0.028) 7.736 2.573 ( -5.168 2.637 -0.397) 5.815 2.573 ( 5.168 2.637 -0.397) 5.815 2.626 ( -2.522 -2.515 -0.667) 3.623 2.626 ( 2.522 -2.515 -0.667) 3.623 3.005 ( -1.236 0.907 0.302) 1.562 3.005 ( 1.236 0.907 0.302) 1.562 3.020 ( -1.264 -0.750 0.315) 1.503 3.020 ( 1.264 -0.750 0.315) 1.503 3.325 ( -1.509 3.003 -1.471) 3.669 3.325 ( 1.509 3.003 -1.471) 3.669 3.408 ( -2.272 -5.180 -1.999) 5.999 3.408 ( 2.272 -5.180 -1.999) 5.999 4.313 ( -4.058 6.088 0.739) 7.353 4.313 ( 4.058 6.088 0.739) 7.353 4.356 ( -3.545 1.725 1.458) 4.204 4.356 ( 3.545 1.725 1.458) 4.204 6.577 ( -4.205 3.080 -0.510) 5.237 6.577 ( 4.205 3.080 -0.510) 5.237 6.638 ( -4.209 -3.081 -1.567) 5.446 6.638 ( 4.209 -3.081 -1.567) 5.446 7.032 ( -0.584 2.746 -0.407) 2.837 7.032 ( 0.584 2.746 -0.407) 2.837 7.088 ( -0.485 -2.816 -0.414) 2.888 7.088 ( 0.485 -2.816 -0.414) 2.888 7.729 ( -1.903 3.644 -3.740) 5.558 7.729 ( 1.903 3.644 -3.740) 5.558 7.779 ( -1.373 -1.445 -1.950) 2.789 7.779 ( 1.373 -1.445 -1.950) 2.789 8.303 ( -1.537 8.386 -0.288) 8.530 8.303 ( 1.537 8.386 -0.288) 8.530 8.442 ( -3.427 -5.259 0.356) 6.288 8.442 ( 3.427 -5.259 0.356) 6.288 9.122 ( -3.963 2.795 -0.082) 4.850 9.122 ( 3.963 2.795 -0.082) 4.850 9.186 ( -4.441 -3.321 0.216) 5.550 9.186 ( 4.441 -3.321 0.216) 5.550 9.917 ( -2.313 2.906 0.368) 3.733 9.917 ( 2.313 2.906 0.368) 3.733 9.983 ( -2.528 -3.818 -0.209) 4.584 9.983 ( 2.528 -3.818 -0.209) 4.584 ======================= Grid point 130 (43/105) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.000 0.000 14.680) 14.680 1.032 ( 0.000 0.000 4.678) 4.678 1.099 ( 0.000 0.000 24.014) 24.014 1.319 ( 0.000 0.000 -7.747) 7.747 1.751 ( 0.000 0.000 -0.398) 0.398 1.848 ( 0.000 0.000 42.301) 42.301 1.978 ( 0.000 0.000 0.079) 0.079 2.013 ( 0.000 0.000 -9.028) 9.028 2.045 ( 0.000 0.000 -1.363) 1.363 2.274 ( 0.000 0.000 -7.135) 7.135 2.393 ( 0.000 0.000 -4.107) 4.107 2.393 ( 0.000 0.000 -3.994) 3.994 2.677 ( 0.000 0.000 3.650) 3.650 2.744 ( 0.000 0.000 3.068) 3.068 2.822 ( 0.000 0.000 3.080) 3.080 2.841 ( 0.000 0.000 2.800) 2.800 3.079 ( 0.000 0.000 -7.459) 7.459 3.181 ( 0.000 0.000 5.359) 5.359 3.261 ( 0.000 0.000 3.149) 3.149 3.504 ( 0.000 0.000 8.943) 8.943 3.581 ( 0.000 0.000 -3.855) 3.855 3.904 ( 0.000 0.000 -3.139) 3.139 4.283 ( 0.000 0.000 -0.558) 0.558 4.325 ( 0.000 0.000 -11.183) 11.183 6.394 ( 0.000 0.000 6.715) 6.715 6.439 ( 0.000 0.000 -5.340) 5.340 6.479 ( 0.000 0.000 2.570) 2.570 6.553 ( 0.000 0.000 4.277) 4.277 6.844 ( 0.000 0.000 -4.917) 4.917 6.901 ( 0.000 0.000 0.170) 0.170 6.923 ( 0.000 0.000 -2.350) 2.350 7.042 ( 0.000 0.000 -2.383) 2.383 7.198 ( 0.000 0.000 -0.677) 0.677 7.223 ( 0.000 0.000 0.645) 0.645 7.340 ( 0.000 0.000 -6.921) 6.921 7.343 ( 0.000 0.000 -6.037) 6.037 7.476 ( 0.000 0.000 1.411) 1.411 7.518 ( 0.000 0.000 1.168) 1.168 7.736 ( 0.000 0.000 7.248) 7.248 7.908 ( 0.000 0.000 3.750) 3.750 7.918 ( 0.000 0.000 3.417) 3.417 8.428 ( 0.000 0.000 -10.788) 10.788 9.506 ( 0.000 0.000 -3.150) 3.150 9.522 ( 0.000 0.000 -2.588) 2.588 10.124 ( 0.000 0.000 6.721) 6.721 10.311 ( 0.000 0.000 -2.281) 2.281 10.374 ( 0.000 0.000 -2.724) 2.724 10.726 ( 0.000 0.000 -12.352) 12.352 ======================= Grid point 131 (44/105) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 5.278 0.000 12.663) 13.720 0.988 ( -4.482 0.000 5.797) 7.328 1.018 ( -4.410 0.000 24.014) 24.416 1.214 ( -9.737 0.000 0.827) 9.772 1.775 ( 2.693 0.000 -5.042) 5.716 1.920 ( -1.189 0.000 0.588) 1.326 1.989 ( 1.135 0.000 -0.186) 1.150 2.037 ( -0.859 0.000 -1.193) 1.470 2.087 ( 13.690 0.000 25.254) 28.726 2.368 ( 8.111 0.000 -4.799) 9.424 2.393 ( 0.004 0.000 -4.083) 4.083 2.393 ( -0.010 0.000 -4.017) 4.017 2.612 ( -5.242 0.000 6.773) 8.564 2.789 ( -1.528 0.000 -0.951) 1.800 2.825 ( 0.269 0.000 3.036) 3.048 2.838 ( -0.275 0.000 2.838) 2.852 2.999 ( -3.797 0.000 -1.871) 4.233 3.171 ( -3.157 0.000 6.287) 7.035 3.224 ( -1.179 0.000 2.731) 2.975 3.324 ( -7.527 0.000 -1.655) 7.707 3.818 ( 13.444 0.000 1.584) 13.537 3.981 ( 6.304 0.000 -3.823) 7.372 4.242 ( -3.889 0.000 -2.267) 4.502 4.290 ( -3.556 0.000 -9.919) 10.537 6.413 ( 1.952 0.000 6.448) 6.737 6.434 ( -0.331 0.000 -3.926) 3.940 6.461 ( -1.496 0.000 0.598) 1.611 6.523 ( -2.806 0.000 4.780) 5.542 6.853 ( 1.099 0.000 -4.132) 4.276 6.919 ( -0.889 0.000 -2.675) 2.819 6.928 ( 2.496 0.000 -0.340) 2.519 7.025 ( -1.712 0.000 -2.088) 2.700 7.169 ( -0.623 0.000 1.277) 1.421 7.238 ( -1.132 0.000 2.829) 3.048 7.341 ( 0.076 0.000 -6.775) 6.775 7.343 ( -0.004 0.000 -6.209) 6.209 7.426 ( -1.772 0.000 2.195) 2.821 7.482 ( -1.770 0.000 0.588) 1.865 7.910 ( 0.134 0.000 3.706) 3.708 7.915 ( 13.297 0.000 1.372) 13.367 7.916 ( -0.140 0.000 3.470) 3.473 8.348 ( -7.861 0.000 -7.968) 11.193 9.506 ( 0.266 0.000 -2.737) 2.750 9.524 ( -0.085 0.000 -2.759) 2.761 10.135 ( 1.229 0.000 6.414) 6.531 10.239 ( -4.057 0.000 3.324) 5.245 10.486 ( 7.579 0.000 -9.916) 12.481 10.699 ( -2.868 0.000 -12.789) 13.107 ======================= Grid point 132 (45/105) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -6.740 0.000 8.820) 11.100 0.877 ( 6.740 0.000 8.820) 11.100 1.037 ( -6.683 0.000 14.427) 15.899 1.037 ( 6.683 0.000 14.427) 15.899 1.848 ( -4.616 0.000 -8.400) 9.584 1.848 ( 4.616 0.000 -8.400) 9.584 2.015 ( -1.385 0.000 -0.735) 1.568 2.015 ( 1.385 0.000 -0.735) 1.568 2.380 ( -12.517 0.000 21.373) 24.769 2.380 ( 12.517 0.000 21.373) 24.769 2.393 ( -0.014 0.000 -4.050) 4.050 2.393 ( 0.014 0.000 -4.050) 4.050 2.616 ( -10.431 0.000 -3.338) 10.952 2.616 ( 10.431 0.000 -3.338) 10.952 2.831 ( -0.385 0.000 2.935) 2.960 2.831 ( 0.385 0.000 2.935) 2.960 3.060 ( -6.623 0.000 0.001) 6.623 3.060 ( 6.623 0.000 0.001) 6.623 3.242 ( -2.256 0.000 1.450) 2.682 3.242 ( 2.256 0.000 1.450) 2.682 4.018 ( -5.949 0.000 -0.242) 5.953 4.018 ( 5.949 0.000 -0.242) 5.953 4.210 ( -3.235 0.000 -7.688) 8.341 4.210 ( 3.235 0.000 -7.688) 8.341 6.437 ( -0.806 0.000 -1.983) 2.140 6.437 ( 0.806 0.000 -1.983) 2.140 6.463 ( -3.188 0.000 5.716) 6.545 6.463 ( 3.188 0.000 5.716) 6.545 6.886 ( -2.157 0.000 -3.074) 3.755 6.886 ( 2.157 0.000 -3.074) 3.755 6.981 ( -2.794 0.000 -1.306) 3.085 6.981 ( 2.794 0.000 -1.306) 3.085 7.191 ( -2.564 0.000 3.619) 4.435 7.191 ( 2.564 0.000 3.619) 4.435 7.343 ( -0.072 0.000 -6.505) 6.505 7.343 ( 0.072 0.000 -6.505) 6.505 7.443 ( -2.239 0.000 0.440) 2.282 7.443 ( 2.239 0.000 0.440) 2.282 7.913 ( -0.195 0.000 3.592) 3.597 7.913 ( 0.195 0.000 3.592) 3.597 8.158 ( -11.834 0.000 -3.476) 12.334 8.158 ( 11.834 0.000 -3.476) 12.334 9.516 ( -0.657 0.000 -2.627) 2.708 9.516 ( 0.657 0.000 -2.627) 2.708 10.174 ( -2.843 0.000 5.580) 6.262 10.174 ( 2.843 0.000 5.580) 6.262 10.617 ( -5.844 0.000 -12.997) 14.250 10.617 ( 5.844 0.000 -12.997) 14.250 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 22.739 11.192) 25.344 1.089 ( 0.000 2.707 19.791) 19.975 1.365 ( 0.000 25.449 4.672) 25.874 1.385 ( 0.000 6.761 -6.735) 9.543 1.733 ( 0.000 -1.388 -0.518) 1.482 1.903 ( 0.000 6.768 34.641) 35.296 1.971 ( 0.000 0.069 -0.012) 0.070 2.021 ( 0.000 1.468 -7.609) 7.749 2.178 ( 0.000 11.684 -1.177) 11.744 2.330 ( 0.000 5.700 -6.125) 8.367 2.429 ( 0.000 3.084 -4.289) 5.283 2.448 ( 0.000 4.243 -1.008) 4.362 2.641 ( 0.000 -3.044 2.869) 4.183 2.746 ( 0.000 0.453 3.649) 3.677 2.852 ( 0.000 2.738 2.343) 3.604 2.901 ( 0.000 5.207 2.480) 5.768 3.078 ( 0.000 -0.270 -6.080) 6.086 3.176 ( 0.000 -0.279 5.178) 5.185 3.295 ( 0.000 4.181 1.842) 4.568 3.501 ( 0.000 -0.110 9.242) 9.243 3.573 ( 0.000 -0.690 -2.856) 2.938 3.882 ( 0.000 -1.989 -2.872) 3.493 4.252 ( 0.000 -3.063 -0.377) 3.086 4.291 ( 0.000 -3.342 -10.986) 11.483 6.346 ( 0.000 -0.494 0.739) 0.888 6.462 ( 0.000 -1.044 2.273) 2.501 6.639 ( 0.000 10.785 -0.713) 10.809 6.741 ( 0.000 17.155 2.772) 17.378 6.812 ( 0.000 -2.157 -5.794) 6.183 6.829 ( 0.000 -3.375 -1.706) 3.781 6.992 ( 0.000 4.053 0.365) 4.069 7.136 ( 0.000 5.901 -0.181) 5.904 7.190 ( 0.000 -0.064 -1.263) 1.265 7.244 ( 0.000 1.504 -1.470) 2.103 7.384 ( 0.000 3.344 -4.542) 5.640 7.420 ( 0.000 5.923 -3.836) 7.057 7.495 ( 0.000 3.611 0.502) 3.646 7.640 ( 0.000 13.509 -3.526) 13.962 7.732 ( 0.000 0.097 5.339) 5.340 7.946 ( 0.000 2.641 1.504) 3.039 7.996 ( 0.000 8.677 4.070) 9.584 8.459 ( 0.000 3.313 -10.164) 10.690 9.479 ( 0.000 -2.654 -3.263) 4.206 9.489 ( 0.000 -3.184 -2.714) 4.184 10.096 ( 0.000 -2.672 6.326) 6.867 10.234 ( 0.000 -6.525 0.757) 6.569 10.349 ( 0.000 -2.503 -2.756) 3.723 10.661 ( 0.000 -6.227 -10.983) 12.625 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -1.041 7.905 16.677) 18.485 1.117 ( 3.284 19.000 12.950) 23.226 1.259 ( -10.113 8.684 0.594) 13.343 1.320 ( -4.900 23.585 5.227) 24.650 1.765 ( 3.426 -0.346 -4.665) 5.798 1.924 ( -3.262 1.337 -4.155) 5.449 2.012 ( 5.934 1.310 15.617) 16.758 2.061 ( 2.783 4.125 2.968) 5.794 2.210 ( 4.975 10.742 4.451) 12.647 2.373 ( 2.059 3.359 -3.994) 5.610 2.450 ( 3.936 3.910 -4.033) 6.859 2.457 ( 1.309 3.912 -0.438) 4.148 2.595 ( -4.044 -1.305 4.962) 6.533 2.767 ( -1.110 -1.029 1.244) 1.959 2.856 ( 0.245 2.718 2.056) 3.417 2.891 ( -1.690 4.491 3.129) 5.729 3.028 ( -2.059 2.577 -2.868) 4.370 3.186 ( -0.834 1.517 6.255) 6.491 3.228 ( -4.374 1.249 4.181) 6.179 3.327 ( -7.132 0.716 -1.868) 7.408 3.801 ( 12.760 -1.610 2.387) 13.080 3.952 ( 5.720 -2.659 -3.575) 7.251 4.215 ( -3.517 -2.695 -1.878) 4.812 4.258 ( -3.413 -3.210 -9.794) 10.857 6.359 ( 1.322 -0.672 0.549) 1.581 6.438 ( -2.196 -1.055 1.508) 2.866 6.643 ( 0.479 11.436 0.046) 11.446 6.707 ( -2.635 14.134 2.148) 14.537 6.823 ( 1.191 -1.147 -4.778) 5.056 6.848 ( 1.018 -0.898 -2.340) 2.705 7.002 ( 1.159 3.056 0.029) 3.269 7.111 ( -3.370 5.807 -0.797) 6.761 7.184 ( 1.645 1.500 0.697) 2.333 7.268 ( 0.424 1.803 0.314) 1.879 7.386 ( 0.399 3.516 -3.841) 5.222 7.429 ( 0.943 5.834 -3.396) 6.816 7.465 ( -3.646 6.953 0.099) 7.851 7.513 ( -4.602 5.303 0.383) 7.032 7.871 ( 5.597 0.465 0.720) 5.662 7.940 ( -0.564 2.222 1.824) 2.930 8.057 ( 7.203 10.306 1.326) 12.644 8.391 ( -6.656 4.504 -7.814) 11.209 9.477 ( 0.172 -2.830 -2.848) 4.018 9.493 ( -0.022 -3.058 -2.933) 4.237 10.105 ( 1.063 -2.792 6.075) 6.770 10.190 ( -3.014 -4.541 3.738) 6.608 10.433 ( 6.670 -4.600 -7.556) 11.079 10.635 ( -2.796 -6.125 -11.203) 13.070 ======================= Grid point 137 (48/105) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -7.516 5.315 11.494) 14.726 1.062 ( 7.516 5.315 11.494) 14.726 1.217 ( -5.474 24.835 7.584) 26.538 1.217 ( 5.474 24.835 7.584) 26.538 1.846 ( -4.635 0.431 -7.351) 8.701 1.846 ( 4.635 0.431 -7.351) 8.701 2.073 ( -1.403 4.534 3.676) 6.003 2.073 ( 1.403 4.534 3.676) 6.003 2.343 ( -5.288 2.403 2.891) 6.488 2.343 ( 5.288 2.403 2.891) 6.488 2.505 ( -4.398 3.730 5.750) 8.144 2.505 ( 4.398 3.730 5.750) 8.144 2.618 ( -11.599 2.051 -0.334) 11.784 2.618 ( 11.599 2.051 -0.334) 11.784 2.863 ( -0.780 3.011 2.870) 4.232 2.863 ( 0.780 3.011 2.870) 4.232 3.083 ( -6.007 2.474 0.324) 6.505 3.083 ( 6.007 2.474 0.324) 6.505 3.241 ( -2.778 0.479 1.753) 3.319 3.241 ( 2.778 0.479 1.753) 3.319 3.987 ( -5.197 -2.986 0.243) 5.999 3.987 ( 5.197 -2.986 0.243) 5.999 4.184 ( -2.642 -2.485 -7.300) 8.151 4.184 ( 2.642 -2.485 -7.300) 8.151 6.393 ( -2.256 -0.965 0.563) 2.517 6.393 ( 2.256 -0.965 0.563) 2.517 6.663 ( -1.767 12.589 1.312) 12.780 6.663 ( 1.767 12.589 1.312) 12.780 6.848 ( -1.017 -0.473 -3.565) 3.737 6.848 ( 1.017 -0.473 -3.565) 3.737 7.043 ( -3.194 3.847 -0.364) 5.013 7.043 ( 3.194 3.847 -0.364) 5.013 7.236 ( -3.109 3.146 2.563) 5.111 7.236 ( 3.109 3.146 2.563) 5.111 7.406 ( -1.848 6.304 -3.183) 7.300 7.406 ( 1.848 6.304 -3.183) 7.300 7.460 ( -2.190 3.361 -1.048) 4.146 7.460 ( 2.190 3.361 -1.048) 4.146 7.924 ( -1.276 1.213 1.794) 2.513 7.924 ( 1.276 1.213 1.794) 2.513 8.231 ( -9.669 7.339 -3.751) 12.705 8.231 ( 9.669 7.339 -3.751) 12.705 9.486 ( -0.595 -2.962 -2.792) 4.114 9.486 ( 0.595 -2.962 -2.792) 4.114 10.138 ( -2.357 -3.332 5.400) 6.769 10.138 ( 2.357 -3.332 5.400) 6.769 10.555 ( -5.604 -5.728 -10.853) 13.491 10.555 ( 5.604 -5.728 -10.853) 13.491 ======================= Grid point 140 (49/105) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 7.934 14.664) 16.673 1.360 ( 0.000 11.394 12.348) 16.801 1.557 ( 0.000 8.790 -0.522) 8.805 1.710 ( 0.000 0.266 -1.051) 1.084 1.871 ( 0.000 19.375 -0.001) 19.375 1.944 ( 0.000 1.225 0.712) 1.417 2.103 ( 0.000 9.103 -3.031) 9.594 2.229 ( 0.000 19.835 8.980) 21.773 2.428 ( 0.000 10.994 -0.448) 11.003 2.430 ( 0.000 3.187 -0.583) 3.240 2.491 ( 0.000 3.515 -5.146) 6.231 2.517 ( 0.000 0.303 2.849) 2.865 2.617 ( 0.000 4.280 1.057) 4.409 2.776 ( 0.000 2.988 4.628) 5.509 2.917 ( 0.000 3.322 1.128) 3.508 3.006 ( 0.000 4.267 1.502) 4.523 3.073 ( 0.000 0.584 -1.561) 1.666 3.186 ( 0.000 2.043 4.060) 4.545 3.429 ( 0.000 7.293 -4.706) 8.680 3.499 ( 0.000 -0.528 8.231) 8.248 3.575 ( 0.000 2.962 2.026) 3.589 3.849 ( 0.000 -0.316 -1.472) 1.505 4.163 ( 0.000 -5.843 0.178) 5.846 4.198 ( 0.000 -5.839 -10.076) 11.646 6.359 ( 0.000 1.499 0.815) 1.706 6.454 ( 0.000 0.424 1.594) 1.649 6.737 ( 0.000 -0.056 0.351) 0.355 6.763 ( 0.000 -2.810 -6.103) 6.719 6.795 ( 0.000 -0.045 -0.504) 0.506 7.068 ( 0.000 2.414 1.841) 3.036 7.126 ( 0.000 17.197 -0.529) 17.205 7.157 ( 0.000 -0.907 -1.470) 1.727 7.264 ( 0.000 6.379 0.110) 6.379 7.311 ( 0.000 5.551 -2.867) 6.248 7.402 ( 0.000 -0.116 0.414) 0.430 7.531 ( 0.000 5.509 -1.545) 5.721 7.675 ( 0.000 10.830 1.827) 10.983 7.761 ( 0.000 4.628 2.428) 5.226 7.923 ( 0.000 6.355 -0.204) 6.358 8.074 ( 0.000 15.659 -9.775) 18.460 8.250 ( 0.000 16.642 2.481) 16.826 8.572 ( 0.000 8.231 -7.743) 11.301 9.407 ( 0.000 -4.771 -3.014) 5.643 9.408 ( 0.000 -4.217 -3.408) 5.422 10.030 ( 0.000 -3.676 5.269) 6.425 10.101 ( 0.000 -6.294 3.590) 7.246 10.279 ( 0.000 -4.422 -2.766) 5.215 10.505 ( 0.000 -8.854 -7.883) 11.855 ======================= Grid point 141 (50/105) ======================= q-point: ( 0.25 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -0.953 9.656 13.508) 16.632 1.383 ( -7.853 9.621 2.021) 12.583 1.495 ( 5.253 9.962 11.970) 16.435 1.756 ( -0.681 9.407 -1.620) 9.570 1.838 ( -0.781 11.643 1.621) 11.781 1.931 ( -1.673 1.188 -3.902) 4.409 2.138 ( 4.059 10.926 0.525) 11.667 2.255 ( 1.006 16.138 5.498) 17.079 2.419 ( 0.216 7.120 -1.906) 7.373 2.461 ( 0.271 4.141 -2.381) 4.784 2.477 ( 0.073 1.634 -3.044) 3.455 2.519 ( -0.097 -0.966 2.145) 2.355 2.635 ( 2.756 7.931 4.322) 9.444 2.780 ( -0.539 2.617 4.044) 4.847 2.921 ( 0.451 3.415 1.315) 3.687 2.982 ( -2.347 3.896 2.046) 4.987 3.079 ( 1.563 2.737 -0.233) 3.161 3.215 ( 2.146 2.000 2.793) 4.051 3.318 ( -9.284 6.253 6.027) 12.713 3.384 ( -4.150 6.551 -3.078) 8.343 3.761 ( 10.410 -2.102 3.551) 11.198 3.896 ( 3.637 -2.273 -2.308) 4.871 4.138 ( -2.312 -5.019 -0.759) 5.578 4.172 ( -2.637 -5.160 -9.296) 10.954 6.367 ( 0.859 1.268 0.806) 1.731 6.431 ( -2.044 0.477 1.392) 2.519 6.739 ( 0.241 -0.519 -1.700) 1.794 6.756 ( -0.518 -2.167 -4.007) 4.585 6.835 ( 3.658 1.007 -0.409) 3.816 7.007 ( -4.649 3.109 0.751) 5.644 7.145 ( 1.661 13.769 -1.625) 13.964 7.203 ( 3.435 0.177 0.626) 3.496 7.233 ( -2.355 7.472 -1.738) 8.025 7.310 ( -1.124 2.037 -0.182) 2.334 7.427 ( 2.728 3.149 -0.207) 4.172 7.524 ( -0.877 5.010 -1.460) 5.292 7.672 ( -0.225 11.703 1.873) 11.854 7.723 ( -3.131 10.430 2.432) 11.158 7.941 ( 1.579 4.624 -0.634) 4.927 8.030 ( -3.183 10.636 -5.268) 12.289 8.323 ( 5.992 16.147 -1.443) 17.283 8.533 ( -3.847 9.793 -6.542) 12.389 9.402 ( 0.023 -4.448 -3.018) 5.375 9.413 ( -0.002 -4.662 -3.245) 5.680 10.036 ( 0.687 -3.868 5.162) 6.487 10.085 ( -1.399 -5.522 4.252) 7.109 10.328 ( 4.472 -5.739 -4.773) 8.702 10.483 ( -2.320 -8.542 -7.851) 11.831 ======================= Grid point 142 (51/105) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -7.219 9.908 8.077) 14.681 1.211 ( 7.219 9.908 8.077) 14.681 1.644 ( -8.216 13.934 7.782) 17.950 1.644 ( 8.216 13.934 7.782) 17.950 1.883 ( -3.194 3.405 -4.968) 6.817 1.883 ( 3.194 3.405 -4.968) 6.817 2.226 ( -3.988 12.555 2.719) 13.451 2.226 ( 3.988 12.555 2.719) 13.451 2.434 ( -1.345 4.211 -3.224) 5.472 2.434 ( 1.345 4.211 -3.224) 5.472 2.504 ( -1.390 -0.966 -0.566) 1.785 2.504 ( 1.390 -0.966 -0.566) 1.785 2.723 ( -5.195 6.540 5.804) 10.171 2.723 ( 5.195 6.540 5.804) 10.171 2.939 ( -1.698 4.206 2.410) 5.136 2.939 ( 1.698 4.206 2.410) 5.136 3.148 ( -5.732 3.363 1.782) 6.880 3.148 ( 5.732 3.363 1.782) 6.880 3.301 ( -4.070 6.903 1.084) 8.086 3.301 ( 4.070 6.903 1.084) 8.086 3.909 ( -4.078 -4.628 1.034) 6.254 3.909 ( 4.078 -4.628 1.034) 6.254 4.120 ( -1.653 -3.704 -6.039) 7.275 4.120 ( 1.653 -3.704 -6.039) 7.275 6.392 ( -1.790 0.797 0.983) 2.192 6.392 ( 1.790 0.797 0.983) 2.192 6.746 ( -0.484 -1.193 -2.979) 3.246 6.746 ( 0.484 -1.193 -2.979) 3.246 6.917 ( -4.755 2.507 0.185) 5.378 6.917 ( 4.755 2.507 0.185) 5.378 7.185 ( -2.455 10.249 -2.207) 10.768 7.185 ( 2.455 10.249 -2.207) 10.768 7.267 ( -3.052 0.210 1.128) 3.260 7.267 ( 3.052 0.210 1.128) 3.260 7.488 ( -3.015 4.728 -0.855) 5.672 7.488 ( 3.015 4.728 -0.855) 5.672 7.678 ( -1.226 13.538 2.166) 13.764 7.678 ( 1.226 13.538 2.166) 13.764 7.977 ( -2.296 5.431 -2.076) 6.251 7.977 ( 2.296 5.431 -2.076) 6.251 8.439 ( -5.861 13.138 -4.295) 15.014 8.439 ( 5.861 13.138 -4.295) 15.014 9.408 ( -0.447 -4.609 -3.058) 5.550 9.408 ( 0.447 -4.609 -3.058) 5.550 10.057 ( -1.420 -4.513 4.865) 6.786 10.057 ( 1.420 -4.513 4.865) 6.786 10.418 ( -4.425 -7.514 -7.125) 11.261 10.418 ( 4.425 -7.514 -7.125) 11.261 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.000 11.758 7.869) 14.148 1.552 ( 0.000 8.703 13.116) 15.740 1.713 ( 0.000 7.493 -1.509) 7.644 1.737 ( 0.000 2.663 -1.223) 2.930 2.016 ( 0.000 5.825 -1.729) 6.076 2.072 ( 0.000 5.629 -3.315) 6.533 2.328 ( 0.000 5.832 4.176) 7.172 2.392 ( 0.000 -1.913 1.318) 2.323 2.487 ( 0.000 -1.557 -0.015) 1.557 2.541 ( 0.000 5.612 -4.584) 7.247 2.551 ( 0.000 5.958 -7.459) 9.546 2.618 ( 0.000 5.443 -1.827) 5.742 2.822 ( 0.000 12.321 6.799) 14.072 2.869 ( 0.000 5.961 4.794) 7.649 2.958 ( 0.000 0.652 0.302) 0.718 3.044 ( 0.000 1.353 0.590) 1.476 3.141 ( 0.000 5.259 3.098) 6.104 3.292 ( 0.000 8.818 0.990) 8.873 3.456 ( 0.000 -3.936 3.647) 5.365 3.496 ( 0.000 2.912 -3.107) 4.259 3.766 ( 0.000 12.469 0.967) 12.507 3.912 ( 0.000 6.495 1.095) 6.587 4.033 ( 0.000 -6.149 1.460) 6.320 4.078 ( 0.000 -5.082 -7.168) 8.787 6.396 ( 0.000 2.013 1.606) 2.575 6.479 ( 0.000 2.037 0.624) 2.130 6.700 ( 0.000 -3.464 -5.483) 6.485 6.721 ( 0.000 -0.966 -3.302) 3.440 6.799 ( 0.000 0.638 1.508) 1.637 7.086 ( 0.000 -0.046 2.668) 2.668 7.139 ( 0.000 -0.853 -1.977) 2.153 7.290 ( 0.000 4.299 -2.852) 5.159 7.322 ( 0.000 -2.359 2.075) 3.141 7.431 ( 0.000 5.762 -2.266) 6.191 7.574 ( 0.000 14.396 -0.618) 14.409 7.648 ( 0.000 6.439 0.242) 6.444 7.765 ( 0.000 2.158 -0.181) 2.165 7.953 ( 0.000 -0.369 -3.002) 3.024 8.006 ( 0.000 15.052 5.818) 16.137 8.419 ( 0.000 15.237 -7.179) 16.843 8.610 ( 0.000 18.254 0.370) 18.258 8.765 ( 0.000 10.379 -5.256) 11.634 9.316 ( 0.000 -4.025 -3.114) 5.089 9.322 ( 0.000 -4.269 -3.058) 5.251 9.960 ( 0.000 -3.524 4.025) 5.349 9.996 ( 0.000 -3.894 3.950) 5.547 10.180 ( 0.000 -5.418 -2.524) 5.977 10.333 ( 0.000 -8.059 -4.850) 9.406 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.207 12.681 7.165) 14.567 1.565 ( -8.285 8.007 1.475) 11.616 1.641 ( 7.671 7.620 11.052) 15.462 1.858 ( 6.129 3.164 -2.384) 7.298 1.958 ( -5.920 5.773 1.734) 8.448 2.042 ( -3.231 5.344 -1.879) 6.521 2.335 ( 1.874 2.704 -1.424) 3.585 2.417 ( 0.902 -0.832 1.467) 1.913 2.482 ( -0.009 0.240 -1.236) 1.259 2.541 ( 0.279 6.690 -4.153) 7.879 2.546 ( -0.798 3.451 -5.769) 6.770 2.593 ( -2.394 7.498 -1.989) 8.119 2.835 ( 1.240 10.251 6.343) 12.119 2.869 ( -0.185 5.890 4.700) 7.538 2.971 ( 1.377 1.504 1.043) 2.290 3.033 ( -1.098 1.840 1.091) 2.405 3.158 ( 1.973 5.064 2.858) 6.141 3.284 ( -2.243 4.748 1.706) 5.521 3.428 ( 1.130 4.565 -0.246) 4.709 3.534 ( 0.349 5.711 0.016) 5.721 3.772 ( 1.624 4.574 0.721) 4.907 3.894 ( -2.186 2.647 1.612) 3.792 4.041 ( 0.905 -3.255 -0.245) 3.388 4.076 ( -0.385 -3.140 -5.661) 6.485 6.401 ( 0.631 2.021 1.440) 2.561 6.457 ( -1.950 2.032 0.814) 2.932 6.701 ( 0.327 -2.856 -4.870) 5.655 6.719 ( -0.230 -1.377 -3.723) 3.976 6.844 ( 4.120 0.495 1.001) 4.268 7.023 ( -4.541 0.019 0.723) 4.598 7.191 ( 3.388 -1.113 0.214) 3.572 7.301 ( -1.723 -0.884 3.062) 3.623 7.306 ( 1.249 3.570 -3.815) 5.372 7.401 ( -2.646 6.564 -1.978) 7.349 7.595 ( 1.727 11.511 -1.108) 11.693 7.642 ( -0.599 6.742 -0.455) 6.784 7.790 ( 2.462 3.026 0.525) 3.936 7.909 ( -3.105 3.728 0.435) 4.871 8.070 ( 5.252 12.318 1.991) 13.538 8.334 ( -7.182 15.669 -3.766) 17.643 8.656 ( 3.452 16.280 -2.281) 16.798 8.753 ( -1.328 11.371 -4.950) 12.472 9.315 ( -0.040 -3.966 -2.984) 4.963 9.320 ( -0.160 -4.467 -3.039) 5.405 9.963 ( 0.340 -3.546 4.048) 5.392 9.989 ( -0.719 -3.820 4.051) 5.614 10.212 ( 2.930 -5.950 -3.268) 7.393 10.318 ( -1.656 -7.794 -4.797) 9.301 ======================= Grid point 147 (54/105) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -5.325 11.666 4.299) 13.525 1.430 ( 5.325 11.666 4.299) 13.525 1.807 ( -9.087 5.423 8.297) 13.447 1.807 ( 9.087 5.423 8.297) 13.447 1.964 ( -4.843 4.436 -2.824) 7.149 1.964 ( 4.843 4.436 -2.824) 7.149 2.390 ( -3.087 -0.572 -3.511) 4.710 2.390 ( 3.087 -0.572 -3.511) 4.710 2.511 ( -2.530 2.453 -0.867) 3.629 2.511 ( 2.530 2.453 -0.867) 3.629 2.555 ( -1.246 8.219 -3.591) 9.055 2.555 ( 1.246 8.219 -3.591) 9.055 2.858 ( -0.986 7.046 5.116) 8.763 2.858 ( 0.986 7.046 5.116) 8.763 3.004 ( -1.848 2.194 1.637) 3.303 3.004 ( 1.848 2.194 1.637) 3.303 3.216 ( -3.930 3.876 2.227) 5.952 3.216 ( 3.930 3.876 2.227) 5.952 3.491 ( -3.996 9.330 -0.360) 10.156 3.491 ( 3.996 9.330 -0.360) 10.156 3.832 ( -3.911 -1.520 1.354) 4.409 3.832 ( 3.911 -1.520 1.354) 4.409 4.062 ( -1.043 -1.076 -2.930) 3.291 4.062 ( 1.043 -1.076 -2.930) 3.291 6.421 ( -1.535 2.031 1.115) 2.780 6.421 ( 1.535 2.031 1.115) 2.780 6.711 ( -0.582 -2.039 -4.250) 4.749 6.711 ( 0.582 -2.039 -4.250) 4.749 6.933 ( -4.901 0.241 0.493) 4.932 6.933 ( 4.901 0.241 0.493) 4.932 7.252 ( -3.027 -1.621 1.296) 3.670 7.252 ( 3.027 -1.621 1.296) 3.670 7.347 ( -2.743 6.004 -2.158) 6.944 7.347 ( 2.743 6.004 -2.158) 6.944 7.625 ( -1.269 8.170 -1.233) 8.359 7.625 ( 1.269 8.170 -1.233) 8.359 7.847 ( -3.345 4.118 1.136) 5.426 7.847 ( 3.345 4.118 1.136) 5.426 8.191 ( -7.391 14.264 -0.459) 16.072 8.191 ( 7.391 14.264 -0.459) 16.072 8.715 ( -2.638 13.645 -4.085) 14.485 8.715 ( 2.638 13.645 -4.085) 14.485 9.317 ( -0.185 -4.292 -2.945) 5.209 9.317 ( 0.185 -4.292 -2.945) 5.209 9.973 ( -0.774 -3.652 4.100) 5.545 9.973 ( 0.774 -3.652 4.100) 5.545 10.272 ( -3.066 -7.002 -4.353) 8.797 10.272 ( 3.066 -7.002 -4.353) 8.797 ======================= Grid point 150 (55/105) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.000 12.144 2.195) 12.341 1.711 ( 0.000 7.479 7.648) 10.697 1.813 ( 0.000 4.906 -0.442) 4.926 1.870 ( 0.000 8.415 -1.825) 8.611 2.143 ( 0.000 5.972 -0.843) 6.031 2.164 ( 0.000 3.582 -2.078) 4.141 2.326 ( 0.000 -3.902 -0.423) 3.925 2.329 ( 0.000 -2.822 3.106) 4.196 2.462 ( 0.000 -1.104 0.749) 1.334 2.602 ( 0.000 0.502 -7.948) 7.963 2.624 ( 0.000 1.398 1.165) 1.820 2.691 ( 0.000 2.212 -2.457) 3.306 2.951 ( 0.000 -0.431 -0.855) 0.957 2.953 ( 0.000 2.405 2.324) 3.345 2.975 ( 0.000 3.473 2.097) 4.057 3.080 ( 0.000 1.412 1.949) 2.406 3.212 ( 0.000 0.656 -1.143) 1.318 3.363 ( 0.000 -4.508 1.643) 4.798 3.480 ( 0.000 7.034 -3.770) 7.981 3.657 ( 0.000 10.948 4.667) 11.901 3.815 ( 0.000 -4.361 -2.037) 4.813 3.962 ( 0.000 0.614 -3.428) 3.483 4.115 ( 0.000 12.761 2.238) 12.956 4.155 ( 0.000 11.264 2.517) 11.541 6.435 ( 0.000 1.859 1.905) 2.662 6.530 ( 0.000 2.946 -0.439) 2.979 6.631 ( 0.000 -3.363 -4.250) 5.419 6.702 ( 0.000 -0.851 -4.258) 4.343 6.829 ( 0.000 2.420 -0.047) 2.421 7.079 ( 0.000 -0.528 2.562) 2.616 7.121 ( 0.000 -1.051 -2.228) 2.464 7.253 ( 0.000 -4.006 0.696) 4.066 7.382 ( 0.000 4.856 -2.512) 5.467 7.527 ( 0.000 3.934 -2.654) 4.745 7.772 ( 0.000 4.819 1.494) 5.045 7.777 ( 0.000 2.463 0.222) 2.473 7.854 ( 0.000 10.704 -2.947) 11.103 7.958 ( 0.000 2.367 -4.797) 5.350 8.268 ( 0.000 10.522 6.359) 12.294 8.626 ( 0.000 5.408 -2.042) 5.780 8.918 ( 0.000 11.690 -1.348) 11.767 8.944 ( 0.000 6.934 -3.972) 7.991 9.254 ( 0.000 -2.035 -1.362) 2.449 9.263 ( 0.000 -1.090 -2.544) 2.767 9.893 ( 0.000 -2.841 2.558) 3.823 9.952 ( 0.000 -0.959 3.372) 3.506 10.070 ( 0.000 -5.635 -2.021) 5.987 10.194 ( 0.000 -5.999 -2.721) 6.587 ======================= Grid point 151 (56/105) ======================= q-point: ( 0.25 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.273 12.383 2.245) 12.587 1.708 ( -2.128 7.172 2.329) 7.835 1.810 ( 3.026 8.328 5.831) 10.607 1.925 ( 3.502 4.325 -2.343) 6.038 2.078 ( -5.536 4.985 3.064) 8.055 2.122 ( -3.915 2.687 -1.561) 4.999 2.324 ( 1.647 -1.587 -3.349) 4.056 2.368 ( 0.973 -2.421 -0.584) 2.674 2.477 ( 1.634 -0.737 0.367) 1.830 2.571 ( -2.532 0.054 -5.244) 5.823 2.641 ( 1.410 1.959 -0.112) 2.416 2.687 ( -0.532 2.418 -2.305) 3.383 2.956 ( 0.254 2.580 2.361) 3.507 2.962 ( 0.277 2.039 1.828) 2.752 2.990 ( 2.073 1.307 0.339) 2.473 3.069 ( -1.146 1.395 1.703) 2.482 3.228 ( 1.810 0.998 -0.612) 2.156 3.347 ( -2.572 -1.053 2.216) 3.555 3.473 ( 1.457 2.316 -5.022) 5.719 3.648 ( -3.756 0.352 1.239) 3.970 3.819 ( 3.801 6.246 -0.365) 7.321 4.005 ( 0.761 2.975 -0.141) 3.074 4.081 ( -0.904 11.938 1.539) 12.071 4.157 ( -0.654 9.569 1.683) 9.738 6.443 ( 0.868 2.079 1.575) 2.748 6.507 ( -2.061 2.884 -0.022) 3.544 6.642 ( 1.170 -2.971 -4.178) 5.258 6.694 ( -0.896 -1.195 -4.269) 4.522 6.867 ( 3.497 1.880 -0.298) 3.981 7.024 ( -4.049 0.136 0.433) 4.074 7.161 ( 2.591 -1.836 -0.074) 3.177 7.241 ( -1.280 -3.660 1.029) 4.011 7.400 ( 2.001 4.983 -2.873) 6.091 7.506 ( -2.139 4.515 -2.692) 5.675 7.757 ( -0.737 3.932 -0.208) 4.006 7.767 ( -1.013 3.363 0.350) 3.529 7.885 ( 2.736 8.729 -1.981) 9.360 7.960 ( -0.286 4.243 -3.128) 5.279 8.313 ( 4.709 9.976 4.847) 12.049 8.566 ( -5.863 6.997 -0.633) 9.150 8.926 ( 0.707 10.230 -2.116) 10.470 8.943 ( -0.082 7.218 -3.728) 8.124 9.246 ( -0.235 -2.726 -1.882) 3.321 9.264 ( -0.369 -0.958 -2.247) 2.470 9.899 ( 0.704 -2.559 2.729) 3.807 9.940 ( -1.037 -1.278 3.259) 3.651 10.097 ( 2.470 -5.507 -2.184) 6.419 10.182 ( -1.273 -5.895 -2.700) 6.607 ======================= Grid point 152 (57/105) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -2.387 10.929 1.513) 11.288 1.656 ( 2.387 10.929 1.513) 11.288 1.908 ( -5.830 5.139 6.169) 9.922 1.908 ( 5.830 5.139 6.169) 9.922 2.045 ( -3.403 3.310 -1.934) 5.126 2.045 ( 3.403 3.310 -1.934) 5.126 2.359 ( -1.598 -1.376 -3.544) 4.124 2.359 ( 1.598 -1.376 -3.544) 4.124 2.520 ( -2.703 -0.310 -2.101) 3.437 2.520 ( 2.703 -0.310 -2.101) 3.437 2.669 ( -1.376 2.476 -1.155) 3.059 2.669 ( 1.376 2.476 -1.155) 3.059 2.961 ( -0.241 2.796 2.445) 3.722 2.961 ( 0.241 2.796 2.445) 3.722 3.036 ( -2.299 1.106 0.993) 2.738 3.036 ( 2.299 1.106 0.993) 2.738 3.280 ( -3.584 1.539 0.582) 3.943 3.280 ( 3.584 1.539 0.582) 3.943 3.546 ( -5.521 -3.066 -3.335) 7.142 3.546 ( 5.521 -3.066 -3.335) 7.142 3.929 ( -6.285 10.303 2.355) 12.296 3.929 ( 6.285 10.303 2.355) 12.296 4.123 ( -2.821 7.355 0.593) 7.900 4.123 ( 2.821 7.355 0.593) 7.900 6.468 ( -1.794 2.541 0.800) 3.212 6.468 ( 1.794 2.541 0.800) 3.212 6.670 ( -1.560 -2.068 -4.206) 4.940 6.670 ( 1.560 -2.068 -4.206) 4.940 6.943 ( -4.302 0.948 -0.294) 4.415 6.943 ( 4.302 0.948 -0.294) 4.415 7.207 ( -2.199 -2.794 0.819) 3.649 7.207 ( 2.199 -2.794 0.819) 3.649 7.452 ( -3.214 5.042 -2.854) 6.626 7.452 ( 3.214 5.042 -2.854) 6.626 7.753 ( -0.345 3.398 -0.482) 3.449 7.753 ( 0.345 3.398 -0.482) 3.449 7.936 ( -2.245 6.701 -1.522) 7.229 7.936 ( 2.245 6.701 -1.522) 7.229 8.433 ( -7.450 8.873 2.003) 11.758 8.433 ( 7.450 8.873 2.003) 11.758 8.938 ( -0.500 8.284 -3.109) 8.863 8.938 ( 0.500 8.284 -3.109) 8.863 9.251 ( -0.684 -2.108 -2.172) 3.103 9.251 ( 0.684 -2.108 -2.172) 3.103 9.918 ( -1.213 -1.871 3.044) 3.773 9.918 ( 1.213 -1.871 3.044) 3.773 10.146 ( -2.413 -5.644 -2.534) 6.641 10.146 ( 2.413 -5.644 -2.534) 6.641 ======================= Grid point 155 (58/105) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.000 9.290 -1.577) 9.423 1.854 ( 0.000 7.045 1.578) 7.219 1.925 ( 0.000 6.233 0.437) 6.249 2.028 ( 0.000 6.561 0.249) 6.566 2.201 ( 0.000 -0.396 -1.431) 1.485 2.210 ( 0.000 -0.538 -1.653) 1.739 2.266 ( 0.000 -0.728 -0.347) 0.807 2.270 ( 0.000 -2.091 3.458) 4.041 2.445 ( 0.000 -0.607 1.038) 1.202 2.608 ( 0.000 0.770 -5.663) 5.716 2.614 ( 0.000 -2.072 1.180) 2.384 2.701 ( 0.000 -1.007 -0.749) 1.255 2.942 ( 0.000 -0.062 -2.681) 2.682 2.976 ( 0.000 0.263 1.435) 1.459 3.023 ( 0.000 1.638 1.351) 2.123 3.089 ( 0.000 -0.275 1.628) 1.651 3.205 ( 0.000 -0.229 -3.022) 3.031 3.292 ( 0.000 -2.433 0.048) 2.433 3.507 ( 0.000 -2.896 -5.335) 6.070 3.610 ( 0.000 -7.666 0.834) 7.711 3.986 ( 0.000 12.835 2.182) 13.020 4.067 ( 0.000 8.208 -0.237) 8.211 4.352 ( 0.000 10.065 1.558) 10.185 4.372 ( 0.000 9.428 2.521) 9.759 6.468 ( 0.000 1.535 1.468) 2.124 6.568 ( 0.000 -2.160 -2.222) 3.099 6.593 ( 0.000 2.505 -1.968) 3.186 6.688 ( 0.000 -0.669 -4.243) 4.296 6.891 ( 0.000 3.726 -1.497) 4.016 7.069 ( 0.000 -0.409 2.033) 2.074 7.096 ( 0.000 -1.556 -1.986) 2.524 7.169 ( 0.000 -4.359 0.314) 4.370 7.479 ( 0.000 4.833 -3.511) 5.973 7.588 ( 0.000 2.180 -2.694) 3.466 7.791 ( 0.000 -0.081 -2.976) 2.977 7.802 ( 0.000 -0.714 -3.095) 3.176 8.076 ( 0.000 10.913 -1.128) 10.972 8.079 ( 0.000 8.513 -1.435) 8.633 8.406 ( 0.000 3.507 4.859) 5.992 8.638 ( 0.000 -3.578 0.120) 3.580 9.033 ( 0.000 2.404 -1.905) 3.067 9.041 ( 0.000 1.489 -2.134) 