----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:07:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.413068819760348 0.000000000000000 0.000000000000000 b -2.706534409880174 4.687855110345909 0.000000000000000 c 0.000000000000000 0.000000000000000 8.621396860000001 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 *2 Ba 0.33333333333333 0.66666666666667 0.64131951798037 137.327 3 Ba 0.66666666666667 0.33333333333333 0.35868048201963 137.327 *4 H 0.36604164191919 0.18302082095959 0.65482894007126 1.008 5 H 0.81697917904041 0.18302082095959 0.65482894007126 1.008 6 H 0.81697917904041 0.63395835808081 0.65482894007126 1.008 7 H 0.63395835808081 0.81697917904041 0.34517105992874 1.008 8 H 0.18302082095959 0.81697917904041 0.34517105992874 1.008 9 H 0.18302082095959 0.36604164191919 0.34517105992874 1.008 *10 H 0.47450893334005 0.94901786668009 0.11906148721339 1.008 11 H 0.05098213331991 0.52549106665996 0.11906148721339 1.008 12 H 0.47450893334005 0.52549106665996 0.11906148721339 1.008 13 H 0.52549106665996 0.05098213331991 0.88093851278661 1.008 14 H 0.94901786668009 0.47450893334005 0.88093851278661 1.008 15 H 0.52549106665996 0.47450893334005 0.88093851278661 1.008 *16 Ir 0.33333333333333 0.66666666666667 0.23617889730227 192.217 17 Ir 0.66666666666667 0.33333333333333 0.76382110269773 192.217 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.413068819760348 0.000000000000000 0.000000000000000 b -2.706534409880174 4.687855110345909 0.000000000000000 c 0.000000000000000 0.000000000000000 8.621396860000001 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 *2 Ba 0.33333333333333 0.66666666666667 0.64131951798037 137.327 > 2 3 Ba 0.66666666666667 0.33333333333333 0.35868048201963 137.327 > 3 *4 H 0.36604164191919 0.18302082095959 0.65482894007126 1.008 > 4 5 H 0.81697917904041 0.18302082095959 0.65482894007126 1.008 > 5 6 H 0.81697917904041 0.63395835808081 0.65482894007126 1.008 > 6 7 H 0.63395835808081 0.81697917904041 0.34517105992874 1.008 > 7 8 H 0.18302082095959 0.81697917904041 0.34517105992874 1.008 > 8 9 H 0.18302082095959 0.36604164191919 0.34517105992874 1.008 > 9 *10 H 0.47450893334005 0.94901786668009 0.11906148721339 1.008 > 10 11 H 0.05098213331991 0.52549106665996 0.11906148721339 1.008 > 11 12 H 0.47450893334005 0.52549106665996 0.11906148721339 1.008 > 12 13 H 0.52549106665996 0.05098213331991 0.88093851278661 1.008 > 13 14 H 0.94901786668009 0.47450893334005 0.88093851278661 1.008 > 14 15 H 0.52549106665996 0.47450893334005 0.88093851278661 1.008 > 15 *16 Ir 0.33333333333333 0.66666666666667 0.23617889730227 192.217 > 16 17 Ir 0.66666666666667 0.33333333333333 0.76382110269773 192.217 > 17 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.826137639520695 0.000000000000000 0.000000000000000 b -5.413068819760348 9.375710220691818 0.000000000000000 c 0.000000000000000 0.000000000000000 17.242793720000002 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 1 4 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 6 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 1 7 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 1 8 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 1 *9 Ba 0.16666666666667 0.33333333333333 0.32065975899018 137.327 > 2 10 Ba 0.66666666666667 0.33333333333333 0.32065975899018 137.327 > 2 11 Ba 0.16666666666667 0.83333333333333 0.32065975899018 137.327 > 2 12 Ba 0.66666666666667 0.83333333333333 0.32065975899018 137.327 > 2 13 Ba 0.16666666666667 0.33333333333333 0.82065975899018 137.327 > 2 14 Ba 0.66666666666667 0.33333333333333 0.82065975899018 137.327 > 2 15 Ba 0.16666666666667 0.83333333333333 0.82065975899018 137.327 > 2 16 Ba 0.66666666666667 0.83333333333333 0.82065975899018 137.327 > 2 17 Ba 0.33333333333333 0.16666666666667 0.17934024100982 137.327 > 3 18 Ba 0.83333333333333 0.16666666666667 0.17934024100982 137.327 > 3 19 Ba 0.33333333333333 0.66666666666667 0.17934024100982 137.327 > 3 20 Ba 0.83333333333333 0.66666666666667 0.17934024100982 137.327 > 3 21 Ba 0.33333333333333 0.16666666666667 0.67934024100982 137.327 > 3 22 Ba 0.83333333333333 0.16666666666667 0.67934024100982 137.327 > 3 23 Ba 0.33333333333333 0.66666666666667 0.67934024100982 137.327 > 3 24 Ba 0.83333333333333 0.66666666666667 0.67934024100982 137.327 > 3 *25 H 0.18302082095959 0.09151041047980 0.32741447003563 1.008 > 4 26 H 0.68302082095959 0.09151041047980 0.32741447003563 1.008 > 4 27 H 0.18302082095959 0.59151041047980 0.32741447003563 1.008 > 4 28 H 0.68302082095959 0.59151041047980 0.32741447003563 1.008 > 4 29 H 0.18302082095959 0.09151041047980 0.82741447003563 1.008 > 4 30 H 0.68302082095959 0.09151041047980 0.82741447003563 1.008 > 4 31 H 0.18302082095959 0.59151041047980 0.82741447003563 1.008 > 4 32 H 0.68302082095959 0.59151041047980 0.82741447003563 1.008 > 4 33 H 0.40848958952020 0.09151041047980 0.32741447003563 1.008 > 5 34 H 0.90848958952020 0.09151041047980 0.32741447003563 1.008 > 5 35 H 0.40848958952020 0.59151041047980 0.32741447003563 1.008 > 5 36 H 0.90848958952020 0.59151041047980 0.32741447003563 1.008 > 5 37 H 0.40848958952020 0.09151041047980 0.82741447003563 1.008 > 5 38 H 0.90848958952020 0.09151041047980 0.82741447003563 1.008 > 5 39 H 0.40848958952020 0.59151041047980 0.82741447003563 1.008 > 5 40 H 0.90848958952020 0.59151041047980 0.82741447003563 1.008 > 5 41 H 0.40848958952020 0.31697917904041 0.32741447003563 1.008 > 6 42 H 0.90848958952020 0.31697917904041 0.32741447003563 1.008 > 6 43 H 0.40848958952020 0.81697917904041 0.32741447003563 1.008 > 6 44 H 0.90848958952020 0.81697917904041 0.32741447003563 1.008 > 6 45 H 0.40848958952020 0.31697917904041 0.82741447003563 1.008 > 6 46 H 0.90848958952020 0.31697917904041 0.82741447003563 1.008 > 6 47 H 0.40848958952020 0.81697917904041 0.82741447003563 1.008 > 6 48 H 0.90848958952020 0.81697917904041 0.82741447003563 1.008 > 6 49 H 0.31697917904041 0.40848958952020 0.17258552996437 1.008 > 7 50 H 0.81697917904041 0.40848958952020 0.17258552996437 1.008 > 7 51 H 0.31697917904041 0.90848958952020 0.17258552996437 1.008 > 7 52 H 0.81697917904041 0.90848958952020 0.17258552996437 1.008 > 7 53 H 0.31697917904041 0.40848958952020 0.67258552996437 1.008 > 7 54 H 0.81697917904041 0.40848958952020 0.67258552996437 1.008 > 7 55 H 0.31697917904041 0.90848958952020 0.67258552996437 1.008 > 7 56 H 0.81697917904041 0.90848958952020 0.67258552996437 1.008 > 7 57 H 0.09151041047980 0.40848958952020 0.17258552996437 1.008 > 8 58 H 0.59151041047980 0.40848958952020 0.17258552996437 1.008 > 8 59 H 0.09151041047980 0.90848958952020 0.17258552996437 1.008 > 8 60 H 0.59151041047980 0.90848958952020 0.17258552996437 1.008 > 8 61 H 0.09151041047980 0.40848958952020 0.67258552996437 1.008 > 8 62 H 0.59151041047980 0.40848958952020 0.67258552996437 1.008 > 8 63 H 0.09151041047980 0.90848958952020 0.67258552996437 1.008 > 8 64 H 0.59151041047980 0.90848958952020 0.67258552996437 1.008 > 8 65 H 0.09151041047980 0.18302082095959 0.17258552996437 1.008 > 9 66 H 0.59151041047980 0.18302082095959 0.17258552996437 1.008 > 9 67 H 0.09151041047980 0.68302082095959 0.17258552996437 1.008 > 9 68 H 0.59151041047980 0.68302082095959 0.17258552996437 1.008 > 9 69 H 0.09151041047980 0.18302082095959 0.67258552996437 1.008 > 9 70 H 0.59151041047980 0.18302082095959 0.67258552996437 1.008 > 9 71 H 0.09151041047980 0.68302082095959 0.67258552996437 1.008 > 9 72 H 0.59151041047980 0.68302082095959 0.67258552996437 1.008 > 9 *73 H 0.23725446667002 0.47450893334005 0.05953074360669 1.008 > 10 74 H 0.73725446667002 0.47450893334005 0.05953074360669 1.008 > 10 75 H 0.23725446667002 0.97450893334004 0.05953074360669 1.008 > 10 76 H 0.73725446667002 0.97450893334004 0.05953074360669 1.008 > 10 77 H 0.23725446667002 0.47450893334005 0.55953074360669 1.008 > 10 78 H 0.73725446667002 0.47450893334005 0.55953074360669 1.008 > 10 79 H 0.23725446667002 0.97450893334004 