2.602 9.268 ( 0.000 2.965 0.732) 3.054 9.270 ( 0.000 1.353 -1.284) 1.865 9.856 ( 0.000 -0.934 1.161) 1.490 9.950 ( 0.000 0.674 2.179) 2.281 9.963 ( 0.000 -4.940 -1.393) 5.133 10.094 ( 0.000 -4.171 -1.343) 4.382 ======================= Grid point 156 (59/105) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.040 9.196 -1.277) 9.284 1.854 ( 0.003 7.525 0.682) 7.556 1.947 ( 2.431 5.880 1.936) 6.651 2.034 ( 0.654 5.733 -0.173) 5.773 2.132 ( -4.852 0.640 3.005) 5.743 2.141 ( -4.847 -0.107 -0.402) 4.865 2.287 ( 3.151 -2.345 -3.030) 4.961 2.342 ( 1.799 -0.763 -1.974) 2.778 2.465 ( 2.314 -0.171 1.377) 2.698 2.573 ( -2.465 0.554 -3.315) 4.168 2.638 ( 1.606 -1.628 0.016) 2.287 2.696 ( -0.691 -1.290 -0.639) 1.597 2.968 ( 2.095 -0.082 -1.545) 2.605 2.985 ( 0.949 0.691 1.322) 1.768 3.020 ( -0.128 1.127 1.256) 1.693 3.079 ( -1.211 -0.319 1.364) 1.852 3.226 ( 2.214 -0.221 -2.406) 3.277 3.298 ( 0.354 -2.195 0.339) 2.249 3.466 ( -3.115 -3.068 -5.593) 7.099 3.543 ( -5.671 -6.828 -0.794) 8.911 4.049 ( 5.735 12.274 2.337) 13.748 4.129 ( 4.931 8.227 0.558) 9.608 4.314 ( -3.344 10.043 1.948) 10.763 4.352 ( -2.392 8.691 1.914) 9.215 6.481 ( 1.378 1.820 1.076) 2.524 6.565 ( -2.131 2.723 -0.920) 3.578 6.589 ( 1.621 -2.221 -2.837) 3.951 6.672 ( -1.597 -1.026 -4.009) 4.436 6.917 ( 2.413 3.077 -1.523) 4.197 7.030 ( -2.945 0.582 0.189) 3.008 7.118 ( 1.469 -2.494 -0.386) 2.920 7.163 ( -0.640 -4.058 0.254) 4.116 7.501 ( 2.168 5.009 -3.711) 6.600 7.585 ( -0.661 3.367 -3.185) 4.681 7.779 ( -1.465 -1.072 -2.494) 3.085 7.780 ( -1.219 -0.558 -2.904) 3.198 8.084 ( 1.337 10.073 -0.828) 10.195 8.105 ( 1.326 9.453 -1.163) 9.616 8.437 ( 3.276 2.513 3.956) 5.718 8.606 ( -3.319 -2.446 0.581) 4.163 9.030 ( 0.402 2.226 -1.501) 2.715 9.059 ( 0.725 3.658 -2.116) 4.287 9.218 ( -2.002 -0.136 -0.168) 2.013 9.273 ( -1.678 1.109 -1.025) 2.258 9.868 ( 1.389 -0.507 1.391) 2.030 9.932 ( -1.272 0.375 1.692) 2.150 9.999 ( 2.725 -4.302 -1.022) 5.194 10.083 ( -1.192 -4.177 -1.332) 4.543 ======================= Grid point 157 (60/105) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.129 8.592 -0.492) 8.607 1.853 ( 0.129 8.592 -0.492) 8.607 2.013 ( -4.066 5.549 3.527) 7.731 2.013 ( 4.066 5.549 3.527) 7.731 2.081 ( -1.731 0.329 -0.706) 1.899 2.081 ( 1.731 0.329 -0.706) 1.899 2.337 ( -1.812 -1.540 -3.110) 3.915 2.337 ( 1.812 -1.540 -3.110) 3.915 2.520 ( -3.077 0.776 -1.428) 3.480 2.520 ( 3.077 0.776 -1.428) 3.480 2.672 ( -1.764 -1.736 0.159) 2.480 2.672 ( 1.764 -1.736 0.159) 2.480 2.993 ( -0.662 1.058 0.836) 1.502 2.993 ( 0.662 1.058 0.836) 1.502 3.043 ( -2.367 -0.362 0.720) 2.500 3.043 ( 2.367 -0.362 0.720) 2.500 3.279 ( -2.732 -0.628 -0.564) 2.860 3.279 ( 2.732 -0.628 -0.564) 2.860 3.452 ( -2.664 -5.414 -4.081) 7.285 3.452 ( 2.664 -5.414 -4.081) 7.285 4.157 ( -4.044 11.408 2.232) 12.307 4.157 ( 4.044 11.408 2.232) 12.307 4.292 ( -2.796 7.864 1.411) 8.465 4.292 ( 2.796 7.864 1.411) 8.465 6.518 ( -2.390 2.442 0.120) 3.419 6.518 ( 2.390 2.442 0.120) 3.419 6.632 ( -2.497 -1.779 -3.341) 4.535 6.632 ( 2.497 -1.779 -3.341) 4.535 6.971 ( -3.137 1.855 -0.982) 3.775 6.971 ( 3.137 1.855 -0.982) 3.775 7.145 ( -1.263 -3.415 0.089) 3.642 7.145 ( 1.263 -3.415 0.089) 3.642 7.551 ( -2.736 4.931 -3.801) 6.801 7.551 ( 2.736 4.931 -3.801) 6.801 7.764 ( -0.270 -1.344 -2.375) 2.742 7.764 ( 0.270 -1.344 -2.375) 2.742 8.110 ( -0.859 9.844 -0.625) 9.902 8.110 ( 0.859 9.844 -0.625) 9.902 8.522 ( -5.149 0.151 2.001) 5.526 8.522 ( 5.149 0.151 2.001) 5.526 9.049 ( -1.342 3.876 -1.369) 4.324 9.049 ( 1.342 3.876 -1.369) 4.324 9.226 ( -2.421 -1.126 -1.138) 2.902 9.226 ( 2.421 -1.126 -1.138) 2.902 9.902 ( -1.886 0.265 1.663) 2.529 9.902 ( 1.886 0.265 1.663) 2.529 10.049 ( -2.376 -4.225 -1.253) 5.007 10.049 ( 2.376 -4.225 -1.253) 5.007 ======================= Grid point 160 (61/105) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.000 6.181 -0.724) 6.223 1.995 ( 0.000 5.480 -0.578) 5.511 2.040 ( 0.000 4.238 -2.157) 4.755 2.079 ( 0.000 -1.394 0.308) 1.428 2.142 ( 0.000 -3.958 -0.006) 3.958 2.155 ( 0.000 -3.499 -1.378) 3.761 2.273 ( 0.000 1.562 2.053) 2.580 2.290 ( 0.000 1.022 -0.717) 1.248 2.452 ( 0.000 2.437 2.270) 3.331 2.541 ( 0.000 -5.083 1.165) 5.215 2.638 ( 0.000 1.913 -3.404) 3.905 2.672 ( 0.000 -1.582 -1.413) 2.121 2.950 ( 0.000 0.811 -1.642) 1.831 2.969 ( 0.000 -0.857 0.081) 0.861 3.050 ( 0.000 1.271 0.939) 1.580 3.074 ( 0.000 -1.101 1.116) 1.568 3.222 ( 0.000 1.863 -3.087) 3.605 3.259 ( 0.000 -1.487 -1.713) 2.268 3.449 ( 0.000 -1.384 -3.295) 3.574 3.483 ( 0.000 -4.605 -0.797) 4.673 4.175 ( 0.000 5.585 1.691) 5.835 4.196 ( 0.000 3.385 0.813) 3.481 4.493 ( 0.000 3.923 1.697) 4.274 4.500 ( 0.000 3.193 2.069) 3.805 6.496 ( 0.000 1.392 0.486) 1.474 6.527 ( 0.000 -1.760 -0.896) 1.975 6.642 ( 0.000 2.078 -2.828) 3.510 6.672 ( 0.000 -1.012 -3.804) 3.936 6.972 ( 0.000 4.281 -1.726) 4.616 7.052 ( 0.000 -3.319 -1.374) 3.593 7.068 ( 0.000 0.463 0.952) 1.059 7.094 ( 0.000 -2.559 -0.156) 2.564 7.563 ( 0.000 3.415 -3.382) 4.806 7.605 ( 0.000 -0.621 -2.607) 2.680 7.785 ( 0.000 -0.524 -5.404) 5.430 7.785 ( 0.000 -0.363 -4.764) 4.778 8.241 ( 0.000 6.851 -0.093) 6.852 8.265 ( 0.000 6.616 -0.673) 6.650 8.425 ( 0.000 0.134 2.527) 2.531 8.519 ( 0.000 -7.431 0.540) 7.450 9.047 ( 0.000 0.140 -0.290) 0.322 9.052 ( 0.000 -0.081 -0.112) 0.139 9.302 ( 0.000 1.533 -0.269) 1.556 9.313 ( 0.000 0.839 0.331) 0.902 9.852 ( 0.000 0.606 0.301) 0.677 9.885 ( 0.000 -2.809 -0.509) 2.855 9.976 ( 0.000 1.928 0.686) 2.046 10.025 ( 0.000 -2.971 -0.423) 3.001 ======================= Grid point 161 (62/105) ======================= q-point: ( 0.25 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -0.223 5.447 -0.750) 5.503 1.991 ( -0.414 5.077 -0.978) 5.187 2.041 ( 0.237 1.277 -0.390) 1.356 2.072 ( -1.000 -2.308 -0.927) 2.680 2.118 ( 0.187 2.209 0.703) 2.326 2.207 ( -0.585 1.195 0.571) 1.448 2.218 ( 0.243 -0.684 -0.227) 0.761 2.306 ( -0.556 -3.369 -1.048) 3.571 2.488 ( 3.473 2.857 1.452) 4.726 2.561 ( 1.827 -3.422 0.703) 3.942 2.620 ( -1.692 1.374 -2.745) 3.505 2.658 ( -1.532 -2.103 -0.993) 2.785 2.972 ( 2.088 0.554 -1.070) 2.410 2.985 ( 1.650 -0.534 0.324) 1.764 3.041 ( -0.966 1.118 0.882) 1.721 3.063 ( -1.210 -1.059 0.990) 1.889 3.241 ( 1.973 1.684 -2.984) 3.954 3.272 ( 1.366 -1.029 -1.666) 2.387 3.404 ( -4.074 -1.813 -3.539) 5.693 3.429 ( -4.733 -4.119 -1.409) 6.430 4.233 ( 5.447 5.596 1.787) 8.011 4.255 ( 5.490 3.282 1.050) 6.482 4.455 ( -3.765 4.041 1.848) 5.824 4.469 ( -3.360 2.756 1.820) 4.711 6.515 ( 1.878 1.598 0.108) 2.468 6.547 ( 2.078 -1.756 -1.202) 2.974 6.617 ( -2.464 2.163 -2.152) 3.922 6.650 ( -2.200 -1.301 -3.261) 4.143 6.985 ( 1.319 3.742 -1.672) 4.306 7.049 ( -1.389 1.238 -0.424) 1.909 7.060 ( 0.536 -3.334 -0.497) 3.414 7.091 ( -0.460 -2.887 -0.366) 2.946 7.589 ( 2.601 3.679 -3.681) 5.818 7.627 ( 2.020 0.337 -3.010) 3.640 7.752 ( -2.925 -0.750 -4.855) 5.717 7.761 ( -2.295 -1.149 -4.417) 5.109 8.264 ( 2.098 7.672 0.089) 7.954 8.291 ( 1.922 7.752 -0.556) 8.006 8.426 ( 0.435 -2.221 2.146) 3.118 8.502 ( -1.833 -7.169 0.564) 7.422 9.062 ( 2.064 1.494 0.018) 2.548 9.087 ( 3.122 -0.505 -0.447) 3.194 9.239 ( -5.099 2.003 0.224) 5.483 9.275 ( -4.160 -1.122 -0.253) 4.316 9.877 ( 2.385 1.329 0.400) 2.760 9.918 ( 2.802 -2.607 -0.529) 3.864 9.965 ( -1.121 1.615 0.671) 2.077 10.013 ( -1.262 -3.017 -0.429) 3.299 ======================= Grid point 162 (63/105) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.230 4.752 -0.775) 4.820 1.984 ( 0.230 4.752 -0.775) 4.820 2.051 ( -0.899 -2.163 -0.328) 2.365 2.051 ( 0.899 -2.163 -0.328) 2.365 2.148 ( -2.713 6.856 1.125) 7.459 2.148 ( 2.713 6.856 1.125) 7.459 2.273 ( -2.673 -5.107 -1.294) 5.907 2.273 ( 2.673 -5.107 -1.294) 5.907 2.557 ( -3.144 2.767 -0.907) 4.285 2.557 ( 3.144 2.767 -0.907) 4.285 2.619 ( -2.242 -3.209 -0.169) 3.918 2.619 ( 2.242 -3.209 -0.169) 3.918 3.012 ( -1.510 0.889 0.359) 1.788 3.012 ( 1.510 0.889 0.359) 1.788 3.029 ( -2.040 -0.872 0.567) 2.290 3.029 ( 2.040 -0.872 0.567) 2.290 3.288 ( -1.765 1.879 -1.940) 3.227 3.288 ( 1.765 1.879 -1.940) 3.227 3.352 ( -1.496 -4.411 -3.238) 5.673 3.352 ( 1.496 -4.411 -3.238) 5.673 4.339 ( -2.708 6.286 1.777) 7.072 4.339 ( 2.708 6.286 1.777) 7.072 4.389 ( -2.434 1.403 1.582) 3.224 4.389 ( 2.434 1.403 1.582) 3.224 6.562 ( -2.941 2.015 -0.881) 3.672 6.562 ( 2.941 2.015 -0.881) 3.672 6.598 ( -3.024 -1.673 -2.121) 4.055 6.598 ( 3.024 -1.673 -2.121) 4.055 7.016 ( -1.827 2.693 -1.111) 3.438 7.016 ( 1.827 2.693 -1.111) 3.438 7.077 ( -0.954 -3.350 -0.674) 3.548 7.077 ( 0.954 -3.350 -0.674) 3.548 7.644 ( -1.932 4.296 -4.183) 6.299 7.644 ( 1.932 4.296 -4.183) 6.299 7.718 ( -1.062 -3.150 -3.730) 4.996 7.718 ( 1.062 -3.150 -3.730) 4.996 8.301 ( -1.182 9.116 0.141) 9.194 8.301 ( 1.182 9.116 0.141) 9.194 8.456 ( -2.587 -6.156 0.974) 6.748 8.456 ( 2.587 -6.156 0.974) 6.748 9.121 ( -3.088 3.578 -0.056) 4.727 9.121 ( 3.088 3.578 -0.056) 4.727 9.187 ( -3.540 -2.845 -0.224) 4.547 9.187 ( 3.540 -2.845 -0.224) 4.547 9.926 ( -2.310 2.001 0.456) 3.090 9.926 ( 2.310 2.001 0.456) 3.090 9.977 ( -2.438 -3.134 -0.380) 3.989 9.977 ( 2.438 -3.134 -0.380) 3.989 ======================= Grid point 195 (64/105) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.000 0.000 9.865) 9.865 1.106 ( 0.000 0.000 2.019) 2.019 1.252 ( 0.000 0.000 1.981) 1.981 1.511 ( 0.000 0.000 11.097) 11.097 1.707 ( 0.000 0.000 -1.455) 1.455 1.959 ( 0.000 0.000 7.085) 7.085 1.981 ( 0.000 0.000 0.251) 0.251 2.015 ( 0.000 0.000 -1.468) 1.468 2.110 ( 0.000 0.000 -8.206) 8.206 2.322 ( 0.000 0.000 -2.561) 2.561 2.324 ( 0.000 0.000 -2.576) 2.576 2.560 ( 0.000 0.000 4.480) 4.480 2.696 ( 0.000 0.000 12.142) 12.142 2.804 ( 0.000 0.000 2.385) 2.385 2.874 ( 0.000 0.000 1.903) 1.903 2.884 ( 0.000 0.000 1.426) 1.426 2.927 ( 0.000 0.000 2.401) 2.401 3.257 ( 0.000 0.000 2.436) 2.436 3.302 ( 0.000 0.000 1.327) 1.327 3.616 ( 0.000 0.000 4.791) 4.791 3.671 ( 0.000 0.000 4.621) 4.621 3.809 ( 0.000 0.000 -8.102) 8.102 4.083 ( 0.000 0.000 -8.818) 8.818 4.223 ( 0.000 0.000 -5.112) 5.112 6.378 ( 0.000 0.000 -0.527) 0.527 6.485 ( 0.000 0.000 -2.484) 2.484 6.544 ( 0.000 0.000 7.550) 7.550 6.641 ( 0.000 0.000 3.803) 3.803 6.788 ( 0.000 0.000 0.085) 0.085 6.875 ( 0.000 0.000 -2.384) 2.384 6.900 ( 0.000 0.000 -0.347) 0.347 6.974 ( 0.000 0.000 -4.254) 4.254 7.187 ( 0.000 0.000 -0.158) 0.158 7.219 ( 0.000 0.000 -0.961) 0.961 7.222 ( 0.000 0.000 -4.194) 4.194 7.233 ( 0.000 0.000 -4.375) 4.375 7.505 ( 0.000 0.000 1.319) 1.319 7.532 ( 0.000 0.000 0.197) 0.197 7.888 ( 0.000 0.000 7.580) 7.580 7.968 ( 0.000 0.000 2.076) 2.076 7.972 ( 0.000 0.000 1.862) 1.862 8.222 ( 0.000 0.000 -9.434) 9.434 9.453 ( 0.000 0.000 -1.776) 1.776 9.470 ( 0.000 0.000 -2.264) 2.264 10.220 ( 0.000 0.000 2.353) 2.353 10.291 ( 0.000 0.000 1.388) 1.388 10.312 ( 0.000 0.000 -3.257) 3.257 10.502 ( 0.000 0.000 -9.109) 9.109 ======================= Grid point 196 (65/105) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 2.276 0.000 8.637) 8.932 1.085 ( -2.178 0.000 3.113) 3.799 1.271 ( 2.470 0.000 5.956) 6.447 1.494 ( -3.884 0.000 19.453) 19.837 1.646 ( -2.367 0.000 -9.015) 9.320 1.838 ( -8.335 0.000 0.777) 8.371 1.986 ( 0.561 0.000 -0.054) 0.563 2.011 ( -0.456 0.000 -1.262) 1.342 2.244 ( 9.719 0.000 -5.398) 11.118 2.323 ( 0.026 0.000 -2.558) 2.558 2.324 ( -0.022 0.000 -2.570) 2.570 2.562 ( -3.303 0.000 -11.339) 11.810 2.700 ( 2.440 0.000 20.362) 20.508 2.795 ( -0.929 0.000 3.091) 3.228 2.875 ( 0.150 0.000 1.831) 1.837 2.883 ( -0.166 0.000 1.494) 1.503 2.994 ( 7.100 0.000 8.390) 10.991 3.265 ( 0.508 0.000 2.094) 2.155 3.299 ( -0.348 0.000 1.933) 1.964 3.414 ( -11.968 0.000 9.368) 15.198 3.813 ( 6.451 0.000 -2.836) 7.047 3.908 ( 9.057 0.000 -7.284) 11.622 4.043 ( -3.909 0.000 -7.138) 8.139 4.188 ( -3.780 0.000 -4.887) 6.178 6.385 ( 0.878 0.000 -0.407) 0.967 6.460 ( -2.323 0.000 -1.511) 2.771 6.556 ( 1.255 0.000 7.145) 7.255 6.624 ( -1.636 0.000 4.576) 4.860 6.792 ( 0.740 0.000 -1.240) 1.444 6.860 ( -1.667 0.000 -2.995) 3.427 6.913 ( 1.283 0.000 -1.127) 1.708 6.965 ( -0.912 0.000 -3.807) 3.915 7.198 ( 2.335 0.000 1.849) 2.978 7.224 ( 0.166 0.000 -4.241) 4.244 7.232 ( -0.165 0.000 -4.369) 4.372 7.265 ( 2.681 0.000 -0.125) 2.684 7.469 ( -3.475 0.000 1.850) 3.937 7.494 ( -2.355 0.000 0.419) 2.392 7.964 ( 6.590 0.000 3.357) 7.396 7.969 ( 0.064 0.000 2.048) 2.049 7.972 ( -0.056 0.000 1.897) 1.898 8.187 ( -3.597 0.000 -7.494) 8.312 9.458 ( 0.513 0.000 -1.697) 1.772 9.472 ( 0.064 0.000 -2.165) 2.166 10.223 ( 0.480 0.000 2.190) 2.242 10.273 ( -1.565 0.000 0.506) 1.644 10.346 ( 3.141 0.000 -3.598) 4.776 10.477 ( -2.470 0.000 -8.460) 8.813 ======================= Grid point 197 (66/105) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -3.135 0.000 5.808) 6.600 1.032 ( 3.135 0.000 5.808) 6.600 1.362 ( -7.211 0.000 14.215) 15.939 1.362 ( 7.211 0.000 14.215) 15.939 1.696 ( -6.074 0.000 -4.729) 7.697 1.696 ( 6.074 0.000 -4.729) 7.697 1.999 ( -0.713 0.000 -0.707) 1.004 1.999 ( 0.713 0.000 -0.707) 1.004 2.323 ( -0.035 0.000 -2.559) 2.559 2.323 ( 0.035 0.000 -2.559) 2.559 2.428 ( -9.275 0.000 -9.003) 12.926 2.428 ( 9.275 0.000 -9.003) 12.926 2.763 ( -2.760 0.000 9.666) 10.052 2.763 ( 2.760 0.000 9.666) 10.052 2.879 ( -0.224 0.000 1.660) 1.675 2.879 ( 0.224 0.000 1.660) 1.675 3.175 ( -10.977 0.000 10.892) 15.464 3.175 ( 10.977 0.000 10.892) 15.464 3.291 ( -0.466 0.000 3.339) 3.371 3.291 ( 0.466 0.000 3.339) 3.371 3.934 ( -6.232 0.000 -8.999) 10.946 3.934 ( 6.232 0.000 -8.999) 10.946 4.081 ( -7.392 0.000 -3.344) 8.113 4.081 ( 7.392 0.000 -3.344) 8.113 6.414 ( -2.155 0.000 -0.490) 2.210 6.414 ( 2.155 0.000 -0.490) 2.210 6.588 ( -1.978 0.000 6.024) 6.341 6.588 ( 1.978 0.000 6.024) 6.341 6.821 ( -2.130 0.000 -2.838) 3.549 6.821 ( 2.130 0.000 -2.838) 3.549 6.941 ( -1.487 0.000 -2.613) 3.006 6.941 ( 1.487 0.000 -2.613) 3.006 7.228 ( -0.236 0.000 -4.325) 4.332 7.228 ( 0.236 0.000 -4.325) 4.332 7.261 ( -3.165 0.000 3.000) 4.361 7.261 ( 3.165 0.000 3.000) 4.361 7.449 ( -1.785 0.000 0.111) 1.788 7.449 ( 1.785 0.000 0.111) 1.788 7.971 ( -0.086 0.000 1.976) 1.978 7.971 ( 0.086 0.000 1.976) 1.978 8.092 ( -6.265 0.000 -2.700) 6.822 8.092 ( 6.265 0.000 -2.700) 6.822 9.469 ( -0.458 0.000 -1.831) 1.887 9.469 ( 0.458 0.000 -1.831) 1.887 10.242 ( -1.497 0.000 1.341) 2.010 10.242 ( 1.497 0.000 1.341) 2.010 10.415 ( -3.805 0.000 -6.393) 7.440 10.415 ( 3.805 0.000 -6.393) 7.440 ======================= Grid point 200 (67/105) ======================= q-point: ( 0.00 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.000 19.888 8.559) 21.651 1.320 ( 0.000 8.812 0.884) 8.857 1.350 ( 0.000 16.683 4.060) 17.170 1.514 ( 0.000 4.186 7.188) 8.318 1.702 ( 0.000 0.897 -0.777) 1.186 1.953 ( 0.000 -0.840 -2.277) 2.427 1.965 ( 0.000 1.426 