0.55953074360669 1.008 > 10 80 H 0.73725446667002 0.97450893334004 0.55953074360669 1.008 > 10 81 H 0.02549106665996 0.26274553332998 0.05953074360669 1.008 > 11 82 H 0.52549106665996 0.26274553332998 0.05953074360669 1.008 > 11 83 H 0.02549106665996 0.76274553332998 0.05953074360669 1.008 > 11 84 H 0.52549106665996 0.76274553332998 0.05953074360669 1.008 > 11 85 H 0.02549106665996 0.26274553332998 0.55953074360669 1.008 > 11 86 H 0.52549106665996 0.26274553332998 0.55953074360669 1.008 > 11 87 H 0.02549106665996 0.76274553332998 0.55953074360669 1.008 > 11 88 H 0.52549106665996 0.76274553332998 0.55953074360669 1.008 > 11 89 H 0.23725446667002 0.26274553332998 0.05953074360669 1.008 > 12 90 H 0.73725446667002 0.26274553332998 0.05953074360669 1.008 > 12 91 H 0.23725446667002 0.76274553332998 0.05953074360669 1.008 > 12 92 H 0.73725446667002 0.76274553332998 0.05953074360669 1.008 > 12 93 H 0.23725446667002 0.26274553332998 0.55953074360669 1.008 > 12 94 H 0.73725446667002 0.26274553332998 0.55953074360669 1.008 > 12 95 H 0.23725446667002 0.76274553332998 0.55953074360669 1.008 > 12 96 H 0.73725446667002 0.76274553332998 0.55953074360669 1.008 > 12 97 H 0.26274553332998 0.02549106665996 0.44046925639331 1.008 > 13 98 H 0.76274553332998 0.02549106665996 0.44046925639331 1.008 > 13 99 H 0.26274553332998 0.52549106665996 0.44046925639331 1.008 > 13 100 H 0.76274553332998 0.52549106665996 0.44046925639331 1.008 > 13 101 H 0.26274553332998 0.02549106665996 0.94046925639331 1.008 > 13 102 H 0.76274553332998 0.02549106665996 0.94046925639331 1.008 > 13 103 H 0.26274553332998 0.52549106665996 0.94046925639331 1.008 > 13 104 H 0.76274553332998 0.52549106665996 0.94046925639331 1.008 > 13 105 H 0.47450893334005 0.23725446667002 0.44046925639331 1.008 > 14 106 H 0.97450893334004 0.23725446667002 0.44046925639331 1.008 > 14 107 H 0.47450893334005 0.73725446667002 0.44046925639331 1.008 > 14 108 H 0.97450893334004 0.73725446667002 0.44046925639331 1.008 > 14 109 H 0.47450893334005 0.23725446667002 0.94046925639331 1.008 > 14 110 H 0.97450893334004 0.23725446667002 0.94046925639331 1.008 > 14 111 H 0.47450893334005 0.73725446667002 0.94046925639331 1.008 > 14 112 H 0.97450893334004 0.73725446667002 0.94046925639331 1.008 > 14 113 H 0.26274553332998 0.23725446667002 0.44046925639331 1.008 > 15 114 H 0.76274553332998 0.23725446667002 0.44046925639331 1.008 > 15 115 H 0.26274553332998 0.73725446667002 0.44046925639331 1.008 > 15 116 H 0.76274553332998 0.73725446667002 0.44046925639331 1.008 > 15 117 H 0.26274553332998 0.23725446667002 0.94046925639331 1.008 > 15 118 H 0.76274553332998 0.23725446667002 0.94046925639331 1.008 > 15 119 H 0.26274553332998 0.73725446667002 0.94046925639331 1.008 > 15 120 H 0.76274553332998 0.73725446667002 0.94046925639331 1.008 > 15 *121 Ir 0.16666666666667 0.33333333333333 0.11808944865113 192.217 > 16 122 Ir 0.66666666666667 0.33333333333333 0.11808944865113 192.217 > 16 123 Ir 0.16666666666667 0.83333333333333 0.11808944865113 192.217 > 16 124 Ir 0.66666666666667 0.83333333333333 0.11808944865113 192.217 > 16 125 Ir 0.16666666666667 0.33333333333333 0.61808944865113 192.217 > 16 126 Ir 0.66666666666667 0.33333333333333 0.61808944865113 192.217 > 16 127 Ir 0.16666666666667 0.83333333333333 0.61808944865113 192.217 > 16 128 Ir 0.66666666666667 0.83333333333333 0.61808944865113 192.217 > 16 129 Ir 0.33333333333333 0.16666666666667 0.38191055134887 192.217 > 17 130 Ir 0.83333333333333 0.16666666666667 0.38191055134887 192.217 > 17 131 Ir 0.33333333333333 0.66666666666667 0.38191055134887 192.217 > 17 132 Ir 0.83333333333333 0.66666666666667 0.38191055134887 192.217 > 17 133 Ir 0.33333333333333 0.16666666666667 0.88191055134887 192.217 > 17 134 Ir 0.83333333333333 0.16666666666667 0.88191055134887 192.217 > 17 135 Ir 0.33333333333333 0.66666666666667 0.88191055134887 192.217 > 17 136 Ir 0.83333333333333 0.66666666666667 0.88191055134887 192.217 > 17 