4.208) 4.443 2.171 ( 0.000 12.887 0.916) 12.920 2.180 ( 0.000 2.900 -4.836) 5.639 2.319 ( 0.000 2.437 0.635) 2.518 2.355 ( 0.000 2.543 -2.743) 3.741 2.570 ( 0.000 -0.879 -6.001) 6.065 2.715 ( 0.000 3.328 18.138) 18.441 2.811 ( 0.000 0.887 2.378) 2.538 2.896 ( 0.000 2.106 1.945) 2.867 2.918 ( 0.000 2.541 -0.927) 2.704 2.974 ( 0.000 4.951 4.520) 6.704 3.254 ( 0.000 -0.266 2.590) 2.604 3.311 ( 0.000 1.130 0.509) 1.239 3.623 ( 0.000 0.879 5.209) 5.283 3.673 ( 0.000 -0.216 3.945) 3.951 3.796 ( 0.000 -0.800 -6.293) 6.344 4.052 ( 0.000 -2.995 -9.034) 9.518 4.194 ( 0.000 -2.854 -5.113) 5.856 6.364 ( 0.000 -0.062 1.382) 1.383 6.476 ( 0.000 -0.554 -1.554) 1.650 6.682 ( 0.000 9.744 4.122) 10.580 6.722 ( 0.000 -3.628 -1.953) 4.120 6.790 ( 0.000 -2.939 -1.851) 3.474 6.798 ( 0.000 14.206 2.032) 14.351 7.014 ( 0.000 5.391 1.659) 5.641 7.115 ( 0.000 8.250 -2.537) 8.632 7.162 ( 0.000 -1.434 -0.686) 1.590 7.209 ( 0.000 0.473 -2.204) 2.254 7.298 ( 0.000 7.775 -2.771) 8.254 7.343 ( 0.000 9.013 -3.530) 9.679 7.526 ( 0.000 3.182 1.939) 3.726 7.595 ( 0.000 7.898 -1.586) 8.056 7.837 ( 0.000 -2.787 4.862) 5.604 7.961 ( 0.000 -1.254 -0.366) 1.306 8.076 ( 0.000 8.769 3.771) 9.545 8.275 ( 0.000 5.516 -7.560) 9.358 9.422 ( 0.000 -2.962 -1.984) 3.565 9.435 ( 0.000 -3.383 -2.322) 4.103 10.187 ( 0.000 -3.171 2.339) 3.940 10.254 ( 0.000 -3.513 2.392) 4.250 10.286 ( 0.000 -2.570 -3.324) 4.202 10.460 ( 0.000 -4.033 -8.253) 9.186 ======================= Grid point 201 (68/105) ======================= q-point: ( 0.25 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 1.417 16.025 8.782) 18.328 1.290 ( -0.987 14.522 3.760) 15.034 1.382 ( 1.219 14.611 3.961) 15.188 1.489 ( -3.453 3.851 13.928) 14.857 1.658 ( -1.657 1.801 -6.327) 6.783 1.821 ( -7.248 0.437 -2.077) 7.553 2.061 ( 3.649 4.570 1.666) 6.080 2.142 ( -1.638 10.020 0.471) 10.164 2.245 ( 5.044 1.402 -3.684) 6.401 2.334 ( 0.464 2.469 -1.309) 2.833 2.361 ( 1.522 2.779 -3.511) 4.729 2.541 ( -3.759 -2.019 -9.634) 10.536 2.737 ( 2.256 3.620 16.242) 16.792 2.804 ( -0.803 1.239 2.816) 3.180 2.901 ( 0.444 2.382 1.745) 2.986 2.919 ( -0.125 2.826 0.392) 2.856 3.029 ( 6.164 3.749 8.718) 11.316 3.263 ( 0.620 -0.124 2.242) 2.329 3.307 ( -0.440 0.956 1.188) 1.587 3.424 ( -11.473 1.191 9.213) 14.763 3.819 ( 5.555 0.708 -2.292) 6.050 3.884 ( 9.275 -2.349 -5.397) 10.985 4.017 ( -3.577 -2.552 -7.925) 9.061 4.159 ( -3.769 -2.823 -4.855) 6.763 6.374 ( 1.063 -0.055 1.197) 1.602 6.451 ( -2.302 -0.399 -0.632) 2.420 6.691 ( 0.827 8.312 3.671) 9.124 6.728 ( 0.097 -1.426 -1.529) 2.093 6.769 ( -0.453 5.270 0.537) 5.316 6.809 ( -0.145 6.068 -0.752) 6.116 7.005 ( -0.228 3.665 0.243) 3.680 7.073 ( -3.206 5.201 -2.824) 6.731 7.200 ( 3.365 1.030 0.341) 3.536 7.244 ( 1.652 2.169 -2.398) 3.631 7.311 ( 1.703 8.904 -1.862) 9.255 7.366 ( 2.516 8.794 -2.455) 9.471 7.496 ( -3.620 3.855 1.841) 5.599 7.525 ( -4.874 5.057 0.450) 7.038 7.891 ( 3.665 -2.524 1.427) 4.674 7.957 ( -0.467 -1.428 -0.306) 1.533 8.103 ( 2.914 8.898 2.602) 9.718 8.248 ( -2.829 6.073 -5.830) 8.881 9.426 ( 0.404 -3.095 -1.869) 3.638 9.437 ( 0.096 -3.338 -2.267) 4.036 10.191 ( 0.523 -3.084 2.251) 3.854 10.237 ( -1.429 -3.420 1.287) 3.924 10.318 ( 2.886 -2.806 -3.411) 5.276 10.437 ( -2.260 -3.835 -7.653) 8.853 ======================= Grid point 202 (69/105) ======================= q-point: (-0.50 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -1.407 14.797 6.778) 16.336 1.277 ( 1.407 14.797 6.778) 16.336 1.407 ( -2.971 9.741 11.173) 15.118 1.407 ( 2.971 9.741 11.173) 15.118 1.699 ( -5.157 1.572 -5.950) 8.029 1.699 ( 5.157 1.572 -5.950) 8.029 2.110 ( -1.886 8.419 1.063) 8.693 2.110 ( 1.886 8.419 1.063) 8.693 2.319 ( -2.058 0.427 -2.096) 2.969 2.319 ( 2.058 0.427 -2.096) 2.969 2.438 ( -6.080 0.731 -8.157) 10.200 2.438 ( 6.080 0.731 -8.157) 10.200 2.780 ( -1.842 2.011 7.942) 8.397 2.780 ( 1.842 2.011 7.942) 8.397 2.911 ( -0.580 2.823 1.273) 3.151 2.911 ( 0.580 2.823 1.273) 3.151 3.192 ( -9.856 1.701 9.905) 14.076 3.192 ( 9.856 1.701 9.905) 14.076 3.298 ( -0.252 0.969 3.787) 3.917 3.298 ( 0.252 0.969 3.787) 3.917 3.924 ( -5.554 -0.988 -7.899) 9.707 3.924 ( 5.554 -0.988 -7.899) 9.707 4.052 ( -7.457 -2.726 -3.523) 8.686 4.052 ( 7.457 -2.726 -3.523) 8.686 6.405 ( -2.195 -0.149 0.573) 2.273 6.405 ( 2.195 -0.149 0.573) 2.273 6.711 ( -1.296 4.979 2.031) 5.531 6.711 ( 1.296 4.979 2.031) 5.531 6.789 ( -1.699 4.403 -1.207) 4.872 6.789 ( 1.699 4.403 -1.207) 4.872 7.021 ( -1.950 3.582 -1.623) 4.390 7.021 ( 1.950 3.582 -1.623) 4.390 7.247 ( -1.229 2.246 -1.757) 3.105 7.247 ( 1.229 2.246 -1.757) 3.105 7.374 ( -4.204 11.912 0.993) 12.671 7.374 ( 4.204 11.912 0.993) 12.671 7.454 ( -2.823 1.132 -0.182) 3.047 7.454 ( 2.823 1.132 -0.182) 3.047 7.940 ( -1.530 -2.029 -0.123) 2.544 7.940 ( 1.530 -2.029 -0.123) 2.544 8.177 ( -4.342 7.609 -1.573) 8.901 8.177 ( 4.342 7.609 -1.573) 8.901 9.435 ( -0.392 -3.259 -1.975) 3.832 9.435 ( 0.392 -3.259 -1.975) 3.832 10.209 ( -1.350 -3.163 1.673) 3.824 10.209 ( 1.350 -3.163 1.673) 3.824 10.381 ( -3.482 -3.338 -5.777) 7.526 10.381 ( 3.482 -3.338 -5.777) 7.526 ======================= Grid point 205 (70/105) ======================= q-point: ( 0.00 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.000 9.534 1.452) 9.644 1.465 ( 0.000 2.780 10.648) 11.005 1.672 ( 0.000 16.161 6.689) 17.491 1.672 ( 0.000 3.176 -3.079) 4.424 1.879 ( 0.000 12.087 3.392) 12.554 1.943 ( 0.000 -1.283 -0.212) 1.300 2.082 ( 0.000 14.082 -0.548) 14.092 2.233 ( 0.000 5.194 -5.656) 7.679 2.391 ( 0.000 1.898 -2.465) 3.111 2.418 ( 0.000 5.316 -0.847) 5.383 2.437 ( 0.000 10.779 -0.213) 10.781 2.514 ( 0.000 -3.823 -3.773) 5.371 2.830 ( 0.000 7.166 12.610) 14.503 2.854 ( 0.000 3.855 2.767) 4.745 2.946 ( 0.000 2.577 1.813) 3.151 2.980 ( 0.000 3.649 -1.207) 3.843 3.095 ( 0.000 6.448 5.707) 8.611 3.257 ( 0.000 1.085 2.755) 2.961 3.357 ( 0.000 3.774 -1.568) 4.087 3.632 ( 0.000 -4.179 0.901) 4.275 3.667 ( 0.000 4.248 5.457) 6.915 3.820 ( 0.000 4.019 -0.164) 4.022 3.974 ( 0.000 -4.460 -9.509) 10.503 4.114 ( 0.000 -5.028 -4.803) 6.953 6.383 ( 0.000 1.734 1.654) 2.397 6.472 ( 0.000 0.258 -0.470) 0.536 6.660 ( 0.000 -2.812 -3.068) 4.162 6.703 ( 0.000 -2.850 -2.682) 3.913 6.855 ( 0.000 3.184 5.180) 6.081 7.075 ( 0.000 6.070 -4.140) 7.348 7.105 ( 0.000 3.199 2.164) 3.862 7.164 ( 0.000 4.090 1.349) 4.306 7.236 ( 0.000 8.065 -2.293) 8.385 7.262 ( 0.000 5.950 -2.099) 6.310 7.423 ( 0.000 2.963 1.510) 3.325 7.498 ( 0.000 6.489 -1.738) 6.718 7.728 ( 0.000 13.466 3.250) 13.853 7.810 ( 0.000 3.402 2.570) 4.264 7.901 ( 0.000 20.889 -3.848) 21.241 7.923 ( 0.000 -2.204 -3.969) 4.540 8.305 ( 0.000 14.328 2.758) 14.591 8.439 ( 0.000 10.707 -5.085) 11.854 9.346 ( 0.000 -4.400 -2.387) 5.005 9.349 ( 0.000 -4.933 -2.393) 5.483 10.110 ( 0.000 -4.131 2.621) 4.893 10.166 ( 0.000 -5.071 3.477) 6.149 10.217 ( 0.000 -4.184 -3.203) 5.269 10.356 ( 0.000 -6.074 -6.422) 8.840 ======================= Grid point 206 (71/105) ======================= q-point: ( 0.25 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -1.683 6.643 8.430) 10.864 1.487 ( -2.525 5.160 8.934) 10.622 1.639 ( 1.289 6.437 -1.735) 6.791 1.711 ( 0.994 12.379 0.949) 12.455 1.842 ( -1.552 9.506 0.376) 9.639 1.921 ( -3.468 12.111 2.104) 12.772 2.137 ( 5.418 5.634 -0.602) 7.840 2.256 ( 1.426 5.644 -4.380) 7.285 2.371 ( -1.447 1.949 -2.946) 3.817 2.390 ( -2.834 5.699 -1.784) 6.610 2.452 ( 1.258 6.073 -0.572) 6.228 2.502 ( -1.127 -0.580 -2.962) 3.222 2.836 ( 0.560 5.985 9.127) 10.929 2.854 ( -0.112 3.998 2.966) 4.979 2.958 ( 1.018 3.076 1.506) 3.573 2.982 ( 0.059 3.537 -0.390) 3.559 3.130 ( 3.950 5.635 7.635) 10.278 3.271 ( 0.844 1.314 2.382) 2.848 3.347 ( -0.932 3.466 0.162) 3.592 3.471 ( -8.589 3.533 6.273) 11.207 3.825 ( 7.247 -2.673 -1.979) 7.974 3.849 ( 3.876 2.280 1.228) 4.662 3.955 ( -1.839 -3.058 -9.637) 10.276 4.083 ( -3.373 -4.604 -4.564) 7.308 6.391 ( 0.844 1.573 1.571) 2.378 6.452 ( -1.834 0.566 0.229) 1.933 6.667 ( 0.705 -2.743 -3.030) 4.148 6.697 ( -0.573 -2.730 -2.745) 3.913 6.883 ( 2.729 3.097 4.312) 5.970 7.029 ( -4.289 0.770 0.991) 4.469 7.098 ( 0.907 11.579 -2.466) 11.873 7.177 ( -2.872 6.565 -3.212) 7.852 7.227 ( 3.628 3.406 1.624) 5.235 7.302 ( 1.196 3.702 -1.131) 4.051 7.435 ( 1.484 3.011 0.962) 3.492 7.494 ( -0.500 5.182 -1.535) 5.428 7.725 ( -0.181 15.600 3.196) 15.925 7.775 ( -2.803 13.071 2.561) 13.611 7.912 ( 0.685 10.316 -3.030) 10.774 7.923 ( -0.024 -1.056 -3.881) 4.022 8.328 ( 2.265 13.833 1.199) 14.069 8.422 ( -1.737 11.214 -4.178) 12.093 9.346 ( 0.173 -4.609 -2.174) 5.099 9.352 ( 0.145 -4.853 -2.445) 5.436 10.115 ( 0.531 -4.164 2.624) 4.950 10.153 ( -1.127 -4.754 2.640) 5.553 10.243 ( 2.356 -4.552 -3.249) 6.069 10.338 ( -1.773 -5.817 -5.998) 8.541 ======================= Grid point 207 (72/105) ======================= q-point: (-0.50 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -3.326 5.750 10.479) 12.407 1.412 ( 3.326 5.750 10.479) 12.407 1.694 ( -2.821 7.488 -3.336) 8.670 1.694 ( 2.821 7.488 -3.336) 8.670 1.853 ( -2.663 14.818 2.565) 15.272 1.853 ( 2.663 14.818 2.565) 15.272 2.239 ( -4.100 4.694 -1.279) 6.362 2.239 ( 4.100 4.694 -1.279) 6.362 2.352 ( -0.127 2.282 -3.783) 4.420 2.352 ( 0.127 2.282 -3.783) 4.420 2.477 ( -1.405 3.708 -1.513) 4.244 2.477 ( 1.405 3.708 -1.513) 4.244 2.847 ( -0.551 4.653 4.963) 6.826 2.847 ( 0.551 4.653 4.963) 6.826 2.976 ( -0.709 3.427 0.399) 3.522 2.976 ( 0.709 3.427 0.399) 3.522 3.232 ( -5.543 2.064 6.359) 8.685 3.232 ( 5.543 2.064 6.359) 8.685 3.356 ( -2.966 5.483 4.056) 7.437 3.356 ( 2.966 5.483 4.056) 7.437 3.896 ( -2.814 -1.982 -3.789) 5.119 3.896 ( 2.814 -1.982 -3.789) 5.119 3.990 ( -6.201 -2.769 -4.664) 8.239 3.990 ( 6.201 -2.769 -4.664) 8.239 6.415 ( -1.751 1.136 1.159) 2.387 6.415 ( 1.751 1.136 1.159) 2.387 6.683 ( -0.868 -2.643 -2.885) 4.008 6.683 ( 0.868 -2.643 -2.885) 4.008 6.948 ( -4.046 2.494 2.753) 5.493 6.948 ( 4.046 2.494 2.753) 5.493 7.127 ( -2.165 9.671 -3.208) 10.417 7.127 ( 2.165 9.671 -3.208) 10.417 7.288 ( -2.364 1.694 0.673) 2.985 7.288 ( 2.364 1.694 0.673) 2.985 7.472 ( -1.920 3.172 -0.604) 3.756 7.472 ( 1.920 3.172 -0.604) 3.756 7.733 ( -1.317 18.354 3.012) 18.646 7.733 ( 1.317 18.354 3.012) 18.646 7.920 ( -0.264 2.118 -3.209) 3.854 7.920 ( 0.264 2.118 -3.209) 3.854 8.378 ( -2.728 12.499 -1.780) 12.916 8.378 ( 2.728 12.499 -1.780) 12.916 9.351 ( -0.242 -4.795 -2.227) 5.293 9.351 ( 0.242 -4.795 -2.227) 5.293 10.131 ( -1.083 -4.362 2.494) 5.140 10.131 ( 1.083 -4.362 2.494) 5.140 10.294 ( -2.777 -5.194 -4.713) 7.544 10.294 ( 2.777 -5.194 -4.713) 7.544 ======================= Grid point 210 (73/105) ======================= q-point: ( 0.00 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 5.779 6.690) 8.840 1.648 ( 0.000 10.043 -0.793) 10.074 1.742 ( 0.000 4.418 1.906) 4.812 1.871 ( 0.000 1.960 13.616) 13.757 1.940 ( 0.000 5.519 -5.375) 7.704 2.024 ( 0.000 5.552 -0.068) 5.553 2.331 ( 0.000 1.655 -10.656) 10.784 2.380 ( 0.000 0.176 -7.524) 7.526 2.421 ( 0.000 12.607 1.799) 12.735 2.443 ( 0.000 -1.243 3.384) 3.605 2.510 ( 0.000 3.028 -0.325) 3.045 2.590 ( 0.000 4.343 -2.027) 4.793 2.951 ( 0.000 4.115 4.226) 5.899 2.954 ( 0.000 5.141 3.120) 6.013 2.980 ( 0.000 0.385 1.813) 1.853 3.054 ( 0.000 3.532 0.179) 3.536 3.197 ( 0.000 2.729 3.625) 4.537 3.314 ( 0.000 4.339 0.624) 4.383 3.484 ( 0.000 10.305 1.535) 10.419 3.532 ( 0.000 -4.846 3.087) 5.745 3.786 ( 0.000 5.133 0.841) 5.202 3.880 ( 0.000 -2.471 -5.847) 6.347 3.970 ( 0.000 8.981 -0.830) 9.019 4.026 ( 0.000 -1.403 -1.769) 2.258 6.424 ( 0.000 2.179 1.336) 2.556 6.487 ( 0.000 1.308 -0.258) 1.333 6.607 ( 0.000 -2.556 -2.887) 3.856 6.654 ( 0.000 -1.967 -3.108) 3.679 6.870 ( 0.000 -0.416 5.014) 5.031 7.082 ( 0.000 -1.085 -3.853) 4.003 7.128 ( 0.000 -0.113 1.751) 1.755 7.216 ( 0.000 0.938 -3.231) 3.364 7.376 ( 0.000 1.630 1.872) 2.482 7.398 ( 0.000 5.917 -0.888) 5.984 7.570 ( 0.000 13.080 0.798) 13.105 7.643 ( 0.000 8.714 -0.798) 8.750 7.765 ( 0.000 -0.574 0.317) 0.655 7.866 ( 0.000 -2.952 -4.891) 5.713 8.127 ( 0.000 17.288 5.943) 18.282 8.319 ( 0.000 18.948 -3.525) 19.273 8.618 ( 0.000 16.207 0.409) 16.213 8.671 ( 0.000 11.881 -3.491) 12.383 9.258 ( 0.000 -3.776 -2.276) 4.408 9.263 ( 0.000 -3.609 -2.424) 4.347 10.031 ( 0.000 -4.158 2.833) 5.031 10.069 ( 0.000 -4.162 3.450) 5.406 10.127 ( 0.000 -4.785 -2.558) 5.426 10.234 ( 0.000 -5.888 -4.759) 7.571 ======================= Grid point 211 (74/105) ======================= q-point: ( 0.25 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -0.770 7.351 7.052) 10.216 1.620 ( -4.068 7.316 4.149) 9.343 1.741 ( 2.707 6.061 -1.365) 6.777 1.894 ( -3.706 5.721 -5.131) 8.532 1.947 ( 5.727 3.581 10.698) 12.652 2.058 ( 1.871 4.412 1.488) 5.018 2.293 ( -2.816 3.463 -8.254) 9.383 2.332 ( -3.763 -2.667 -3.121) 5.568 2.429 ( 1.439 8.601 -4.496) 9.811 2.474 ( 0.389 2.599 0.485) 2.672 2.514 ( 1.206 3.952 0.730) 4.195 2.579 ( -1.138 4.120 -0.696) 4.331 2.944 ( -0.180 4.278 3.732) 5.680 2.952 ( -0.244 4.950 3.011) 5.799 3.003 ( 1.719 1.048 1.471) 2.493 3.049 ( -0.589 2.958 0.197) 3.022 3.218 ( 2.214 2.528 3.966) 5.198 3.325 ( -0.285 4.148 1.620) 4.462 3.437 ( -1.153 2.525 1.809) 3.313 3.544 ( -1.545 5.177 -0.278) 5.410 3.797 ( 2.380 -1.017 1.593) 3.039 3.910 ( 1.090 4.731 -1.880) 5.206 3.955 ( -0.583 2.881 -2.933) 4.153 4.016 ( -1.076 1.335 -2.514) 3.043 6.429 ( 0.575 2.113 1.383) 2.590 6.473 ( -1.343 1.520 0.429) 2.074 6.616 ( 0.852 -2.457 -2.979) 3.954 6.649 ( -0.523 -2.025 -3.120) 3.756 6.892 ( 2.210 -0.641 3.477) 4.170 7.018 ( -4.103 -0.879 -1.247) 4.378 7.190 ( 3.879 -0.450 -0.139) 3.907 7.234 ( 1.708 1.717 -2.844) 3.736 7.357 ( -1.827 1.287 2.031) 3.020 7.376 ( -2.116 6.113 -0.444) 6.484 7.576 ( 0.644 10.986 -0.397) 11.012 7.624 ( -1.609 8.044 -1.326) 8.310 7.799 ( 2.905 0.450 0.399) 2.967 7.870 ( -0.010 -1.552 -3.277) 3.627 8.144 ( 1.973 17.738 4.652) 18.444 8.282 ( -3.589 18.906 -1.802) 19.328 8.626 ( 0.808 15.188 -0.859) 15.234 8.665 ( -0.718 12.446 -3.339) 12.906 9.259 ( 0.092 -3.787 -2.219) 4.390 9.263 ( -0.047 -3.841 -2.354) 4.505 10.035 ( 0.446 -4.084 2.973) 5.072 10.062 ( -0.647 -3.997 3.323) 5.238 10.147 ( 1.846 -4.963 -2.960) 6.066 10.221 ( -1.334 -5.713 -4.542) 7.419 ======================= Grid point 212 (75/105) ======================= q-point: (-0.50 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -2.610 7.697 6.868) 10.641 1.548 ( 2.610 7.697 6.868) 10.641 1.815 ( -4.415 5.985 -4.458) 8.671 1.815 ( 4.415 5.985 -4.458) 8.671 2.044 ( -3.671 4.795 7.268) 9.450 2.044 ( 3.671 4.795 7.268) 9.450 2.275 ( -1.571 -0.702 -6.225) 6.459 2.275 ( 1.571 -0.702 -6.225) 6.459 2.458 ( -1.444 6.137 -3.444) 7.183 2.458 ( 1.444 6.137 -3.444) 7.183 2.549 ( -1.903 3.698 1.190) 4.326 2.549 ( 1.903 3.698 1.190) 4.326 2.946 ( -0.294 4.683 3.249) 5.707 2.946 ( 0.294 4.683 3.249) 5.707 3.032 ( -1.236 1.973 0.516) 2.385 3.032 ( 1.236 1.973 0.516) 2.385 3.276 ( -3.633 2.349 4.017) 5.904 3.276 ( 3.633 2.349 4.017) 5.904 3.480 ( -4.164 4.453 -0.910) 6.164 3.480 ( 4.164 4.453 -0.910) 6.164 3.867 ( -4.043 1.086 1.847) 4.576 3.867 ( 4.043 1.086 1.847) 4.576 3.985 ( -2.186 3.012 -4.196) 5.609 3.985 ( 2.186 3.012 -4.196) 5.609 6.446 ( -1.263 1.885 1.224) 2.579 6.446 ( 1.263 1.885 1.224) 2.579 6.634 ( -0.986 -2.219 -3.092) 3.932 6.634 ( 0.986 -2.219 -3.092) 3.932 6.946 ( -3.417 -0.903 0.794) 3.623 6.946 ( 3.417 -0.903 0.794) 3.623 7.248 ( -1.471 0.601 -1.261) 2.029 7.248 ( 1.471 0.601 -1.261) 2.029 7.338 ( -0.953 3.941 0.918) 4.157 7.338 ( 0.953 3.941 0.918) 4.157 7.595 ( -1.329 8.532 -1.510) 8.766 7.595 ( 1.329 8.532 -1.510) 8.766 7.851 ( -2.131 0.401 -0.630) 2.258 7.851 ( 2.131 0.401 -0.630) 2.258 8.204 ( -4.165 18.429 1.488) 18.952 8.204 ( 4.165 18.429 1.488) 18.952 8.646 ( -1.148 13.627 -2.588) 13.918 8.646 ( 1.148 13.627 -2.588) 13.918 9.261 ( -0.098 -3.937 -2.221) 4.522 9.261 ( 0.098 -3.937 -2.221) 4.522 10.047 ( -0.821 -3.942 3.176) 5.129 10.047 ( 0.821 -3.942 3.176) 5.129 10.187 ( -2.168 -5.320 -3.864) 6.923 10.187 ( 2.168 -5.320 -3.864) 6.923 ======================= Grid point 215 (76/105) ======================= q-point: ( 0.00 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.000 7.494 2.743) 7.980 1.808 ( 0.000 4.505 -1.885) 4.883 1.845 ( 0.000 5.787 3.601) 6.816 1.908 ( 0.000 5.659 8.059) 9.848 2.079 ( 0.000 6.146 -3.899) 7.278 2.122 ( 0.000 4.052 -1.559) 4.342 2.290 ( 0.000 -3.441 -4.658) 5.791 2.336 ( 0.000 -2.642 -2.976) 3.979 2.465 ( 0.000 2.079 1.777) 2.735 2.541 ( 0.000 0.160 1.273) 1.283 2.609 ( 0.000 5.148 -3.657) 6.314 2.635 ( 0.000 0.943 -1.864) 2.089 2.958 ( 0.000 -2.154 2.103) 3.011 2.997 ( 0.000 1.034 1.730) 2.016 3.026 ( 0.000 2.159 2.150) 3.047 3.099 ( 0.000 0.890 -0.842) 1.225 3.200 ( 0.000 -1.449 1.072) 1.803 3.334 ( 0.000 -3.050 -3.702) 4.797 3.494 ( 0.000 -0.341 4.397) 4.410 3.716 ( 0.000 -0.245 -2.488) 2.500 3.778 ( 0.000 8.173 1.730) 8.354 3.894 ( 0.000 5.699 -3.046) 6.462 4.160 ( 0.000 11.719 2.000) 11.888 4.190 ( 0.000 11.991 0.873) 12.023 6.462 ( 0.000 1.619 0.923) 1.864 6.520 ( 0.000 1.713 -1.161) 2.069 6.562 ( 0.000 -1.763 -1.564) 2.357 6.626 ( 0.000 -0.917 -3.233) 3.360 6.867 ( 0.000 0.439 3.695) 3.721 7.061 ( 0.000 -1.042 -3.879) 4.016 7.117 ( 0.000 -0.910 1.392) 1.663 7.206 ( 0.000 -1.957 -3.716) 4.200 7.401 ( 0.000 1.928 3.040) 3.600 7.486 ( 0.000 3.446 -1.395) 3.718 7.746 ( 0.000 -0.708 -2.264) 2.372 7.778 ( 0.000 -0.897 -1.490) 1.739 7.834 ( 0.000 12.199 0.308) 12.202 7.865 ( 0.000 8.168 -3.095) 8.735 8.399 ( 0.000 9.714 6.416) 11.642 8.593 ( 0.000 7.849 -2.135) 8.134 8.878 ( 0.000 8.590 -1.909) 8.800 8.891 ( 0.000 10.201 -1.213) 10.273 9.217 ( 0.000 -0.098 -1.740) 1.743 9.222 ( 0.000 0.051 -1.549) 1.550 9.943 ( 0.000 -4.145 2.377) 4.778 10.014 ( 0.000 -1.697 2.822) 3.293 10.028 ( 0.000 -5.132 -2.021) 5.516 10.133 ( 0.000 -4.227 -3.132) 5.261 ======================= Grid point 216 (77/105) ======================= q-point: ( 0.25 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.226 7.846 2.944) 8.383 1.752 ( -3.434 5.958 2.227) 7.228 1.876 ( 2.193 6.661 -1.501) 7.172 1.954 ( 2.198 3.292 4.187) 5.762 2.049 ( -0.490 4.726 0.409) 4.768 2.147 ( 0.757 4.298 -0.005) 4.364 2.267 ( -1.742 -2.619 -3.411) 4.640 2.308 ( -2.633 -1.107 -3.565) 4.568 2.478 ( 1.286 1.067 1.101) 2.001 2.531 ( -0.987 0.328 0.719) 1.264 2.616 ( 0.565 4.099 -3.477) 5.404 2.634 ( -0.179 1.616 -2.257) 2.782 2.988 ( 2.328 -0.849 1.655) 2.980 3.001 ( 0.412 0.934 1.816) 2.083 3.027 ( 0.358 1.959 2.085) 2.883 3.089 ( -1.100 0.978 -0.216) 1.488 3.226 ( 2.784 -1.134 1.125) 3.210 3.367 ( 3.476 -3.547 -4.080) 6.427 3.417 ( -6.200 0.261 3.528) 7.138 3.612 ( -8.018 -3.579 -4.047) 9.669 3.861 ( 7.056 10.902 3.493) 13.448 3.982 ( 5.757 5.433 -2.058) 8.179 4.122 ( -3.391 12.241 2.216) 12.894 4.174 ( -1.956 10.817 0.053) 10.992 6.468 ( 0.624 1.750 1.005) 2.112 6.508 ( -1.086 1.954 -0.110) 2.238 6.573 ( 1.049 -1.832 -2.163) 3.023 6.618 ( -0.805 -1.114 -3.129) 3.418 6.885 ( 1.913 0.251 2.167) 2.901 7.005 ( -3.908 -0.382 -2.136) 4.471 7.164 ( 3.140 -1.949 0.366) 3.714 7.222 ( 1.015 -2.620 -2.353) 3.665 7.394 ( -0.237 2.840 1.814) 3.378 7.466 ( -2.146 3.670 -1.418) 4.482 7.724 ( -1.084 1.669 -2.103) 2.895 7.748 ( -2.272 0.884 -2.339) 3.378 7.869 ( 3.067 9.151 0.114) 9.652 7.902 ( 2.031 7.084 -1.971) 7.628 8.421 ( 2.400 9.694 5.513) 11.408 8.562 ( -3.136 8.442 -0.500) 9.020 8.876 ( -0.036 9.398 -2.167) 9.645 8.889 ( -0.293 9.605 -1.720) 9.762 9.208 ( -0.443 -1.187 -1.554) 2.005 9.219 ( -0.522 -0.160 -1.930) 2.005 9.953 ( 1.000 -3.764 2.555) 4.658 10.000 ( -1.030 -2.565 2.576) 3.779 10.053 ( 1.994 -4.243 -2.009) 5.101 10.123 ( -1.113 -4.165 -3.026) 5.267 ======================= Grid point 217 (78/105) ======================= q-point: (-0.50 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -1.762 7.623 2.932) 8.355 1.702 ( 1.762 7.623 2.932) 8.355 1.928 ( -3.089 5.194 -2.902) 6.704 1.928 ( 3.089 5.194 -2.902) 6.704 2.108 ( -4.468 2.353 6.109) 7.926 2.108 ( 4.468 2.353 6.109) 7.926 2.263 ( -1.554 -0.067 -4.798) 5.044 2.263 ( 1.554 -0.067 -4.798) 5.044 2.506 ( -1.530 0.332 0.571) 1.666 2.506 ( 1.530 0.332 0.571) 1.666 2.627 ( -0.513 2.795 -3.052) 4.170 2.627 ( 0.513 2.795 -3.052) 4.170 3.007 ( -0.222 1.309 1.817) 2.250 3.007 ( 0.222 1.309 1.817) 2.250 3.057 ( -2.211 0.746 0.940) 2.515 3.057 ( 2.211 0.746 0.940) 2.515 3.303 ( -5.321 -0.166 1.861) 5.639 3.303 ( 5.321 -0.166 1.861) 5.639 3.466 ( -6.845 -4.475 -4.121) 9.158 3.466 ( 6.845 -4.475 -4.121) 9.158 3.991 ( -5.663 10.170 3.119) 12.051 3.991 ( 5.663 10.170 3.119) 12.051 4.117 ( -3.654 9.609 -1.002) 10.329 4.117 ( 3.654 9.609 -1.002) 10.329 6.485 ( -1.170 1.967 0.878) 2.451 6.485 ( 1.170 1.967 0.878) 2.451 6.597 ( -1.362 -1.538 -2.797) 3.470 6.597 ( 1.362 -1.538 -2.797) 3.470 6.935 ( -3.282 -0.039 -0.373) 3.304 6.935 ( 3.282 -0.039 -0.373) 3.304 7.215 ( -1.901 -3.009 0.036) 3.559 7.215 ( 1.901 -3.009 0.036) 3.559 7.416 ( -2.538 3.900 -0.763) 4.715 7.416 ( 2.538 3.900 -0.763) 4.715 7.719 ( -0.619 1.958 -2.300) 3.083 7.719 ( 0.619 1.958 -2.300) 3.083 7.913 ( -1.082 7.461 -0.689) 7.571 7.913 ( 1.082 7.461 -0.689) 7.571 8.487 ( -4.248 9.354 2.837) 10.658 8.487 ( 4.248 9.354 2.837) 10.658 8.881 ( -0.480 9.591 -2.334) 9.882 8.881 ( 0.480 9.591 -2.334) 9.882 9.208 ( -0.446 -1.303 -1.822) 2.284 9.208 ( 0.446 -1.303 -1.822) 2.284 9.977 ( -1.378 -3.047 2.735) 4.321 9.977 ( 1.378 -3.047 2.735) 4.321 10.093 ( -1.990 -4.097 -2.668) 5.278 10.093 ( 1.990 -4.097 -2.668) 5.278 ======================= Grid point 220 (79/105) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.000 7.281 0.045) 7.281 1.874 ( 0.000 3.839 -0.139) 3.842 1.956 ( 0.000 5.116 2.672) 5.772 2.054 ( 0.000 6.650 2.604) 7.142 2.133 ( 0.000 -0.878 -4.705) 4.787 2.169 ( 0.000 0.366 -1.719) 1.757 2.258 ( 0.000 0.596 -0.814) 1.009 2.296 ( 0.000 -1.014 -0.804) 1.294 2.500 ( 0.000 0.843 4.019) 4.106 2.540 ( 0.000 0.896 -0.738) 1.161 2.618 ( 0.000 -1.860 -2.236) 2.908 2.662 ( 0.000 0.001 -2.349) 2.349 2.922 ( 0.000 -0.882 1.233) 1.516 2.997 ( 0.000 -1.053 0.222) 1.076 3.052 ( 0.000 0.792 1.359) 1.573 3.100 ( 0.000 -0.420 -1.037) 1.119 3.173 ( 0.000 -0.747 0.611) 0.965 3.267 ( 0.000 -3.037 -2.488) 3.926 3.448 ( 0.000 -3.503 -0.121) 3.505 3.573 ( 0.000 -7.868 -3.754) 8.718 4.042 ( 0.000 12.059 2.569) 12.329 4.070 ( 0.000 9.794 0.394) 9.802 4.384 ( 0.000 9.873 1.565) 9.996 4.408 ( 0.000 9.290 0.931) 9.337 6.487 ( 0.000 0.867 0.373) 0.944 6.524 ( 0.000 -0.997 -1.986) 2.223 6.565 ( 0.000 1.599 -0.572) 1.699 6.614 ( 0.000 -0.417 -2.910) 2.940 6.893 ( 0.000 2.238 1.887) 2.927 7.042 ( 0.000 -0.922 -3.435) 3.557 7.096 ( 0.000 -1.088 0.831) 1.370 7.147 ( 0.000 -3.581 -2.036) 4.119 7.456 ( 0.000 3.378 1.218) 3.591 7.545 ( 0.000 2.459 -1.699) 2.989 7.720 ( 0.000 -1.624 -3.441) 3.805 7.721 ( 0.000 -3.270 -4.033) 5.192 8.065 ( 0.000 10.234 -0.101) 10.234 8.067 ( 0.000 11.075 -0.084) 11.075 8.505 ( 0.000 1.175 4.653) 4.799 8.633 ( 0.000 -2.850 -1.062) 3.042 9.004 ( 0.000 4.125 -0.851) 4.211 9.010 ( 0.000 2.818 -0.989) 2.987 9.248 ( 0.000 2.614 -0.635) 2.690 9.266 ( 0.000 3.314 -0.722) 3.392 9.881 ( 0.000 -2.099 1.262) 2.449 9.934 ( 0.000 -4.093 -1.418) 4.331 9.991 ( 0.000 -0.667 1.902) 2.015 10.063 ( 0.000 -2.991 -1.686) 3.434 ======================= Grid point 221 (80/105) ======================= q-point: ( 0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.218 7.209 -0.093) 7.213 1.861 ( -1.017 5.330 -0.111) 5.427 1.979 ( 1.949 4.319 0.940) 4.831 2.061 ( -0.386 6.159 1.214) 6.289 2.092 ( -0.769 -0.261 -0.378) 0.896 2.211 ( -0.493 1.694 0.483) 1.830 2.226 ( -0.159 -1.878 -1.238) 2.255 2.291 ( -0.692 -0.172 -2.436) 2.538 2.502 ( 0.323 1.111 2.731) 2.966 2.531 ( -0.825 0.749 -0.120) 1.121 2.628 ( 0.861 -1.449 -2.694) 3.178 2.658 ( -0.449 -0.231 -2.650) 2.698 2.960 ( 3.462 -1.022 1.263) 3.824 3.010 ( 1.122 -0.350 0.706) 1.371 3.048 ( -0.332 0.418 1.371) 1.472 3.091 ( -1.063 -0.510 -0.384) 1.240 3.199 ( 2.778 -1.066 0.138) 2.978 3.284 ( 1.933 -3.564 -2.204) 4.615 3.391 ( -5.048 -2.700 -0.890) 5.793 3.494 ( -6.937 -6.547 -3.548) 10.177 4.104 ( 5.725 11.428 2.549) 13.033 4.142 ( 6.034 9.031 0.525) 10.874 4.349 ( -3.418 9.862 1.608) 10.560 4.379 ( -3.065 8.896 0.636) 9.430 6.496 ( 0.972 1.072 0.402) 1.502 6.536 ( 0.897 -0.236 -2.089) 2.286 6.554 ( -0.758 0.894 -0.154) 1.182 6.603 ( -1.157 -0.561 -2.731) 3.019 6.908 ( 1.516 2.005 0.829) 2.647 7.005 ( -2.948 0.430 -2.398) 3.824 7.118 ( 1.557 -2.631 0.232) 3.066 7.151 ( 0.125 -4.124 -1.252) 4.311 7.462 ( 0.906 3.881 0.082) 3.986 7.533 ( -1.395 3.170 -2.086) 4.043 7.710 ( -0.749 -2.979 -3.399) 4.581 7.713 ( -0.603 -1.750 -3.193) 3.691 8.079 ( 1.610 10.704 0.183) 10.826 8.091 ( 1.589 10.416 -0.346) 10.542 8.520 ( 1.674 0.520 3.982) 4.350 8.614 ( -1.931 -2.362 -0.196) 3.057 9.009 ( 0.757 4.084 -0.549) 4.190 9.023 ( 0.972 4.713 -1.282) 4.980 9.211 ( -2.441 1.157 -0.244) 2.713 9.246 ( -2.394 1.917 -1.546) 3.435 9.898 ( 1.701 -1.689 1.461) 2.807 9.949 ( 0.601 -2.587 -0.490) 2.701 9.993 ( 0.639 -1.790 0.835) 2.075 10.053 ( -1.092 -3.020 -1.615) 3.595 ======================= Grid point 222 (81/105) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -0.728 6.729 -0.239) 6.773 1.844 ( 0.728 6.729 -0.239) 6.773 2.020 ( -2.413 4.060 -1.391) 4.923 2.020 ( 2.413 4.060 -1.391) 4.923 2.139 ( -4.047 0.776 4.577) 6.159 2.139 ( 4.047 0.776 4.577) 6.159 2.267 ( -1.920 -0.084 -3.240) 3.767 2.267 ( 1.920 -0.084 -3.240) 3.767 2.514 ( -0.852 0.918 1.072) 1.648 2.514 ( 0.852 0.918 1.072) 1.648 2.645 ( -0.866 -0.774 -3.033) 3.248 2.645 ( 0.866 -0.774 -3.033) 3.248 3.015 ( -1.420 0.016 1.331) 1.946 3.015 ( 1.420 0.016 1.331) 1.946 3.059 ( -1.988 -0.591 0.676) 2.181 3.059 ( 1.988 -0.591 0.676) 2.181 3.275 ( -4.831 -1.936 0.361) 5.217 3.275 ( 4.831 -1.936 0.361) 5.217 3.367 ( -5.240 -4.807 -3.995) 8.156 3.367 ( 5.240 -4.807 -3.995) 8.156 4.208 ( -2.868 10.631 2.328) 11.254 4.208 ( 2.868 10.631 2.328) 11.254 4.309 ( -2.507 8.450 0.311) 8.820 4.309 ( 2.507 8.450 0.311) 8.820 6.521 ( -1.513 1.526 0.175) 2.156 6.521 ( 1.513 1.526 0.175) 2.156 6.573 ( -1.779 -0.889 -2.221) 2.981 6.573 ( 1.779 -0.889 -2.221) 2.981 6.949 ( -2.767 1.448 -1.008) 3.282 6.949 ( 2.767 1.448 -1.008) 3.282 7.143 ( -0.984 -4.052 -0.167) 4.173 7.143 ( 0.984 -4.052 -0.167) 4.173 7.494 ( -2.293 4.051 -1.753) 4.974 7.494 ( 2.293 4.051 -1.753) 4.974 7.704 ( -0.179 -2.287 -2.895) 3.693 7.704 ( 0.179 -2.287 -2.895) 3.693 8.104 ( -0.476 10.530 -0.028) 10.541 8.104 ( 0.476 10.530 -0.028) 10.541 8.566 ( -2.895 -0.996 1.974) 3.642 8.566 ( 2.895 -0.996 1.974) 3.642 9.027 ( -0.752 5.696 -0.743) 5.793 9.027 ( 0.752 5.696 -0.743) 5.793 9.199 ( -1.565 -0.235 -1.273) 2.031 9.199 ( 1.565 -0.235 -1.273) 2.031 9.934 ( -1.750 -1.143 1.376) 2.503 9.934 ( 1.750 -1.143 1.376) 2.503 10.023 ( -1.958 -3.064 -1.234) 3.840 10.023 ( 1.958 -3.064 -1.234) 3.840 ======================= Grid point 225 (82/105) ======================= q-point: ( 0.00 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.000 5.275 -1.784) 5.568 1.967 ( 0.000 4.932 -1.353) 5.114 2.032 ( 0.000 1.432 0.476) 1.509 2.058 ( 0.000 -3.540 -1.359) 3.792 2.143 ( 0.000 -1.434 0.219) 1.451 2.153 ( 0.000 0.123 0.364) 0.384 2.280 ( 0.000 1.630 -0.156) 1.637 2.296 ( 0.000 0.309 0.154) 0.345 2.511 ( 0.000 1.318 3.280) 3.535 2.562 ( 0.000 -3.359 0.372) 3.379 2.585 ( 0.000 2.837 -1.523) 3.220 2.636 ( 0.000 -2.185 -1.933) 2.917 2.929 ( 0.000 1.354 -0.160) 1.363 2.964 ( 0.000 -1.949 -0.680) 2.064 3.068 ( 0.000 0.957 0.784) 1.236 3.088 ( 0.000 -0.900 0.144) 0.912 3.179 ( 0.000 1.338 -0.908) 1.618 3.217 ( 0.000 -2.199 -2.088) 3.032 3.399 ( 0.000 -0.573 -1.495) 1.601 3.442 ( 0.000 -4.832 -2.723) 5.547 4.212 ( 0.000 4.672 1.619) 4.944 4.217 ( 0.000 4.101 1.095) 4.245 4.525 ( 0.000 4.013 1.374) 4.241 4.535 ( 0.000 3.128 1.142) 3.330 6.499 ( 0.000 0.462 -0.202) 0.504 6.508 ( 0.000 -0.556 -0.863) 1.026 6.592 ( 0.000 1.025 -1.802) 2.073 6.606 ( 0.000 -0.450 -2.481) 2.522 6.951 ( 0.000 3.418 -0.069) 3.418 7.014 ( 0.000 -2.377 -2.243) 3.268 7.078 ( 0.000 -0.548 0.153) 0.569 7.086 ( 0.000 -1.839 -0.474) 1.899 7.525 ( 0.000 3.378 -0.135) 3.380 7.571 ( 0.000 -0.474 -0.723) 0.864 7.672 ( 0.000 -0.912 -5.060) 5.141 7.686 ( 0.000 -1.622 -4.486) 4.770 8.245 ( 0.000 7.141 0.366) 7.151 8.257 ( 0.000 6.994 -0.228) 6.998 8.476 ( 0.000 -2.310 2.351) 3.296 8.527 ( 0.000 -6.464 0.012) 6.464 9.044 ( 0.000 1.045 0.017) 1.045 9.049 ( 0.000 0.769 -0.155) 0.785 9.296 ( 0.000 1.875 -0.161) 1.882 9.310 ( 0.000 0.724 -0.496) 0.878 9.859 ( 0.000 -0.160 0.352) 0.386 9.875 ( 0.000 -1.838 -0.453) 1.893 9.989 ( 0.000 0.518 0.601) 0.793 10.014 ( 0.000 -1.946 -0.612) 2.040 ======================= Grid point 226 (83/105) ======================= q-point: ( 0.25 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.238 5.070 -1.034) 5.180 1.968 ( 0.122 5.706 -1.213) 5.835 2.038 ( 0.702 -0.147 0.269) 0.766 2.055 ( -0.127 -2.507 -0.520) 2.563 2.140 ( 0.439 1.425 1.135) 1.874 2.185 ( 2.547 -2.319 -1.391) 3.714 2.238 ( -3.504 2.509 1.069) 4.440 2.284 ( -1.640 -1.238 -1.129) 2.345 2.524 ( 1.218 1.828 2.124) 3.055 2.570 ( -0.274 0.991 -0.141) 1.037 2.582 ( 0.670 -1.239 -0.947) 1.697 2.628 ( -0.814 -2.373 -1.772) 3.072 2.961 ( 3.020 0.956 0.138) 3.171 2.988 ( 2.330 -1.545 -0.195) 2.803 3.058 ( -1.053 0.812 0.813) 1.558 3.077 ( -1.227 -0.908 0.266) 1.550 3.197 ( 1.957 0.950 -1.124) 2.449 3.230 ( 1.503 -2.165 -2.138) 3.394 3.349 ( -4.536 -0.618 -1.635) 4.862 3.384 ( -5.265 -4.027 -2.622) 7.129 4.270 ( 5.469 4.756 1.580) 7.418 4.279 ( 5.725 3.783 