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5554254 -0.0000000 0.0000000 0.0000000 4.5554254 0.0000000 0.0000000 0.0000000 4.5261797 -------------------------- Born effective charges -------------------------- 1 Ba 2.7963336 -0.0000000 0.0000000 -0.0000000 2.7963336 0.0000000 0.0000000 -0.0000000 2.3206603 2 Ba 2.4030490 -0.0000000 0.0000000 -0.0000000 2.4030490 0.0000000 0.0000000 -0.0000000 2.3673900 3 Ba 2.4030490 -0.0000000 0.0000000 -0.0000000 2.4030490 0.0000000 0.0000000 -0.0000000 2.3673900 4 H -0.5134665 -0.2590080 -0.4679434 -0.2590080 -0.2143898 -0.2701672 -0.4860714 -0.2806335 -0.3285518 5 H -0.5134665 0.2590080 0.4679434 0.2590080 -0.2143898 -0.2701672 0.4860714 -0.2806335 -0.3285518 6 H -0.0648515 0.0000000 -0.0000000 -0.0000000 -0.6630048 0.5403345 0.0000000 0.5612670 -0.3285518 7 H -0.5134665 -0.2590080 -0.4679434 -0.2590080 -0.2143898 -0.2701672 -0.4860714 -0.2806335 -0.3285518 8 H -0.5134665 0.2590080 0.4679434 0.2590080 -0.2143898 -0.2701672 0.4860714 -0.2806335 -0.3285518 9 H -0.0648515 0.0000000 -0.0000000 -0.0000000 -0.6630048 0.5403345 0.0000000 0.5612670 -0.3285518 10 H 0.1474842 0.0000000 -0.0000000 -0.0000000 -0.6694475 0.5161461 0.0000000 0.5182566 -0.1481282 11 H -0.4652146 -0.3537418 -0.4469956 -0.3537418 -0.0567488 -0.2580730 -0.4488234 -0.2591283 -0.1481282 12 H -0.4652146 0.3537418 0.4469956 0.3537418 -0.0567488 -0.2580730 0.4488234 -0.2591283 -0.1481282 13 H 0.1474842 0.0000000 -0.0000000 -0.0000000 -0.6694475 0.5161461 0.0000000 0.5182566 -0.1481282 14 H -0.4652146 -0.3537418 -0.4469956 -0.3537418 -0.0567488 -0.2580730 -0.4488234 -0.2591283 -0.1481282 15 H -0.4652146 0.3537418 0.4469956 0.3537418 -0.0567488 -0.2580730 0.4488234 -0.2591283 -0.1481282 16 Ir -1.9264864 0.0000000 0.0000000 -0.0000000 -1.9264864 0.0000000 0.0000000 -0.0000000 -2.0976802 17 Ir -1.9264864 0.0000000 0.0000000 -0.0000000 -1.9264864 0.0000000 0.0000000 -0.0000000 -2.0976802 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 10914/10914 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 996 Number of blocks in projector: 628 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 446 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (996, 980), data: False |-- (172, 167), data: True |-- (378, 374), data: True |-- (446, 439), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.016 Solver_block: 100 / 240 - Time: 1.206 Solver_block: 200 / 240 - Time: 1.254 Solver_block: 240 / 240 - Time: 0.566 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.058 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 10914/10914 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 996 Number of blocks in projector: 628 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 446 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (996, 980), data: False |-- (172, 167), data: True |-- (378, 374), data: True |-- (446, 439), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:07:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:07:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.413068819760348 0.000000000000000 0.000000000000000 b -2.706534409880174 4.687855110345909 0.000000000000000 c 0.000000000000000 0.000000000000000 8.621396860000001 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 2 Ba 0.33333333333333 0.66666666666667 0.64131951798037 137.327 3 Ba 0.66666666666667 0.33333333333333 0.35868048201963 137.327 4 H 0.36604164191919 0.18302082095959 0.65482894007126 1.008 5 H 0.81697917904041 0.18302082095959 0.65482894007126 1.008 6 H 0.81697917904041 0.63395835808081 0.65482894007126 1.008 7 H 0.63395835808081 0.81697917904041 0.34517105992874 1.008 8 H 0.18302082095959 0.81697917904041 0.34517105992874 1.008 9 H 0.18302082095959 0.36604164191919 0.34517105992874 1.008 10 H 0.47450893334005 0.94901786668009 0.11906148721339 1.008 11 H 0.05098213331991 0.52549106665996 0.11906148721339 1.008 12 H 0.47450893334005 0.52549106665996 0.11906148721339 1.008 13 H 0.52549106665996 0.05098213331991 0.88093851278661 1.008 14 H 0.94901786668009 0.47450893334005 0.88093851278661 1.008 15 H 0.52549106665996 0.47450893334005 0.88093851278661 1.008 16 Ir 0.33333333333333 0.66666666666667 0.23617889730227 192.217 17 Ir 0.66666666666667 0.33333333333333 0.76382110269773 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.826137639520695 0.000000000000000 0.000000000000000 b -5.413068819760348 9.375710220691818 0.000000000000000 c 0.000000000000000 0.000000000000000 17.242793720000002 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 1 4 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 6 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 1 7 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 1 8 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 1 9 Ba 0.16666666666667 0.33333333333333 0.32065975899018 137.327 > 9 10 Ba 0.66666666666667 0.33333333333333 0.32065975899018 137.327 > 9 11 Ba 0.16666666666667 0.83333333333333 0.32065975899018 137.327 > 9 12 Ba 0.66666666666667 0.83333333333333 0.32065975899018 137.327 > 9 13 Ba 0.16666666666667 0.33333333333333 0.82065975899018 137.327 > 9 14 Ba 0.66666666666667 0.33333333333333 0.82065975899018 137.327 > 9 15 Ba 0.16666666666667 0.83333333333333 0.82065975899018 137.327 > 9 16 Ba 0.66666666666667 0.83333333333333 0.82065975899018 137.327 > 9 17 Ba 0.33333333333333 0.16666666666667 0.17934024100982 137.327 > 17 18 Ba 0.83333333333333 0.16666666666667 0.17934024100982 137.327 > 17 19 Ba 0.33333333333333 0.66666666666667 0.17934024100982 137.327 > 17 20 Ba 0.83333333333333 0.66666666666667 0.17934024100982 137.327 > 17 21 Ba 0.33333333333333 0.16666666666667 0.67934024100982 137.327 > 17 22 Ba 0.83333333333333 0.16666666666667 0.67934024100982 137.327 > 17 23 Ba 0.33333333333333 0.66666666666667 0.67934024100982 137.327 > 17 24 Ba 0.83333333333333 0.66666666666667 0.67934024100982 137.327 > 17 25 H 0.18302082095959 0.09151041047980 0.32741447003563 1.008 > 25 26 H 0.68302082095959 0.09151041047980 0.32741447003563 1.008 > 25 27 H 0.18302082095959 0.59151041047980 0.32741447003563 1.008 > 25 28 H 0.68302082095959 0.59151041047980 0.32741447003563 1.008 > 25 29 H 0.18302082095959 0.09151041047980 0.82741447003563 1.008 > 25 30 H 0.68302082095959 0.09151041047980 0.82741447003563 1.008 > 25 31 H 0.18302082095959 0.59151041047980 0.82741447003563 1.008 > 25 32 H 0.68302082095959 0.59151041047980 0.82741447003563 1.008 > 25 33 H 0.40848958952020 0.09151041047980 0.32741447003563 1.008 > 33 34 H 0.90848958952020 0.09151041047980 0.32741447003563 1.008 > 33 35 H 0.40848958952020 0.59151041047980 0.32741447003563 1.008 > 33 36 H 0.90848958952020 0.59151041047980 0.32741447003563 1.008 > 33 37 H 0.40848958952020 0.09151041047980 0.82741447003563 1.008 > 33 38 H 0.90848958952020 0.09151041047980 0.82741447003563 1.008 > 33 39 H 0.40848958952020 0.59151041047980 0.82741447003563 1.008 > 33 40 H 0.90848958952020 0.59151041047980 0.82741447003563 1.008 > 33 41 H 0.40848958952020 0.31697917904041 0.32741447003563 1.008 > 41 42 H 0.90848958952020 0.31697917904041 0.32741447003563 1.008 > 41 43 H 0.40848958952020 0.81697917904041 0.32741447003563 1.008 > 41 44 H 0.90848958952020 0.81697917904041 0.32741447003563 1.008 > 41 45 H 0.40848958952020 0.31697917904041 0.82741447003563 1.008 > 41 46 H 0.90848958952020 0.31697917904041 0.82741447003563 1.008 > 41 47 H 0.40848958952020 0.81697917904041 0.82741447003563 1.008 > 41 48 H 0.90848958952020 0.81697917904041 0.82741447003563 1.008 > 41 49 H 0.31697917904041 0.40848958952020 0.17258552996437 1.008 > 49 50 H 0.81697917904041 0.40848958952020 0.17258552996437 1.008 > 49 51 H 0.31697917904041 0.90848958952020 0.17258552996437 1.008 > 49 52 H 0.81697917904041 0.90848958952020 0.17258552996437 1.008 > 49 53 H 0.31697917904041 0.40848958952020 0.67258552996437 1.008 > 49 54 H 0.81697917904041 0.40848958952020 0.67258552996437 1.008 > 49 55 H 0.31697917904041 0.90848958952020 