1.078) 6.946 4.489 ( -3.695 3.968 1.402) 5.600 4.500 ( -3.603 2.954 1.077) 4.782 6.512 ( 1.339 0.627 -0.302) 1.509 6.524 ( 1.524 -0.592 -1.050) 1.943 6.578 ( -1.401 1.026 -1.381) 2.219 6.593 ( -1.352 -0.517 -2.183) 2.620 6.962 ( 1.179 3.367 -0.346) 3.584 7.015 ( -0.221 -0.363 -2.171) 2.212 7.063 ( -1.025 -2.129 0.186) 2.370 7.079 ( -0.777 -2.597 -0.682) 2.795 7.540 ( 1.469 3.721 -0.960) 4.114 7.581 ( 0.742 0.830 -1.502) 1.869 7.654 ( -1.470 -1.642 -4.152) 4.701 7.673 ( -1.317 -2.171 -3.878) 4.635 8.271 ( 2.356 8.052 0.500) 8.405 8.285 ( 2.280 8.047 -0.174) 8.365 8.470 ( -0.380 -4.017 2.058) 4.529 8.511 ( -1.584 -6.806 0.180) 6.990 9.064 ( 2.243 1.826 0.189) 2.899 9.078 ( 2.790 0.775 -0.441) 2.929 9.241 ( -4.823 1.660 0.137) 5.103 9.264 ( -4.471 -0.294 -0.786) 4.549 9.886 ( 2.514 0.374 0.467) 2.585 9.907 ( 2.751 -1.611 -0.558) 3.237 9.978 ( -1.166 0.285 0.597) 1.341 10.002 ( -1.243 -2.034 -0.598) 2.457 ======================= Grid point 227 (84/105) ======================= q-point: (-0.50 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -0.166 5.674 -0.684) 5.717 1.968 ( 0.166 5.674 -0.684) 5.717 2.052 ( -0.441 -1.974 0.125) 2.027 2.052 ( 0.441 -1.974 0.125) 2.027 2.170 ( -2.860 3.279 1.145) 4.500 2.170 ( 2.860 3.279 1.145) 4.500 2.240 ( -2.820 -2.824 -1.716) 4.344 2.240 ( 2.820 -2.824 -1.716) 4.344 2.550 ( -1.350 2.634 0.384) 2.985 2.550 ( 1.350 2.634 0.384) 2.985 2.607 ( -1.393 -2.756 -1.175) 3.304 2.607 ( 1.393 -2.756 -1.175) 3.304 3.021 ( -2.435 0.708 0.637) 2.615 3.021 ( 2.435 0.708 0.637) 2.615 3.040 ( -2.231 -1.093 0.396) 2.515 3.040 ( 2.231 -1.093 0.396) 2.515 3.254 ( -3.485 0.215 -1.171) 3.683 3.254 ( 3.485 0.215 -1.171) 3.683 3.288 ( -3.465 -3.030 -2.823) 5.400 3.288 ( 3.465 -3.030 -2.823) 5.400 4.376 ( -1.855 5.696 1.592) 6.198 4.376 ( 1.855 5.696 1.592) 6.198 4.416 ( -1.866 1.867 0.949) 2.805 4.416 ( 1.866 1.867 0.949) 2.805 6.545 ( -1.911 0.929 -0.715) 2.242 6.545 ( 1.911 0.929 -0.715) 2.242 6.559 ( -2.005 -0.628 -1.531) 2.600 6.559 ( 2.005 -0.628 -1.531) 2.600 6.993 ( -1.833 2.942 -1.042) 3.619 6.993 ( 1.833 2.942 -1.042) 3.619 7.062 ( -0.794 -3.974 -0.655) 4.105 7.062 ( 0.794 -3.974 -0.655) 4.105 7.574 ( -1.719 3.916 -2.454) 4.931 7.574 ( 1.719 3.916 -2.454) 4.931 7.647 ( -0.993 -3.381 -2.842) 4.528 7.647 ( 0.993 -3.381 -2.842) 4.528 8.307 ( -0.643 9.727 0.364) 9.755 8.307 ( 0.643 9.727 0.364) 9.755 8.478 ( -1.440 -7.126 0.962) 7.334 8.478 ( 1.440 -7.126 0.962) 7.334 9.120 ( -1.934 3.822 -0.004) 4.283 9.120 ( 1.934 3.822 -0.004) 4.283 9.179 ( -2.269 -2.010 -0.497) 3.072 9.179 ( 2.269 -2.010 -0.497) 3.072 9.934 ( -1.787 1.040 0.322) 2.093 9.934 ( 1.787 1.040 0.322) 2.093 9.969 ( -1.842 -2.365 -0.362) 3.019 9.969 ( 1.842 -2.365 -0.362) 3.019 ======================= Grid point 260 (85/105) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 0.000 -3.630) 3.630 1.093 ( 0.000 0.000 3.630) 3.630 1.391 ( 0.000 0.000 -10.424) 10.424 1.391 ( 0.000 0.000 10.424) 10.424 1.914 ( 0.000 0.000 -11.519) 11.519 1.914 ( 0.000 0.000 11.519) 11.519 1.991 ( 0.000 0.000 -0.837) 0.837 1.991 ( 0.000 0.000 0.837) 0.837 2.242 ( 0.000 0.000 -18.689) 18.689 2.242 ( 0.000 0.000 18.689) 18.689 2.296 ( 0.000 0.000 -0.060) 0.060 2.296 ( 0.000 0.000 0.060) 0.060 2.829 ( 0.000 0.000 -0.195) 0.195 2.829 ( 0.000 0.000 0.195) 0.195 2.896 ( 0.000 0.000 -0.278) 0.278 2.896 ( 0.000 0.000 0.278) 0.278 3.271 ( 0.000 0.000 -4.223) 4.223 3.271 ( 0.000 0.000 4.223) 4.223 3.413 ( 0.000 0.000 -21.287) 21.287 3.413 ( 0.000 0.000 21.287) 21.287 3.712 ( 0.000 0.000 -3.723) 3.723 3.712 ( 0.000 0.000 3.723) 3.723 4.095 ( 0.000 0.000 -6.429) 6.429 4.095 ( 0.000 0.000 6.429) 6.429 6.412 ( 0.000 0.000 -3.454) 3.454 6.412 ( 0.000 0.000 3.454) 3.454 6.663 ( 0.000 0.000 -2.822) 2.822 6.663 ( 0.000 0.000 2.822) 2.822 6.824 ( 0.000 0.000 -2.566) 2.566 6.824 ( 0.000 0.000 2.566) 2.566 6.902 ( 0.000 0.000 -1.566) 1.566 6.902 ( 0.000 0.000 1.566) 1.566 7.182 ( 0.000 0.000 -0.357) 0.357 7.182 ( 0.000 0.000 0.357) 0.357 7.196 ( 0.000 0.000 -0.982) 0.982 7.196 ( 0.000 0.000 0.982) 0.982 7.526 ( 0.000 0.000 -0.699) 0.699 7.526 ( 0.000 0.000 0.699) 0.699 7.991 ( 0.000 0.000 -0.099) 0.099 7.991 ( 0.000 0.000 0.099) 0.099 8.045 ( 0.000 0.000 -8.073) 8.073 8.045 ( 0.000 0.000 8.073) 8.073 9.440 ( 0.000 0.000 -0.529) 0.529 9.440 ( 0.000 0.000 0.529) 0.529 10.254 ( 0.000 0.000 -2.126) 2.126 10.254 ( 0.000 0.000 2.126) 2.126 10.362 ( 0.000 0.000 -4.980) 4.980 10.362 ( 0.000 0.000 4.980) 4.980 ======================= Grid point 262 (86/105) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.011 0.000 -2.567) 2.567 1.094 ( 0.011 0.000 2.567) 2.567 1.427 ( 3.674 0.000 -9.561) 10.242 1.427 ( 3.674 0.000 9.561) 10.242 1.812 ( -8.611 0.000 -8.393) 12.024 1.812 ( -8.611 0.000 8.393) 12.024 1.991 ( 0.004 0.000 -0.592) 0.592 1.991 ( 0.004 0.000 0.592) 0.592 2.278 ( 2.430 0.000 -11.155) 11.417 2.278 ( 2.430 0.000 11.155) 11.417 2.296 ( 0.008 0.000 -0.043) 0.043 2.296 ( 0.008 0.000 0.043) 0.043 2.838 ( 0.763 0.000 -0.301) 0.820 2.838 ( 0.763 0.000 0.301) 0.820 2.896 ( -0.010 0.000 -0.197) 0.197 2.896 ( -0.010 0.000 0.197) 0.197 3.283 ( 0.921 0.000 -2.328) 2.503 3.283 ( 0.921 0.000 2.328) 2.503 3.407 ( -0.508 0.000 -14.869) 14.878 3.407 ( -0.508 0.000 14.869) 14.878 3.743 ( 2.691 0.000 -1.915) 3.303 3.743 ( 2.691 0.000 1.915) 3.303 4.075 ( -1.757 0.000 -5.351) 5.632 4.075 ( -1.757 0.000 5.351) 5.632 6.411 ( -0.074 0.000 -2.511) 2.512 6.411 ( -0.074 0.000 2.511) 2.512 6.664 ( 0.054 0.000 -2.005) 2.006 6.664 ( 0.054 0.000 2.005) 2.006 6.805 ( -1.457 0.000 -2.114) 2.568 6.805 ( -1.457 0.000 2.114) 2.568 6.901 ( -0.054 0.000 -1.119) 1.120 6.901 ( -0.054 0.000 1.119) 1.120 7.182 ( -0.007 0.000 -0.253) 0.253 7.182 ( -0.007 0.000 0.253) 0.253 7.240 ( 3.955 0.000 -2.004) 4.433 7.240 ( 3.955 0.000 2.004) 4.433 7.494 ( -3.031 0.000 -0.573) 3.085 7.494 ( -3.031 0.000 0.573) 3.085 7.991 ( 0.007 0.000 -0.070) 0.070 7.991 ( 0.007 0.000 0.070) 0.070 8.054 ( 0.695 0.000 -5.512) 5.555 8.054 ( 0.695 0.000 5.512) 5.555 9.445 ( 0.373 0.000 -0.408) 0.553 9.445 ( 0.373 0.000 0.408) 0.553 10.251 ( -0.272 0.000 -1.533) 1.557 10.251 ( -0.272 0.000 1.533) 1.557 10.359 ( -0.219 0.000 -3.556) 3.563 10.359 ( -0.219 0.000 3.556) 3.563 ======================= Grid point 264 (87/105) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 0.000 0.000) 0.000 1.094 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.694 ( -0.000 0.000 0.000) 0.000 1.694 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 -0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 -0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 4.052 ( -0.000 0.000 -0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 7.182 ( 0.000 0.000 0.000) 0.000 7.182 ( 0.000 0.000 0.000) 0.000 7.296 ( -0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.991 ( 0.000 0.000 0.000) 0.000 7.991 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 10.247 ( 0.000 0.000 -0.000) 0.000 10.247 ( 0.000 0.000 0.000) 0.000 10.357 ( 0.000 0.000 -0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 270 (88/105) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 21.414 -2.754) 21.590 1.354 ( 0.000 21.414 2.754) 21.590 1.422 ( 0.000 3.114 -8.652) 9.196 1.422 ( 0.000 3.114 8.652) 9.196 1.851 ( 0.000 -1.131 -8.251) 8.328 1.851 ( 0.000 -1.131 8.251) 8.328 2.088 ( 0.000 2.632 -4.628) 5.324 2.088 ( 0.000 2.632 4.628) 5.324 2.279 ( 0.000 6.230 -8.498) 10.537 2.279 ( 0.000 6.230 8.498) 10.537 2.339 ( 0.000 3.257 -4.166) 5.288 2.339 ( 0.000 3.257 4.166) 5.288 2.835 ( 0.000 1.061 -0.027) 1.061 2.835 ( 0.000 1.061 0.027) 1.061 2.924 ( 0.000 2.512 -0.623) 2.588 2.924 ( 0.000 2.512 0.623) 2.588 3.274 ( 0.000 0.297 -3.104) 3.118 3.274 ( 0.000 0.297 3.104) 3.118 3.414 ( 0.000 0.249 -20.038) 20.039 3.414 ( 0.000 0.249 20.038) 20.039 3.725 ( 0.000 1.462 -4.068) 4.323 3.725 ( 0.000 1.462 4.068) 4.323 4.063 ( 0.000 -3.066 -6.698) 7.366 4.063 ( 0.000 -3.066 6.698) 7.366 6.414 ( 0.000 0.401 -3.424) 3.448 6.414 ( 0.000 0.401 3.424) 3.448 6.724 ( 0.000 -3.630 -0.891) 3.738 6.724 ( 0.000 -3.630 0.891) 3.738 6.795 ( 0.000 10.145 -2.289) 10.400 6.795 ( 0.000 10.145 2.289) 10.400 7.056 ( 0.000 7.570 -2.517) 7.977 7.056 ( 0.000 7.570 2.517) 7.977 7.168 ( 0.000 -0.019 -1.301) 1.301 7.168 ( 0.000 -0.019 1.301) 1.301 7.288 ( 0.000 9.215 -1.524) 9.340 7.288 ( 0.000 9.215 1.524) 9.340 7.563 ( 0.000 4.923 -1.681) 5.202 7.563 ( 0.000 4.923 1.681) 5.202 7.923 ( 0.000 -3.831 -3.304) 5.059 7.923 ( 0.000 -3.831 3.304) 5.059 8.156 ( 0.000 8.255 -4.475) 9.390 8.156 ( 0.000 8.255 4.475) 9.390 9.406 ( 0.000 -3.311 -0.403) 3.335 9.406 ( 0.000 -3.311 0.403) 3.335 10.225 ( 0.000 -2.714 -2.332) 3.578 10.225 ( 0.000 -2.714 2.332) 3.578 10.330 ( 0.000 -3.123 -4.831) 5.752 10.330 ( 0.000 -3.123 4.831) 5.752 ======================= Grid point 272 (89/105) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.539 18.980 -0.628) 18.998 1.344 ( -0.539 18.980 0.628) 18.998 1.468 ( 4.346 5.398 -7.106) 9.926 1.468 ( 4.346 5.398 7.106) 9.926 1.759 ( -7.886 -1.131 -7.066) 10.649 1.759 ( -7.886 -1.131 7.066) 10.649 2.112 ( 1.542 6.218 -2.902) 7.033 2.112 ( 1.542 6.218 2.902) 7.033 2.287 ( 0.800 3.414 -7.555) 8.330 2.287 ( 0.800 3.414 7.555) 8.330 2.332 ( -0.703 2.763 -2.906) 4.071 2.332 ( -0.703 2.763 2.906) 4.071 2.845 ( 0.866 1.087 -0.623) 1.523 2.845 ( 0.866 1.087 0.623) 1.523 2.922 ( -0.235 2.306 -0.657) 2.409 2.922 ( -0.235 2.306 0.657) 2.409 3.285 ( 0.881 0.278 -1.650) 1.891 3.285 ( 0.881 0.278 1.650) 1.891 3.411 ( -0.232 0.533 -14.175) 14.187 3.411 ( -0.232 0.533 14.175) 14.187 3.751 ( 2.274 0.976 -2.369) 3.426 3.751 ( 2.274 0.976 2.369) 3.426 4.046 ( -1.594 -2.877 -5.493) 6.403 4.046 ( -1.594 -2.877 5.493) 6.403 6.413 ( -0.082 0.413 -2.453) 2.489 6.413 ( -0.082 0.413 2.453) 2.489 6.720 ( -0.314 -3.788 -0.738) 3.872 6.720 ( -0.314 -3.788 0.738) 3.872 6.799 ( 0.251 11.250 -1.965) 11.423 6.799 ( 0.251 11.250 1.965) 11.423 7.020 ( -2.300 4.768 -1.681) 5.555 7.020 ( -2.300 4.768 1.681) 5.555 7.204 ( 1.908 2.630 -0.966) 3.390 7.204 ( 1.908 2.630 0.966) 3.390 7.321 ( 3.744 8.825 -1.938) 9.780 7.321 ( 3.744 8.825 1.938) 9.780 7.523 ( -3.922 4.381 -0.710) 5.922 7.523 ( -3.922 4.381 0.710) 5.922 7.929 ( 0.476 -3.592 -2.070) 4.173 7.929 ( 0.476 -3.592 2.070) 4.173 8.159 ( 0.285 8.095 -3.175) 8.700 8.159 ( 0.285 8.095 3.175) 8.700 9.410 ( 0.331 -3.357 -0.329) 3.389 9.410 ( 0.331 -3.357 0.329) 3.389 10.223 ( -0.210 -2.633 -1.662) 3.121 10.223 ( -0.210 -2.633 1.662) 3.121 10.327 ( -0.190 -3.101 -3.442) 4.637 10.327 ( -0.190 -3.101 3.442) 4.637 ======================= Grid point 274 (90/105) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -0.000 18.554 0.000) 18.554 1.339 ( 0.000 18.554 0.000) 18.554 1.552 ( -0.000 8.170 0.000) 8.170 1.552 ( 0.000 8.170 0.000) 8.170 1.634 ( 0.000 -3.313 -0.000) 3.313 1.634 ( 0.000 -3.313 0.000) 3.313 2.127 ( -0.000 9.164 0.000) 9.164 2.127 ( 0.000 9.164 0.000) 9.164 2.300 ( 0.000 -0.169 0.000) 0.169 2.300 ( 0.000 -0.169 0.000) 0.169 2.320 ( 0.000 3.369 -0.000) 3.369 2.320 ( 0.000 3.369 -0.000) 3.369 2.856 ( 0.000 1.117 0.000) 1.117 2.856 ( 0.000 1.117 0.000) 1.117 2.919 ( 0.000 2.083 0.000) 2.083 2.919 ( 0.000 2.083 0.000) 2.083 3.295 ( -0.000 0.252 0.000) 0.252 3.295 ( 0.000 0.252 0.000) 0.252 3.408 ( 0.000 0.798 -0.000) 0.798 3.408 ( 0.000 0.798 0.000) 0.798 3.781 ( 0.000 0.482 0.000) 0.482 3.781 ( 0.000 0.482 0.000) 0.482 4.024 ( 0.000 -2.653 0.000) 2.653 4.024 ( 0.000 -2.653 0.000) 2.653 6.412 ( 0.000 0.424 0.000) 0.424 6.412 ( 0.000 0.424 0.000) 0.424 6.716 ( 0.000 -3.965 0.000) 3.965 6.716 ( 0.000 -3.965 0.000) 3.965 6.802 ( -0.000 12.475 -0.000) 12.475 6.802 ( 0.000 12.475 -0.000) 12.475 6.996 ( -0.000 3.186 -0.000) 3.186 6.996 ( 0.000 3.186 -0.000) 3.186 7.220 ( 0.000 4.127 0.000) 4.127 7.220 ( 0.000 4.127 0.000) 4.127 7.397 ( -0.000 12.042 0.000) 12.042 7.397 ( 0.000 12.042 0.000) 12.042 7.449 ( 0.000 0.100 -0.000) 0.100 7.449 ( 0.000 0.100 0.000) 0.100 7.934 ( -0.000 -3.383 -0.000) 3.383 7.934 ( 0.000 -3.383 0.000) 3.383 8.163 ( -0.000 7.931 0.000) 7.931 8.163 ( 0.000 7.931 0.000) 7.931 9.414 ( 0.000 -3.405 0.000) 3.405 9.414 ( 0.000 -3.405 0.000) 3.405 10.220 ( 0.000 -2.546 -0.000) 2.546 10.220 ( 0.000 -2.546 0.000) 2.546 10.325 ( 0.000 -3.083 -0.000) 3.083 10.325 ( 0.000 -3.083 0.000) 3.083 ======================= Grid point 280 (91/105) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.000 5.563 -3.964) 6.831 1.510 ( 0.000 5.563 3.964) 6.831 1.696 ( 0.000 9.025 -3.830) 9.804 1.696 ( 0.000 9.025 3.830) 9.804 1.967 ( 0.000 13.736 -0.188) 13.737 1.967 ( 0.000 13.736 0.188) 13.737 2.088 ( 0.000 -0.885 -5.509) 5.580 2.088 ( 0.000 -0.885 5.509) 5.580 2.391 ( 0.000 3.437 -1.838) 3.898 2.391 ( 0.000 3.437 1.838) 3.898 2.446 ( 0.000 6.568 -1.555) 6.750 2.446 ( 0.000 6.568 1.555) 6.750 2.890 ( 0.000 4.607 -1.016) 4.718 2.890 ( 0.000 4.607 1.016) 4.718 2.981 ( 0.000 2.908 -1.107) 3.111 2.981 ( 0.000 2.908 1.107) 3.111 3.284 ( 0.000 0.704 -1.876) 2.004 3.284 ( 0.000 0.704 1.876) 2.004 3.436 ( 0.000 2.421 -14.291) 14.494 3.436 ( 0.000 2.421 14.291) 14.494 3.774 ( 0.000 3.444 -4.882) 5.974 3.774 ( 0.000 3.444 4.882) 5.974 3.984 ( 0.000 -4.253 -7.116) 8.290 3.984 ( 0.000 -4.253 7.116) 8.290 6.430 ( 0.000 1.187 -2.832) 3.071 6.430 ( 0.000 1.187 2.832) 3.071 6.653 ( 0.000 -3.118 -1.750) 3.575 6.653 ( 0.000 -3.118 1.750) 3.575 6.972 ( 0.000 3.830 -5.821) 6.968 6.972 ( 0.000 3.830 5.821) 6.968 7.157 ( 0.000 1.780 -2.530) 3.093 7.157 ( 0.000 1.780 2.530) 3.093 7.222 ( 0.000 8.887 -1.599) 9.029 7.222 ( 0.000 8.887 1.599) 9.029 7.459 ( 0.000 6.056 -1.994) 6.376 7.459 ( 0.000 6.056 1.994) 6.376 7.804 ( 0.000 13.855 -4.244) 14.491 7.804 ( 0.000 13.855 4.244) 14.491 7.868 ( 0.000 3.292 -2.891) 4.381 7.868 ( 0.000 3.292 2.891) 4.381 8.361 ( 0.000 12.435 -2.974) 12.786 8.361 ( 0.000 12.435 2.974) 12.786 9.322 ( 0.000 -4.770 -0.105) 4.772 9.322 ( 0.000 -4.770 0.105) 4.772 10.157 ( 0.000 -3.838 -2.503) 4.582 10.157 ( 0.000 -3.838 2.503) 4.582 10.246 ( 0.000 -5.040 -4.499) 6.756 10.246 ( 0.000 -5.040 4.499) 6.756 ======================= Grid point 282 (92/105) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 2.012 5.604 -5.770) 8.291 1.528 ( 2.012 5.604 5.770) 8.291 1.670 ( -2.914 5.883 -5.894) 8.823 1.670 ( -2.914 5.883 5.894) 8.823 1.914 ( -3.061 16.241 -3.856) 16.970 1.914 ( -3.061 16.240 3.856) 16.970 2.153 ( 4.642 0.207 -3.819) 6.015 2.153 ( 4.642 0.207 3.819) 6.015 2.356 ( -3.018 2.594 -1.321) 4.193 2.356 ( -3.018 2.593 1.321) 4.193 2.456 ( 0.553 7.557 -1.139) 7.662 2.456 ( 0.553 7.557 1.139) 7.662 2.896 ( 0.537 4.201 -0.963) 4.344 2.896 ( 0.537 4.201 0.963) 4.344 2.975 ( -0.491 2.873 -1.209) 3.155 2.975 ( -0.491 2.873 1.209) 3.155 