0.67258552996437 1.008 > 49 56 H 0.81697917904041 0.90848958952020 0.67258552996437 1.008 > 49 57 H 0.09151041047980 0.40848958952020 0.17258552996437 1.008 > 57 58 H 0.59151041047980 0.40848958952020 0.17258552996437 1.008 > 57 59 H 0.09151041047980 0.90848958952020 0.17258552996437 1.008 > 57 60 H 0.59151041047980 0.90848958952020 0.17258552996437 1.008 > 57 61 H 0.09151041047980 0.40848958952020 0.67258552996437 1.008 > 57 62 H 0.59151041047980 0.40848958952020 0.67258552996437 1.008 > 57 63 H 0.09151041047980 0.90848958952020 0.67258552996437 1.008 > 57 64 H 0.59151041047980 0.90848958952020 0.67258552996437 1.008 > 57 65 H 0.09151041047980 0.18302082095959 0.17258552996437 1.008 > 65 66 H 0.59151041047980 0.18302082095959 0.17258552996437 1.008 > 65 67 H 0.09151041047980 0.68302082095959 0.17258552996437 1.008 > 65 68 H 0.59151041047980 0.68302082095959 0.17258552996437 1.008 > 65 69 H 0.09151041047980 0.18302082095959 0.67258552996437 1.008 > 65 70 H 0.59151041047980 0.18302082095959 0.67258552996437 1.008 > 65 71 H 0.09151041047980 0.68302082095959 0.67258552996437 1.008 > 65 72 H 0.59151041047980 0.68302082095959 0.67258552996437 1.008 > 65 73 H 0.23725446667002 0.47450893334005 0.05953074360669 1.008 > 73 74 H 0.73725446667002 0.47450893334005 0.05953074360669 1.008 > 73 75 H 0.23725446667002 0.97450893334004 0.05953074360669 1.008 > 73 76 H 0.73725446667002 0.97450893334004 0.05953074360669 1.008 > 73 77 H 0.23725446667002 0.47450893334005 0.55953074360669 1.008 > 73 78 H 0.73725446667002 0.47450893334005 0.55953074360669 1.008 > 73 79 H 0.23725446667002 0.97450893334004 0.55953074360669 1.008 > 73 80 H 0.73725446667002 0.97450893334004 0.55953074360669 1.008 > 73 81 H 0.02549106665996 0.26274553332998 0.05953074360669 1.008 > 81 82 H 0.52549106665996 0.26274553332998 0.05953074360669 1.008 > 81 83 H 0.02549106665996 0.76274553332998 0.05953074360669 1.008 > 81 84 H 0.52549106665996 0.76274553332998 0.05953074360669 1.008 > 81 85 H 0.02549106665996 0.26274553332998 0.55953074360669 1.008 > 81 86 H 0.52549106665996 0.26274553332998 0.55953074360669 1.008 > 81 87 H 0.02549106665996 0.76274553332998 0.55953074360669 1.008 > 81 88 H 0.52549106665996 0.76274553332998 0.55953074360669 1.008 > 81 89 H 0.23725446667002 0.26274553332998 0.05953074360669 1.008 > 89 90 H 0.73725446667002 0.26274553332998 0.05953074360669 1.008 > 89 91 H 0.23725446667002 0.76274553332998 0.05953074360669 1.008 > 89 92 H 0.73725446667002 0.76274553332998 0.05953074360669 1.008 > 89 93 H 0.23725446667002 0.26274553332998 0.55953074360669 1.008 > 89 94 H 0.73725446667002 0.26274553332998 0.55953074360669 1.008 > 89 95 H 0.23725446667002 0.76274553332998 0.55953074360669 1.008 > 89 96 H 0.73725446667002 0.76274553332998 0.55953074360669 1.008 > 89 97 H 0.26274553332998 0.02549106665996 0.44046925639331 1.008 > 97 98 H 0.76274553332998 0.02549106665996 0.44046925639331 1.008 > 97 99 H 0.26274553332998 0.52549106665996 0.44046925639331 1.008 > 97 100 H 0.76274553332998 0.52549106665996 0.44046925639331 1.008 > 97 101 H 0.26274553332998 0.02549106665996 0.94046925639331 1.008 > 97 102 H 0.76274553332998 0.02549106665996 0.94046925639331 1.008 > 97 103 H 0.26274553332998 0.52549106665996 0.94046925639331 1.008 > 97 104 H 0.76274553332998 0.52549106665996 0.94046925639331 1.008 > 97 105 H 0.47450893334005 0.23725446667002 0.44046925639331 1.008 > 105 106 H 0.97450893334004 0.23725446667002 0.44046925639331 1.008 > 105 107 H 0.47450893334005 0.73725446667002 0.44046925639331 1.008 > 105 108 H 0.97450893334004 0.73725446667002 0.44046925639331 1.008 > 105 109 H 0.47450893334005 0.23725446667002 0.94046925639331 1.008 > 105 110 H 0.97450893334004 0.23725446667002 0.94046925639331 1.008 > 105 111 H 0.47450893334005 0.73725446667002 0.94046925639331 1.008 > 105 112 H 0.97450893334004 0.73725446667002 0.94046925639331 1.008 > 105 113 H 0.26274553332998 0.23725446667002 0.44046925639331 1.008 > 113 114 H 0.76274553332998 0.23725446667002 0.44046925639331 1.008 > 113 115 H 0.26274553332998 0.73725446667002 0.44046925639331 1.008 > 113 116 H 0.76274553332998 0.73725446667002 0.44046925639331 1.008 > 113 117 H 0.26274553332998 0.23725446667002 0.94046925639331 1.008 > 113 118 H 0.76274553332998 0.23725446667002 0.94046925639331 1.008 > 113 119 H 0.26274553332998 0.73725446667002 0.94046925639331 1.008 > 113 120 H 0.76274553332998 0.73725446667002 0.94046925639331 1.008 > 113 121 Ir 0.16666666666667 0.33333333333333 0.11808944865113 192.217 > 121 122 Ir 0.66666666666667 0.33333333333333 0.11808944865113 192.217 > 121 123 Ir 0.16666666666667 0.83333333333333 0.11808944865113 192.217 > 121 124 Ir 0.66666666666667 0.83333333333333 0.11808944865113 192.217 > 121 125 Ir 0.16666666666667 0.33333333333333 0.61808944865113 192.217 > 121 126 Ir 0.66666666666667 0.33333333333333 0.61808944865113 192.217 > 121 127 Ir 0.16666666666667 0.83333333333333 0.61808944865113 192.217 > 121 128 Ir 0.66666666666667 0.83333333333333 0.61808944865113 192.217 > 121 129 Ir 0.33333333333333 0.16666666666667 0.38191055134887 192.217 > 129 130 Ir 0.83333333333333 0.16666666666667 0.38191055134887 192.217 > 129 131 Ir 0.33333333333333 0.66666666666667 0.38191055134887 192.217 > 129 132 Ir 0.83333333333333 0.66666666666667 0.38191055134887 192.217 > 129 133 Ir 0.33333333333333 0.16666666666667 0.88191055134887 192.217 > 129 134 Ir 0.83333333333333 0.16666666666667 0.88191055134887 192.217 > 129 135 Ir 0.33333333333333 0.66666666666667 0.88191055134887 192.217 > 129 136 Ir 0.83333333333333 0.66666666666667 0.88191055134887 192.217 > 129 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5554254 -0.0000000 0.0000000 0.0000000 4.5554254 0.0000000 0.0000000 0.0000000 4.5261797 -------------------------- Born effective charges -------------------------- 1 Ba 2.7963336 -0.0000000 0.0000000 -0.0000000 2.7963336 0.0000000 0.0000000 -0.0000000 2.3206603 2 Ba 2.4030490 -0.0000000 0.0000000 -0.0000000 2.4030490 0.0000000 0.0000000 -0.0000000 2.3673900 3 Ba 2.4030490 -0.0000000 0.0000000 -0.0000000 2.4030490 0.0000000 0.0000000 -0.0000000 2.3673900 4 H -0.5134665 -0.2590080 -0.4679434 -0.2590080 -0.2143898 -0.2701672 -0.4860714 -0.2806335 -0.3285518 5 H -0.5134665 0.2590080 0.4679434 0.2590080 -0.2143898 -0.2701672 0.4860714 -0.2806335 -0.3285518 6 H -0.0648515 0.0000000 -0.0000000 -0.0000000 -0.6630048 0.5403345 0.0000000 0.5612670 -0.3285518 7 H -0.5134665 -0.2590080 -0.4679434 -0.2590080 -0.2143898 -0.2701672 -0.4860714 -0.2806335 -0.3285518 8 H -0.5134665 0.2590080 0.4679434 0.2590080 -0.2143898 -0.2701672 0.4860714 -0.2806335 -0.3285518 9 H -0.0648515 0.0000000 -0.0000000 -0.0000000 -0.6630048 0.5403345 0.0000000 0.5612670 -0.3285518 10 H 0.1474842 0.0000000 -0.0000000 -0.0000000 -0.6694475 0.5161461 0.0000000 0.5182566 -0.1481282 11 H -0.4652146 -0.3537418 -0.4469956 -0.3537418 -0.0567488 -0.2580730 -0.4488234 -0.2591283 -0.1481282 12 H -0.4652146 0.3537418 0.4469956 0.3537418 -0.0567488 -0.2580730 0.4488234 -0.2591283 -0.1481282 13 H 0.1474842 0.0000000 -0.0000000 -0.0000000 -0.6694475 0.5161461 0.0000000 0.5182566 -0.1481282 14 H -0.4652146 -0.3537418 -0.4469956 -0.3537418 -0.0567488 -0.2580730 -0.4488234 -0.2591283 -0.1481282 15 H -0.4652146 0.3537418 0.4469956 0.3537418 -0.0567488 -0.2580730 0.4488234 -0.2591283 -0.1481282 16 Ir -1.9264864 0.0000000 0.0000000 -0.0000000 -1.9264864 0.0000000 0.0000000 -0.0000000 -2.0976802 17 Ir -1.9264864 0.0000000 0.0000000 -0.0000000 -1.9264864 0.0000000 0.0000000 -0.0000000 -2.0976802 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000011 (xzx) -0.00000011 (xzx) -0.00000011 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yz) 0.00000002 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:08:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:08:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.413068819760348 0.000000000000000 0.000000000000000 b -2.706534409880174 4.687855110345909 