3.297 ( 1.019 0.940 -1.172) 1.815 3.297 ( 1.019 0.940 1.172) 1.815 3.435 ( -0.063 2.105 -10.321) 10.534 3.435 ( -0.063 2.105 10.321) 10.534 3.789 ( 1.303 2.996 -3.123) 4.520 3.789 ( 1.303 2.996 3.123) 4.520 3.972 ( -1.091 -3.930 -5.623) 6.946 3.972 ( -1.091 -3.930 5.623) 6.946 6.430 ( -0.013 1.257 -2.031) 2.389 6.430 ( -0.013 1.257 2.031) 2.389 6.651 ( -0.162 -3.012 -1.283) 3.278 6.651 ( -0.162 -3.012 1.283) 3.278 6.982 ( 0.941 1.999 -4.814) 5.297 6.982 ( 0.941 1.999 4.814) 5.297 7.111 ( -2.928 7.994 -2.979) 9.020 7.111 ( -2.928 7.994 2.979) 9.020 7.267 ( 2.706 4.375 -2.096) 5.555 7.267 ( 2.706 4.375 2.096) 5.555 7.462 ( 0.253 4.439 -1.597) 4.724 7.462 ( 0.253 4.439 1.597) 4.724 7.790 ( -1.152 19.005 -2.428) 19.194 7.790 ( -1.152 19.005 2.428) 19.194 7.872 ( 0.309 -0.125 -1.502) 1.539 7.872 ( 0.309 -0.125 1.502) 1.539 8.361 ( 0.003 12.215 -2.095) 12.393 8.361 ( 0.003 12.215 2.095) 12.393 9.324 ( 0.235 -4.836 -0.156) 4.844 9.324 ( 0.235 -4.836 0.156) 4.844 10.158 ( 0.042 -3.607 -1.868) 4.062 10.158 ( 0.042 -3.607 1.868) 4.062 10.244 ( -0.222 -5.117 -3.286) 6.085 10.244 ( -0.222 -5.117 3.286) 6.085 ======================= Grid point 284 (93/105) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -0.000 7.871 0.000) 7.871 1.574 ( 0.000 7.871 0.000) 7.871 1.610 ( -0.000 1.020 -0.000) 1.020 1.610 ( 0.000 1.020 -0.000) 1.020 1.886 ( 0.000 19.234 0.000) 19.234 1.886 ( 0.000 19.234 0.000) 19.234 2.213 ( -0.000 0.293 0.000) 0.293 2.213 ( 0.000 0.293 0.000) 0.293 2.311 ( -0.000 2.062 0.000) 2.062 2.311 ( 0.000 2.062 0.000) 2.062 2.461 ( -0.000 8.218 0.000) 8.218 2.461 ( 0.000 8.218 0.000) 8.218 2.903 ( 0.000 3.787 0.000) 3.787 2.903 ( 0.000 3.787 0.000) 3.787 2.969 ( 0.000 2.858 -0.000) 2.858 2.969 ( 0.000 2.858 0.000) 2.858 3.309 ( 0.000 1.253 0.000) 1.253 3.309 ( 0.000 1.253 0.000) 1.253 3.434 ( 0.000 1.739 -0.000) 1.739 3.434 ( 0.000 1.739 0.000) 1.739 3.806 ( 0.000 2.500 0.000) 2.500 3.806 ( 0.000 2.500 0.000) 2.500 3.958 ( 0.000 -3.570 0.000) 3.570 3.958 ( 0.000 -3.570 0.000) 3.570 6.430 ( 0.000 1.330 0.000) 1.330 6.430 ( 0.000 1.330 0.000) 1.330 6.649 ( 0.000 -2.922 0.000) 2.922 6.649 ( 0.000 -2.922 0.000) 2.922 6.995 ( -0.000 -1.740 0.000) 1.740 6.995 ( 0.000 -1.740 0.000) 1.740 7.078 ( 0.000 13.028 -0.000) 13.028 7.078 ( 0.000 13.028 -0.000) 13.028 7.295 ( -0.000 3.162 0.000) 3.162 7.295 ( 0.000 3.162 0.000) 3.162 7.466 ( 0.000 2.308 -0.000) 2.308 7.466 ( 0.000 2.308 0.000) 2.308 7.776 ( -0.000 23.448 0.000) 23.448 7.776 ( 0.000 23.448 0.000) 23.448 7.875 ( 0.000 -2.523 0.000) 2.523 7.875 ( 0.000 -2.523 0.000) 2.523 8.361 ( -0.000 11.998 -0.000) 11.998 8.361 ( 0.000 11.998 -0.000) 11.998 9.327 ( 0.000 -4.904 0.000) 4.904 9.327 ( 0.000 -4.904 0.000) 4.904 10.158 ( 0.000 -3.357 -0.000) 3.357 10.158 ( 0.000 -3.357 0.000) 3.357 10.241 ( 0.000 -5.211 -0.000) 5.211 10.241 ( 0.000 -5.211 0.000) 5.211 ======================= Grid point 290 (94/105) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 6.201 -1.452) 6.369 1.629 ( 0.000 6.201 1.452) 6.369 1.821 ( 0.000 5.886 -5.604) 8.127 1.821 ( 0.000 5.886 5.604) 8.127 2.079 ( 0.000 0.144 -0.771) 0.784 2.079 ( 0.000 0.144 0.771) 0.784 2.191 ( 0.000 5.964 -5.042) 7.809 2.191 ( 0.000 5.964 5.042) 7.809 2.475 ( 0.000 4.811 -1.748) 5.119 2.475 ( 0.000 4.811 1.748) 5.119 2.531 ( 0.000 2.792 -3.351) 4.362 2.531 ( 0.000 2.792 3.351) 4.362 2.984 ( 0.000 3.609 -0.128) 3.611 2.984 ( 0.000 3.609 0.128) 3.611 3.030 ( 0.000 1.889 -2.430) 3.078 3.030 ( 0.000 1.889 2.430) 3.078 3.289 ( 0.000 -0.709 -3.646) 3.715 3.289 ( 0.000 -0.709 3.646) 3.715 3.535 ( 0.000 7.834 -2.651) 8.270 3.535 ( 0.000 7.834 2.651) 8.270 3.798 ( 0.000 -2.913 -1.091) 3.110 3.798 ( 0.000 -2.913 1.091) 3.110 3.986 ( 0.000 6.991 -1.650) 7.183 3.986 ( 0.000 6.991 1.650) 7.183 6.458 ( 0.000 1.521 -2.046) 2.549 6.458 ( 0.000 1.521 2.046) 2.549 6.601 ( 0.000 -2.096 -1.771) 2.744 6.601 ( 0.000 -2.096 1.771) 2.744 6.983 ( 0.000 -0.952 -5.650) 5.730 6.983 ( 0.000 -0.952 5.650) 5.730 7.165 ( 0.000 -0.330 -1.971) 1.998 7.165 ( 0.000 -0.330 1.971) 1.998 7.391 ( 0.000 5.302 -0.056) 5.302 7.391 ( 0.000 5.302 0.056) 5.302 7.609 ( 0.000 10.407 -2.424) 10.686 7.609 ( 0.000 10.407 2.424) 10.686 7.788 ( 0.000 -2.693 -2.339) 3.567 7.788 ( 0.000 -2.693 2.339) 3.567 8.238 ( 0.000 18.934 -4.831) 19.541 8.238 ( 0.000 18.934 4.831) 19.541 8.629 ( 0.000 13.873 -0.921) 13.904 8.629 ( 0.000 13.873 0.921) 13.904 9.235 ( 0.000 -3.529 -0.141) 3.532 9.235 ( 0.000 -3.529 0.141) 3.532 10.079 ( 0.000 -4.173 -2.208) 4.721 10.079 ( 0.000 -4.173 2.208) 4.721 10.144 ( 0.000 -4.814 -4.065) 6.301 10.144 ( 0.000 -4.814 4.065) 6.301 ======================= Grid point 292 (95/105) ======================= q-point: ( 0.25 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 1.211 5.635 -3.452) 6.719 1.640 ( 1.211 5.635 3.452) 6.719 1.780 ( -3.555 6.239 -5.754) 9.202 1.780 ( -3.555 6.239 5.754) 9.202 2.109 ( 2.287 2.302 -5.712) 6.570 2.109 ( 2.287 2.302 5.712) 6.570 2.193 ( 0.301 3.491 -8.604) 9.290 2.193 ( 0.301 3.491 8.604) 9.290 2.440 ( -2.456 5.901 -2.745) 6.956 2.440 ( -2.456 5.901 2.745) 6.956 2.551 ( 1.231 2.472 -1.950) 3.381 2.551 ( 1.231 2.472 1.950) 3.381 2.985 ( 0.041 3.574 -0.239) 3.583 2.985 ( 0.041 3.574 0.239) 3.583 3.028 ( -0.112 2.355 -1.696) 2.904 3.028 ( -0.112 2.355 1.696) 2.904 3.310 ( 2.027 -0.167 -3.477) 4.028 3.310 ( 2.027 -0.167 3.477) 4.028 3.499 ( -3.047 3.859 -3.657) 6.128 3.499 ( -3.047 3.859 3.657) 6.128 3.838 ( 3.570 0.779 -2.768) 4.584 3.838 ( 3.570 0.779 2.768) 4.584 3.966 ( -2.008 6.125 -1.923) 6.726 3.966 ( -2.008 6.125 1.923) 6.726 6.460 ( 0.158 1.661 -1.515) 2.254 6.460 ( 0.158 1.661 1.515) 2.254 6.600 ( -0.086 -2.115 -1.327) 2.498 6.600 ( -0.086 -2.115 1.327) 2.498 6.968 ( -1.072 -1.467 -3.525) 3.965 6.968 ( -1.072 -1.467 3.525) 3.965 7.196 ( 2.676 0.747 -0.970) 2.942 7.196 ( 2.676 0.747 0.970) 2.942 7.375 ( -1.539 4.325 -0.136) 4.592 7.375 ( -1.539 4.325 0.136) 4.592 7.590 ( -1.363 8.982 -1.656) 9.234 7.590 ( -1.363 8.982 1.656) 9.234 7.816 ( 2.156 -1.217 -1.645) 2.973 7.816 ( 2.156 -1.217 1.645) 2.973 8.232 ( -0.565 19.502 -3.568) 19.834 8.232 ( -0.565 19.502 3.568) 19.834 8.624 ( -0.483 13.537 -0.793) 13.569 8.624 ( -0.483 13.537 0.793) 13.569 9.236 ( 0.083 -3.681 -0.089) 3.683 9.236 ( 0.083 -3.681 0.089) 3.683 10.087 ( 0.707 -3.705 -2.262) 4.398 10.087 ( 0.707 -3.705 2.262) 4.398 10.138 ( -0.612 -5.100 -3.533) 6.234 10.138 ( -0.612 -5.100 3.533) 6.234 ======================= Grid point 294 (96/105) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.000 3.867 -0.000) 3.867 1.663 ( 0.000 3.867 0.000) 3.867 1.730 ( -0.000 7.989 -0.000) 7.989 1.730 ( -0.000 7.989 0.000) 7.989 2.134 ( 0.000 5.876 -0.000) 5.876 2.134 ( 0.000 5.876 0.000) 5.876 2.199 ( 0.000 -0.994 -0.000) 0.994 2.199 ( 0.000 -0.994 0.000) 0.994 2.412 ( 0.000 7.290 -0.000) 7.290 2.412 ( 0.000 7.290 0.000) 7.290 2.564 ( 0.000 2.254 0.000) 2.254 2.564 ( 0.000 2.254 0.000) 2.254 2.985 ( 0.000 3.528 0.000) 3.528 2.985 ( 0.000 3.528 0.000) 3.528 3.027 ( 0.000 2.790 -0.000) 2.790 3.027 ( 0.000 2.790 0.000) 2.790 3.340 ( 0.000 1.405 -0.000) 1.405 3.340 ( -0.000 1.405 0.000) 1.405 3.459 ( 0.000 -0.151 0.000) 0.151 3.459 ( 0.000 -0.151 0.000) 0.151 3.901 ( 0.000 7.618 -0.000) 7.618 3.901 ( -0.000 7.618 0.000) 7.618 3.921 ( -0.000 1.161 0.000) 1.161 3.921 ( 0.000 1.161 0.000) 1.161 6.462 ( 0.000 1.812 0.000) 1.812 6.462 ( 0.000 1.812 0.000) 1.812 6.599 ( 0.000 -2.144 0.000) 2.144 6.599 ( 0.000 -2.144 0.000) 2.144 6.957 ( 0.000 -1.845 0.000) 1.845 6.957 ( 0.000 -1.845 0.000) 1.845 7.231 ( 0.000 2.164 0.000) 2.164 7.231 ( 0.000 2.164 0.000) 2.164 7.352 ( 0.000 2.833 0.000) 2.833 7.352 ( 0.000 2.833 0.000) 2.833 7.576 ( 0.000 8.279 0.000) 8.279 7.576 ( 0.000 8.279 0.000) 8.279 7.841 ( 0.000 -0.492 0.000) 0.492 7.841 ( 0.000 -0.492 0.000) 0.492 8.225 ( 0.000 20.144 0.000) 20.144 8.225 ( 0.000 20.144 0.000) 20.144 8.618 ( 0.000 13.194 -0.000) 13.194 8.618 ( 0.000 13.194 0.000) 13.194 9.237 ( 0.000 -3.831 0.000) 3.831 9.237 ( 0.000 -3.831 0.000) 3.831 10.097 ( 0.000 -2.724 -0.000) 2.724 10.097 ( 0.000 -2.724 0.000) 2.724 10.129 ( 0.000 -5.898 -0.000) 5.898 10.129 ( 0.000 -5.898 0.000) 5.898 ======================= Grid point 300 (97/105) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 5.630 -3.354) 6.553 1.747 ( 0.000 5.630 3.354) 6.553 1.940 ( 0.000 5.688 -4.692) 7.373 1.940 ( 0.000 5.688 4.692) 7.373 2.095 ( 0.000 1.404 -2.656) 3.004 2.095 ( 0.000 1.404 2.656) 3.004 2.242 ( 0.000 0.928 -3.013) 3.152 2.242 ( 0.000 0.928 3.013) 3.152 2.532 ( 0.000 1.415 -3.769) 4.026 2.532 ( 0.000 1.415 3.769) 4.026 2.585 ( 0.000 2.047 -2.690) 3.381 2.585 ( 0.000 2.047 2.690) 3.381 3.007 ( 0.000 -0.972 -1.385) 1.692 3.007 ( 0.000 -0.972 1.385) 1.692 3.060 ( 0.000 1.138 -1.841) 2.165 3.060 ( 0.000 1.138 1.841) 2.165 3.255 ( 0.000 -2.303 -3.732) 4.385 3.255 ( 0.000 -2.303 3.732) 4.385 3.609 ( 0.000 -4.265 -6.215) 7.538 3.609 ( 0.000 -4.265 6.215) 7.538 3.837 ( 0.000 10.687 -2.793) 11.046 3.837 ( 0.000 10.687 2.793) 11.046 4.190 ( 0.000 11.841 -0.829) 11.870 4.190 ( 0.000 11.841 0.829) 11.870 6.484 ( 0.000 0.977 -1.522) 1.809 6.484 ( 0.000 0.977 1.522) 1.809 6.573 ( 0.000 -0.670 -1.864) 1.981 6.573 ( 0.000 -0.670 1.864) 1.981 6.964 ( 0.000 -0.700 -5.317) 5.363 6.964 ( 0.000 -0.700 5.317) 5.363 7.147 ( 0.000 -1.394 -1.954) 2.400 7.147 ( 0.000 -1.394 1.954) 2.400 7.457 ( 0.000 2.389 -1.975) 3.099 7.457 ( 0.000 2.389 1.975) 3.099 7.732 ( 0.000 -2.595 -1.369) 2.934 7.732 ( 0.000 -2.595 1.369) 2.934 7.841 ( 0.000 11.678 -0.333) 11.683 7.841 ( 0.000 11.678 0.333) 11.683 8.519 ( 0.000 8.793 -5.070) 10.149 8.519 ( 0.000 8.793 5.070) 10.149 8.870 ( 0.000 9.573 -0.703) 9.599 8.870 ( 0.000 9.573 0.703) 9.599 9.201 ( 0.000 0.526 -0.259) 0.587 9.201 ( 0.000 0.526 0.259) 0.587 9.988 ( 0.000 -4.786 -2.024) 5.196 9.988 ( 0.000 -4.786 2.024) 5.196 10.071 ( 0.000 -2.679 -2.916) 3.960 10.071 ( 0.000 -2.679 2.916) 3.960 ======================= Grid point 302 (98/105) ======================= q-point: ( 0.25 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.021 5.132 -2.747) 5.821 1.747 ( 0.021 5.132 2.747) 5.821 1.907 ( -2.365 6.219 -4.214) 7.876 1.907 ( -2.365 6.219 4.214) 7.876 2.136 ( 3.341 1.397 -1.852) 4.068 2.136 ( 3.341 1.397 1.852) 4.068 2.231 ( -1.170 1.022 -3.233) 3.587 2.231 ( -1.170 1.022 3.233) 3.587 2.530 ( -0.278 2.515 -2.884) 3.837 2.530 ( -0.278 2.515 2.884) 3.837 2.580 ( -0.420 0.803 -2.058) 2.249 2.580 ( -0.420 0.803 2.058) 2.249 3.018 ( 0.839 0.024 -0.494) 0.974 3.018 ( 0.839 0.024 0.494) 0.974 3.063 ( 0.291 1.026 -1.746) 2.046 3.063 ( 0.291 1.026 1.746) 2.046 3.281 ( 2.779 -2.517 -3.866) 5.385 3.281 ( 2.779 -2.517 3.866) 5.385 3.513 ( -7.332 -3.181 -5.233) 9.553 3.513 ( -7.332 -3.181 5.233) 9.553 3.929 ( 7.014 9.372 -3.018) 12.088 3.929 ( 7.014 9.372 3.018) 12.088 4.160 ( -3.083 11.553 -1.391) 12.038 4.160 ( -3.083 11.553 1.391) 12.038 6.490 ( 0.533 1.262 -1.272) 1.870 6.490 ( 0.533 1.262 1.272) 1.870 6.570 ( -0.327 -0.912 -1.515) 1.798 6.570 ( -0.327 -0.912 1.515) 1.798 6.946 ( -1.326 -0.621 -3.364) 3.669 6.946 ( -1.326 -0.621 3.364) 3.669 7.180 ( 2.721 -1.965 -1.405) 3.639 7.180 ( 2.721 -1.965 1.405) 3.639 7.436 ( -1.870 2.596 -1.822) 3.682 7.436 ( -1.870 2.596 1.822) 3.682 7.706 ( -1.620 0.291 -0.819) 1.838 7.706 ( -1.620 0.291 0.819) 1.838 7.878 ( 2.600 8.998 -0.722) 9.394 7.878 ( 2.600 8.998 0.722) 9.394 8.520 ( 0.117 8.966 -3.768) 9.727 8.520 ( 0.117 8.966 3.768) 9.727 8.863 ( -0.656 9.951 -0.677) 9.995 8.863 ( -0.656 9.951 0.677) 9.995 9.194 ( -0.561 -0.281 -0.336) 0.712 9.194 ( -0.561 -0.281 0.337) 0.712 10.001 ( 1.235 -4.597 -2.116) 5.209 10.001 ( 1.235 -4.597 2.116) 5.209 10.063 ( -0.782 -2.594 -2.690) 3.818 10.063 ( -0.782 -2.594 2.690) 3.818 ======================= Grid point 304 (99/105) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 4.466 -0.000) 4.466 1.748 ( 0.000 4.466 -0.000) 4.466 1.881 ( -0.000 7.022 0.000) 7.022 1.881 ( 0.000 7.022 0.000) 7.022 2.193 ( -0.000 0.612 -0.000) 0.612 2.193 ( -0.000 0.612 0.000) 0.612 2.198 ( 0.000 1.772 -0.000) 1.772 2.198 ( 0.000 1.772 0.000) 1.772 2.526 ( -0.000 3.693 0.000) 3.693 2.526 ( 0.000 3.693 0.000) 3.693 2.575 ( 0.000 -0.479 -0.000) 0.479 2.575 ( 0.000 -0.479 -0.000) 0.479 3.027 ( -0.000 0.908 -0.000) 0.908 3.027 ( 0.000 0.908 0.000) 0.908 3.067 ( 0.000 1.018 0.000) 1.018 3.067 ( 0.000 1.018 0.000) 1.018 3.342 ( -0.000 -1.371 -0.000) 1.371 3.342 ( 0.000 -1.371 -0.000) 1.371 3.405 ( -0.000 -4.835 -0.000) 4.835 3.405 ( 0.000 -4.835 0.000) 4.835 4.031 ( -0.000 9.265 -0.000) 9.265 4.031 ( 0.000 9.265 -0.000) 9.265 4.099 ( -0.000 11.419 0.000) 11.419 4.099 ( 0.000 11.419 0.000) 11.419 6.497 ( -0.000 1.660 -0.000) 1.660 6.497 ( 0.000 1.660 0.000) 1.660 6.565 ( 0.000 -1.267 0.000) 1.267 6.565 ( 0.000 -1.267 0.000) 1.267 6.931 ( 0.000 -0.582 0.000) 0.582 6.931 ( 0.000 -0.582 0.000) 0.582 7.214 ( 0.000 -2.817 -0.000) 2.817 7.214 ( 0.000 -2.817 0.000) 2.817 7.411 ( 0.000 3.155 0.000) 3.155 7.411 ( 0.000 3.155 0.000) 3.155 7.690 ( 0.000 1.394 0.000) 1.394 7.690 ( 0.000 1.394 0.000) 1.394 7.906 ( -0.000 8.062 0.000) 8.062 7.906 ( 0.000 8.062 0.000) 8.062 8.521 ( -0.000 9.158 -0.000) 9.158 8.521 ( 0.000 9.158 -0.000) 9.158 8.855 ( -0.000 10.299 0.000) 10.299 8.855 ( 0.000 10.299 0.000) 10.299 9.188 ( 0.000 -1.058 0.000) 1.058 9.188 ( 0.000 -1.058 0.000) 1.058 10.020 ( 0.000 -4.775 0.000) 4.775 10.020 ( -0.000 -4.775 0.000) 4.775 10.050 ( 0.000 -2.156 -0.000) 2.156 10.050 ( 0.000 -2.156 0.000) 2.156 ======================= Grid point 310 (100/105) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.000 5.009 -1.480) 5.223 1.852 ( 0.000 5.009 1.480) 5.223 2.031 ( 0.000 3.092 -4.462) 5.429 2.031 ( 0.000 3.092 4.462) 5.429 2.125 ( 0.000 1.322 -2.942) 3.226 2.125 ( 0.000 1.322 2.942) 3.226 2.262 ( 0.000 1.317 -1.541) 2.027 2.262 ( 0.000 1.317 1.541) 2.027 2.554 ( 0.000 0.709 -2.675) 2.767 2.554 ( 0.000 0.709 2.675) 2.767 2.598 ( 0.000 -0.338 -4.185) 4.198 2.598 ( 0.000 -0.338 4.185) 4.198 2.971 ( 0.000 -2.034 -2.605) 3.305 2.971 ( 0.000 -2.034 2.605) 3.305 3.075 ( 0.000 0.496 -1.026) 1.140 3.075 ( 0.000 0.496 1.026) 1.140 3.211 ( 0.000 -1.953 -2.584) 3.239 3.211 ( 0.000 -1.953 2.584) 3.239 3.490 ( 0.000 -6.136 -3.717) 7.174 3.490 ( 0.000 -6.136 3.717) 7.174 4.073 ( 0.000 10.978 -0.469) 10.988 4.073 ( 0.000 10.978 0.469) 10.988 4.409 ( 0.000 9.535 -0.729) 9.563 4.409 ( 0.000 9.535 0.729) 9.563 6.495 ( 0.000 0.188 -0.779) 0.801 6.495 ( 0.000 0.188 0.779) 0.801 6.572 ( 0.000 0.284 -1.218) 1.250 6.572 ( 0.000 0.284 1.218) 1.250 6.960 ( 0.000 0.299 -4.203) 4.214 6.960 ( 0.000 0.299 4.203) 4.214 7.113 ( 0.000 -1.942 -1.115) 2.239 7.113 ( 0.000 -1.942 1.115) 2.239 7.503 ( 0.000 2.416 -2.623) 3.566 7.503 ( 0.000 2.416 2.623) 3.566 7.676 ( 0.000 -2.880 -0.233) 2.889 7.676 ( 0.000 -2.880 0.233) 2.889 8.066 ( 0.000 10.770 -0.072) 10.770 8.066 ( 0.000 10.770 0.072) 10.770 8.588 ( 0.000 -1.180 -3.329) 3.532 8.588 ( 0.000 -1.180 3.329) 3.532 8.998 ( 0.000 3.924 -0.200) 3.929 8.998 ( 0.000 3.924 0.200) 3.929 9.249 ( 0.000 3.334 -0.671) 3.401 9.249 ( 0.000 3.334 0.671) 3.401 9.907 ( 0.000 -3.161 -1.299) 3.418 9.907 ( 0.000 -3.161 1.299) 3.418 10.028 ( 0.000 -1.806 -1.749) 2.514 10.028 ( 0.000 -1.806 1.749) 2.514 ======================= Grid point 312 (101/105) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -0.368 5.168 -1.027) 5.282 1.847 ( -0.368 5.168 1.027) 5.282 2.014 ( -1.143 4.281 -2.711) 5.195 2.014 ( -1.143 4.281 2.711) 5.195 2.158 ( 2.844 0.379 -3.362) 4.420 2.158 ( 2.844 0.379 3.362) 4.420 2.250 ( -1.294 0.907 -1.663) 2.294 2.250 ( -1.294 0.907 1.663) 2.294 2.556 ( 0.257 0.538 -2.988) 3.047 2.556 ( 0.257 0.538 2.988) 3.047 2.586 ( -1.042 0.036 -4.173) 4.301 2.586 ( -1.042 0.036 4.173) 4.301 3.000 ( 2.494 -1.484 -1.747) 3.388 3.000 ( 2.494 -1.484 1.747) 3.388 3.072 ( -0.302 0.129 -1.092) 1.140 3.072 ( -0.302 0.129 1.092) 1.140 3.229 ( 2.098 -2.340 -2.511) 4.022 3.229 ( 2.098 -2.340 2.511) 4.022 3.421 ( -6.196 -5.046 -3.093) 8.568 3.421 ( -6.196 -5.046 3.093) 8.568 4.140 ( 5.991 10.224 -0.916) 11.885 4.140 ( 5.991 10.224 0.916) 11.885 4.376 ( -3.420 9.411 -0.852) 10.049 4.376 ( -3.420 9.411 0.852) 10.049 6.506 ( 1.092 0.370 -0.844) 1.429 6.506 ( 1.092 0.370 0.844) 1.429 6.563 ( -0.848 0.114 -1.147) 1.431 6.563 ( -0.848 0.114 1.147) 1.431 6.948 ( -0.922 0.853 -2.829) 3.095 6.948 ( -0.922 0.853 2.829) 3.095 7.128 ( 1.167 -3.144 -0.825) 3.454 7.128 ( 1.167 -3.144 0.825) 3.454 7.491 ( -1.065 2.930 -2.132) 3.776 7.491 ( -1.065 2.930 2.132) 3.776 7.673 ( -0.225 -2.529 -0.228) 2.550 7.673 ( -0.225 -2.529 0.228) 2.550 8.085 ( 1.603 10.717 -0.297) 10.840 8.085 ( 1.603 10.717 0.297) 10.840 8.588 ( 0.015 -1.440 -2.463) 2.853 8.588 ( 0.015 -1.440 2.463) 2.853 9.007 ( 0.878 4.933 -0.333) 5.021 9.007 ( 0.878 4.933 0.333) 5.021 9.218 ( -2.661 1.998 -0.980) 3.469 9.218 ( -2.661 1.998 0.980) 3.469 9.927 ( 1.771 -2.672 -1.347) 3.477 9.927 ( 1.771 -2.672 1.347) 3.477 10.020 ( -0.795 -1.927 -1.572) 2.611 10.020 ( -0.795 -1.927 1.572) 2.611 ======================= Grid point 314 (102/105) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 5.352 0.000) 5.352 1.843 ( 0.000 5.352 0.000) 5.352 2.002 ( -0.000 5.048 -0.000) 5.048 2.002 ( 0.000 5.048 0.000) 5.048 2.210 ( -0.000 -0.799 -0.000) 0.799 2.210 ( 0.000 -0.799 0.000) 0.799 2.215 ( 0.000 1.107 -0.000) 1.107 2.215 ( -0.000 1.107 0.000) 1.107 2.563 ( 0.000 -0.417 0.000) 0.417 2.563 ( -0.000 -0.417 0.000) 0.417 2.570 ( 0.000 1.214 -0.000) 1.214 2.570 ( -0.000 1.214 -0.000) 1.214 3.033 ( 0.000 -0.035 0.000) 0.035 3.033 ( -0.000 -0.035 0.000) 0.035 3.066 ( 0.000 -0.989 0.000) 0.989 3.066 ( 0.000 -0.989 0.000) 0.989 3.297 ( -0.000 -2.733 0.000) 2.733 3.297 ( 0.000 -2.733 -0.000) 2.733 3.305 ( -0.000 -4.426 -0.000) 4.426 3.305 ( 0.000 -4.426 0.000) 4.426 4.235 ( -0.000 10.133 -0.000) 10.133 4.235 ( 0.000 10.133 -0.000) 10.133 4.310 ( -0.000 8.956 0.000) 8.956 4.310 ( 0.000 8.956 0.000) 8.956 6.524 ( -0.000 1.026 -0.000) 1.026 6.524 ( 0.000 1.026 0.000) 1.026 6.548 ( 0.000 -0.529 0.000) 0.529 6.548 ( 0.000 -0.529 0.000) 0.529 6.938 ( 0.000 1.263 0.000) 1.263 6.938 ( 0.000 1.263 0.000) 1.263 7.141 ( 0.000 -4.282 -0.000) 4.282 7.141 ( 0.000 -4.282 0.000) 4.282 7.478 ( 0.000 3.539 0.000) 3.539 7.478 ( 0.000 3.539 0.000) 3.539 7.671 ( -0.000 -2.248 0.000) 2.248 7.671 ( 0.000 -2.248 0.000) 2.248 8.104 ( -0.000 10.734 0.000) 10.734 8.104 ( 0.000 10.734 0.000) 10.734 8.588 ( -0.000 -1.725 -0.000) 1.725 8.588 ( 0.000 -1.725 0.000) 1.725 9.020 ( -0.000 6.550 -0.000) 6.550 9.020 ( 0.000 6.550 0.000) 6.550 9.184 ( -0.000 0.108 0.000) 0.108 9.184 ( 0.000 0.108 0.000) 0.108 9.951 ( 0.000 -2.071 0.000) 2.071 9.951 ( 0.000 -2.071 0.000) 2.071 10.007 ( 0.000 -2.206 0.000) 2.206 10.007 ( 0.000 -2.206 0.000) 2.206 ======================= Grid point 320 (103/105) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 4.110 -0.345) 4.124 1.945 ( 0.000 4.110 0.345) 4.124 2.041 ( 0.000 -1.742 -0.461) 1.802 2.041 ( 0.000 -1.742 0.461) 1.802 2.151 ( 0.000 1.140 -0.459) 1.229 2.151 ( 0.000 1.140 0.459) 1.229 2.287 ( 0.000 0.838 -0.684) 1.082 2.287 ( 0.000 0.838 0.684) 1.082 2.554 ( 0.000 -0.404 -0.811) 0.906 2.554 ( 0.000 -0.404 0.811) 0.906 2.595 ( 0.000 0.103 -2.202) 2.204 2.595 ( 0.000 0.103 2.202) 2.204 2.943 ( 0.000 -0.702 -1.183) 1.376 2.943 ( 0.000 -0.702 1.183) 1.376 3.082 ( 0.000 0.207 -0.576) 0.612 3.082 ( 0.000 0.207 0.576) 0.612 3.183 ( 0.000 -0.760 -1.086) 1.325 3.183 ( 0.000 -0.760 1.086) 1.325 3.396 ( 0.000 -2.775 -1.306) 3.066 3.396 ( 0.000 -2.775 1.306) 3.066 4.230 ( 0.000 4.306 -0.028) 4.306 4.230 ( 0.000 4.306 0.028) 4.306 4.543 ( 0.000 3.598 -0.284) 3.609 4.543 ( 0.000 3.598 0.284) 3.609 6.496 ( 0.000 0.021 -0.177) 0.178 6.496 ( 0.000 0.021 0.177) 0.178 6.577 ( 0.000 0.164 -0.346) 0.383 6.577 ( 0.000 0.164 0.346) 0.383 6.970 ( 0.000 0.497 -1.801) 1.868 6.970 ( 0.000 0.497 1.801) 1.868 7.080 ( 0.000 -1.104 -0.133) 1.112 7.080 ( 0.000 -1.104 0.133) 1.112 7.552 ( 0.000 2.253 -2.020) 3.026 7.552 ( 0.000 2.253 2.020) 3.026 7.622 ( 0.000 -2.424 -1.147) 2.682 7.622 ( 0.000 -2.424 1.147) 2.682 8.252 ( 0.000 7.112 -0.314) 7.119 8.252 ( 0.000 7.112 0.314) 7.119 8.514 ( 0.000 -4.604 -1.306) 4.786 8.514 ( 0.000 -4.604 1.306) 4.786 9.046 ( 0.000 1.157 -0.139) 1.165 9.046 ( 0.000 1.157 0.139) 1.165 9.299 ( 0.000 1.367 -0.435) 1.435 9.299 ( 0.000 1.367 0.435) 1.435 9.866 ( 0.000 -0.947 -0.375) 1.019 9.866 ( 0.000 -0.947 0.375) 1.019 10.001 ( 0.000 -0.784 -0.608) 0.992 10.001 ( 0.000 -0.784 0.608) 0.992 ======================= Grid point 322 (104/105) ======================= q-point: ( 0.25 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.632 5.181 -0.111) 5.221 1.953 ( 0.632 5.181 0.111) 5.221 2.047 ( 0.476 -1.713 -0.431) 1.829 2.047 ( 0.476 -1.713 0.431) 1.829 2.161 ( 1.122 0.554 -1.000) 1.602 2.161 ( 1.122 0.554 1.000) 1.602 2.260 ( -2.541 0.046 -1.191) 2.806 2.260 ( -2.541 0.046 1.191) 2.806 2.559 ( 0.498 0.043 -1.243) 1.340 2.559 ( 0.498 0.043 1.243) 1.340 2.589 ( -0.548 0.121 -2.035) 2.111 2.589 ( -0.548 0.121 2.035) 2.111 2.975 ( 3.069 -0.719 -0.964) 3.296 2.975 ( 3.069 -0.719 0.964) 3.296 3.073 ( -1.027 0.004 -0.557) 1.168 3.073 ( -1.027 0.004 0.557) 1.168 3.196 ( 1.519 -0.860 -0.967) 1.996 3.196 ( 1.519 -0.860 0.967) 1.996 3.343 ( -4.882 -2.318 -1.041) 5.504 3.343 ( -4.882 -2.318 1.041) 5.504 4.289 ( 5.569 4.168 -0.213) 6.959 4.289 ( 5.569 4.168 0.213) 6.959 4.508 ( -3.669 3.527 -0.305) 5.099 4.508 ( -3.669 3.527 0.305) 5.099 6.510 ( 1.305 0.056 -0.227) 1.326 6.510 ( 1.305 0.056 0.227) 1.326 6.567 ( -1.044 0.136 -0.336) 1.105 6.567 ( -1.044 0.136 0.336) 1.105 6.975 ( 0.434 1.492 -1.504) 2.163 6.975 ( 0.434 1.492 1.504) 2.163 7.068 ( -1.031 -2.390 -0.376) 2.630 7.068 ( -1.031 -2.390 0.376) 2.630 7.550 ( -0.118 2.919 -1.651) 3.356 7.550 ( -0.118 2.919 1.651) 3.356 7.619 ( -0.231 -2.796 -0.980) 2.971 7.619 ( -0.231 -2.796 0.980) 2.971 8.280 ( 2.431 8.143 -0.347) 8.505 8.280 ( 2.431 8.143 0.347) 8.505 8.503 ( -1.049 -5.688 -1.048) 5.878 8.503 ( -1.049 -5.688 1.048) 5.878 9.070 ( 2.451 1.525 -0.340) 2.907 9.070 ( 2.451 1.525 0.340) 2.907 9.249 ( -4.631 0.831 -0.622) 4.746 9.249 ( -4.631 0.831 0.622) 4.746 9.896 ( 2.633 -0.609 -0.513) 2.751 9.896 ( 2.633 -0.609 0.513) 2.751 9.990 ( -1.200 -0.936 -0.598) 1.635 9.990 ( -1.200 -0.936 0.598) 1.635 ======================= Grid point 324 (105/105) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 0.000 6.234 0.000) 6.234 1.960 ( 0.000 6.234 0.000) 6.234 2.053 ( -0.000 -1.384 0.000) 1.384 2.053 ( 0.000 -1.384 0.000) 1.384 2.188 ( -0.000 0.207 -0.000) 0.207 2.188 ( 0.000 0.207 0.000) 0.207 2.216 ( 0.000 -1.232 0.000) 1.232 2.216 ( 0.000 -1.232 0.000) 1.232 2.567 ( -0.000 0.777 0.000) 0.777 2.567 ( 0.000 0.777 0.000) 0.777 2.580 ( -0.000 -0.195 -0.000) 0.195 2.580 ( 0.000 -0.195 -0.000) 0.195 3.032 ( -0.000 0.079 0.000) 0.079 3.032 ( 0.000 0.079 0.000) 0.079 3.042 ( -0.000 -1.004 0.000) 1.004 3.042 ( 0.000 -1.004 0.000) 1.004 3.247 ( -0.000 -1.332 -0.000) 1.332 3.247 ( 0.000 -1.332 0.000) 1.332 3.251 ( -0.000 -1.535 0.000) 1.535 3.251 ( 0.000 -1.535 -0.000) 1.535 4.394 ( -0.000 5.261 0.000) 5.261 4.394 ( 0.000 5.261 -0.000) 5.261 4.425 ( -0.000 2.274 0.000) 2.274 4.425 ( 0.000 2.274 0.000) 2.274 6.538 ( -0.000 0.369 -0.000) 0.369 6.538 ( 0.000 0.369 -0.000) 0.369 6.542 ( -0.000 -0.169 0.000) 0.169 6.542 ( 0.000 -0.169 0.000) 0.169 6.981 ( -0.000 3.068 0.000) 3.068 6.981 ( 0.000 3.068 0.000) 3.068 7.055 ( 0.000 -4.245 -0.000) 4.245 7.055 ( 0.000 -4.245 0.000) 4.245 7.549 ( -0.000 3.575 0.000) 3.575 7.549 ( 0.000 3.575 0.000) 3.575 7.616 ( -0.000 -3.175 0.000) 3.175 7.616 ( 0.000 -3.175 0.000) 3.175 8.311 ( -0.000 9.969 0.000) 9.969 8.311 ( 0.000 9.969 0.000) 9.969 8.488 ( -0.000 -7.561 0.000) 7.561 8.488 ( 0.000 -7.561 0.000) 7.561 9.120 ( -0.000 3.760 -0.000) 3.760 9.120 ( 0.000 3.760 -0.000) 3.760 9.172 ( -0.000 -1.532 0.000) 1.532 9.172 ( 0.000 -1.532 0.000) 1.532 9.937 ( -0.000 0.571 0.000) 0.571 9.937 ( -0.000 0.571 0.000) 0.571 9.965 ( 0.000 -1.968 0.000) 1.968 9.965 ( 0.000 -1.968 0.000) 1.968 =================== 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 3/19968 10.0 669.540 556.934 599.697 0.000 0.000 0.000 3/19968 20.0 94.765 140.044 101.724 0.000 0.000 0.000 3/19968 30.0 35.345 60.220 39.675 0.000 0.000 0.000 3/19968 40.0 20.437 36.512 23.475 0.000 0.000 0.000 3/19968 50.0 14.195 25.871 16.484 0.000 0.000 0.000 3/19968 60.0 10.804 19.869 12.577 0.000 0.000 0.000 3/19968 70.0 8.682 16.038 10.083 0.000 0.000 0.000 3/19968 80.0 7.237 13.408 8.367 0.000 0.000 0.000 3/19968 90.0 6.196 11.508 7.128 0.000 0.000 0.000 3/19968 100.0 5.413 10.080 6.197 0.000 0.000 0.000 3/19968 110.0 4.806 8.973 5.478 0.000 0.000 0.000 3/19968 120.0 4.322 8.091 4.907 0.000 0.000 0.000 3/19968 130.0 3.928 7.372 4.445 0.000 0.000 0.000 3/19968 140.0 3.601 6.775 4.063 0.000 0.000 0.000 3/19968 150.0 3.325 6.271 3.743 0.000 0.000 0.000 3/19968 160.0 3.090 5.840 3.471 0.000 0.000 0.000 3/19968 170.0 2.886 5.466 3.237 0.000 0.000 0.000 3/19968 180.0 2.709 5.139 3.033 0.000 0.000 0.000 3/19968 190.0 2.552 4.850 2.854 0.000 0.000 0.000 3/19968 200.0 2.413 4.594 2.695 0.000 0.000 0.000 3/19968 210.0 2.289 4.363 2.554 0.000 0.000 0.000 3/19968 220.0 2.177 4.156 2.427 0.000 0.000 0.000 3/19968 230.0 2.076 3.967 2.313 0.000 0.000 0.000 3/19968 240.0 1.984 3.796 2.209 0.000 0.000 0.000 3/19968 250.0 1.900 3.639 2.114 0.000 0.000 0.000 3/19968 260.0 1.823 3.495 2.028 0.000 0.000 0.000 3/19968 270.0 1.752 3.362 1.948 0.000 0.000 0.000 3/19968 280.0 1.687 3.239 1.874 0.000 0.000 0.000 3/19968 290.0 1.626 3.125 1.806 0.000 0.000 0.000 3/19968 300.0 1.570 3.018 1.743 0.000 0.000 0.000 3/19968 310.0 1.517 2.919 1.684 0.000 0.000 0.000 3/19968 320.0 1.468 2.826 1.629 0.000 0.000 0.000 3/19968 330.0 1.422 2.739 1.578 0.000 0.000 0.000 3/19968 340.0 1.379 2.658 1.530 0.000 0.000 0.000 3/19968 350.0 1.338 2.581 1.485 0.000 0.000 0.000 3/19968 360.0 1.300 2.508 1.442 0.000 0.000 0.000 3/19968 370.0 1.264 2.440 1.402 0.000 0.000 0.000 3/19968 380.0 1.230 2.375 1.364 0.000 0.000 0.000 3/19968 390.0 1.198 2.313 1.328 0.000 0.000 0.000 3/19968 400.0 1.167 2.255 1.294 0.000 0.000 0.000 3/19968 410.0 1.138 2.200 1.261 0.000 0.000 0.000 3/19968 420.0 1.111 2.147 1.231 0.000 0.000 0.000 3/19968 430.0 1.084 2.097 1.201 0.000 0.000 0.000 3/19968 440.0 1.059 2.049 1.173 0.000 0.000 0.000 3/19968 450.0 1.035 2.003 1.147 0.000 0.000 0.000 3/19968 460.0 1.012 1.959 1.121 0.000 0.000 0.000 3/19968 470.0 0.990 1.917 1.097 0.000 0.000 0.000 3/19968 480.0 0.970 1.877 1.074 0.000 0.000 0.000 3/19968 490.0 0.949 1.839 1.052 0.000 0.000 0.000 3/19968 500.0 0.930 1.802 1.030 0.000 0.000 0.000 3/19968 510.0 0.912 1.766 1.010 0.000 0.000 0.000 3/19968 520.0 0.894 1.732 0.990 0.000 0.000 0.000 3/19968 530.0 0.877 1.699 0.971 0.000 0.000 0.000 3/19968 540.0 0.861 1.668 0.953 0.000 0.000 0.000 3/19968 550.0 0.845 1.637 0.935 0.000 0.000 0.000 3/19968 560.0 0.829 1.608 0.918 0.000 0.000 0.000 3/19968 570.0 0.815 1.580 0.902 0.000 0.000 0.000 3/19968 580.0 0.801 1.553 0.886 0.000 0.000 0.000 3/19968 590.0 0.787 1.526 0.871 0.000 0.000 0.000 3/19968 600.0 0.774 1.501 0.856 0.000 0.000 0.000 3/19968 610.0 0.761 1.476 0.842 0.000 0.000 0.000 3/19968 620.0 0.749 1.452 0.829 0.000 0.000 0.000 3/19968 630.0 0.737 1.429 0.815 0.000 0.000 0.000 3/19968 640.0 0.725 1.407 0.802 0.000 0.000 0.000 3/19968 650.0 0.714 1.385 0.790 0.000 0.000 0.000 3/19968 660.0 0.703 1.364 0.778 0.000 0.000 0.000 3/19968 670.0 0.692 1.344 0.766 0.000 0.000 0.000 3/19968 680.0 0.682 1.324 0.755 0.000 0.000 0.000 3/19968 690.0 0.672 1.305 0.744 0.000 0.000 0.000 3/19968 700.0 0.662 1.286 0.733 0.000 0.000 0.000 3/19968 710.0 0.653 1.268 0.723 0.000 0.000 0.000 3/19968 720.0 0.644 1.250 0.713 0.000 0.000 0.000 3/19968 730.0 0.635 1.233 0.703 0.000 0.000 0.000 3/19968 740.0 0.626 1.217 0.693 0.000 0.000 0.000 3/19968 750.0 0.618 1.200 0.684 0.000 0.000 0.000 3/19968 760.0 0.610 1.185 0.675 0.000 0.000 0.000 3/19968 770.0 0.602 1.169 0.666 0.000 0.000 0.000 3/19968 780.0 0.594 1.154 0.657 0.000 0.000 0.000 3/19968 790.0 0.587 1.140 0.649 0.000 0.000 0.000 3/19968 800.0 0.579 1.125 0.641 0.000 0.000 0.000 3/19968 810.0 0.572 1.111 0.633 0.000 0.000 0.000 3/19968 820.0 0.565 1.098 0.625 0.000 0.000 0.000 3/19968 830.0 0.558 1.085 0.618 0.000 0.000 0.000 3/19968 840.0 0.552 1.072 0.610 0.000 0.000 0.000 3/19968 850.0 0.545 1.059 0.603 0.000 0.000 0.000 3/19968 860.0 0.539 1.047 0.596 0.000 0.000 0.000 3/19968 870.0 0.532 1.035 0.589 0.000 0.000 0.000 3/19968 880.0 0.526 1.023 0.582 0.000 0.000 0.000 3/19968 890.0 0.520 1.012 0.576 0.000 0.000 0.000 3/19968 900.0 0.515 1.000 0.569 0.000 0.000 0.000 3/19968 910.0 0.509 0.989 0.563 0.000 0.000 0.000 3/19968 920.0 0.503 0.979 0.557 0.000 0.000 0.000 3/19968 930.0 0.498 0.968 0.551 0.000 0.000 0.000 3/19968 940.0 0.493 0.958 0.545 0.000 0.000 0.000 3/19968 950.0 0.487 0.948 0.539 0.000 0.000 0.000 3/19968 960.0 0.482 0.938 0.534 0.000 0.000 0.000 3/19968 970.0 0.477 0.928 0.528 0.000 0.000 0.000 3/19968 980.0 0.473 0.919 0.523 0.000 0.000 0.000 3/19968 990.0 0.468 0.909 0.517 0.000 0.000 0.000 3/19968 1000.0 0.463 0.900 0.512 0.000 0.000 0.000 3/19968 Thermal conductivity related properties were written into "kappa-m4138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:42:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|