0.000000000000000 c 0.000000000000000 0.000000000000000 8.621396860000001 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 2 Ba 0.33333333333333 0.66666666666667 0.64131951798037 137.327 3 Ba 0.66666666666667 0.33333333333333 0.35868048201963 137.327 4 H 0.36604164191919 0.18302082095959 0.65482894007126 1.008 5 H 0.81697917904041 0.18302082095959 0.65482894007126 1.008 6 H 0.81697917904041 0.63395835808081 0.65482894007126 1.008 7 H 0.63395835808081 0.81697917904041 0.34517105992874 1.008 8 H 0.18302082095959 0.81697917904041 0.34517105992874 1.008 9 H 0.18302082095959 0.36604164191919 0.34517105992874 1.008 10 H 0.47450893334005 0.94901786668009 0.11906148721339 1.008 11 H 0.05098213331991 0.52549106665996 0.11906148721339 1.008 12 H 0.47450893334005 0.52549106665996 0.11906148721339 1.008 13 H 0.52549106665996 0.05098213331991 0.88093851278661 1.008 14 H 0.94901786668009 0.47450893334005 0.88093851278661 1.008 15 H 0.52549106665996 0.47450893334005 0.88093851278661 1.008 16 Ir 0.33333333333333 0.66666666666667 0.23617889730227 192.217 17 Ir 0.66666666666667 0.33333333333333 0.76382110269773 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.826137639520695 0.000000000000000 0.000000000000000 b -5.413068819760348 9.375710220691818 0.000000000000000 c 0.000000000000000 0.000000000000000 17.242793720000002 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 1 4 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 6 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 1 7 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 1 8 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 1 9 Ba 0.16666666666667 0.33333333333333 0.32065975899018 137.327 > 9 10 Ba 0.66666666666667 0.33333333333333 0.32065975899018 137.327 > 9 11 Ba 0.16666666666667 0.83333333333333 0.32065975899018 137.327 > 9 12 Ba 0.66666666666667 0.83333333333333 0.32065975899018 137.327 > 9 13 Ba 0.16666666666667 0.33333333333333 0.82065975899018 137.327 > 9 14 Ba 0.66666666666667 0.33333333333333 0.82065975899018 137.327 > 9 15 Ba 0.16666666666667 0.83333333333333 0.82065975899018 137.327 > 9 16 Ba 0.66666666666667 0.83333333333333 0.82065975899018 137.327 > 9 17 Ba 0.33333333333333 0.16666666666667 0.17934024100982 137.327 > 17 18 Ba 0.83333333333333 0.16666666666667 0.17934024100982 137.327 > 17 19 Ba 0.33333333333333 0.66666666666667 0.17934024100982 137.327 > 17 20 Ba 0.83333333333333 0.66666666666667 0.17934024100982 137.327 > 17 21 Ba 0.33333333333333 0.16666666666667 0.67934024100982 137.327 > 17 22 Ba 0.83333333333333 0.16666666666667 0.67934024100982 137.327 > 17 23 Ba 0.33333333333333 0.66666666666667 0.67934024100982 137.327 > 17 24 Ba 0.83333333333333 0.66666666666667 0.67934024100982 137.327 > 17 25 H 0.18302082095959 0.09151041047980 0.32741447003563 1.008 > 25 26 H 0.68302082095959 0.09151041047980 0.32741447003563 1.008 > 25 27 H 0.18302082095959 0.59151041047980 0.32741447003563 1.008 > 25 28 H 0.68302082095959 0.59151041047980 0.32741447003563 1.008 > 25 29 H 0.18302082095959 0.09151041047980 0.82741447003563 1.008 > 25 30 H 0.68302082095959 0.09151041047980 0.82741447003563 1.008 > 25 31 H 0.18302082095959 0.59151041047980 0.82741447003563 1.008 > 25 32 H 0.68302082095959 0.59151041047980 0.82741447003563 1.008 > 25 33 H 0.40848958952020 0.09151041047980 0.32741447003563 1.008 > 33 34 H 0.90848958952020 0.09151041047980 0.32741447003563 1.008 > 33 35 H 0.40848958952020 0.59151041047980 0.32741447003563 1.008 > 33 36 H 0.90848958952020 0.59151041047980 0.32741447003563 1.008 > 33 37 H 0.40848958952020 0.09151041047980 0.82741447003563 1.008 > 33 38 H 0.90848958952020 0.09151041047980 0.82741447003563 1.008 > 33 39 H 0.40848958952020 0.59151041047980 0.82741447003563 1.008 > 33 40 H 0.90848958952020 0.59151041047980 0.82741447003563 1.008 > 33 41 H 0.40848958952020 0.31697917904041 0.32741447003563 1.008 > 41 42 H 0.90848958952020 0.31697917904041 0.32741447003563 1.008 > 41 43 H 0.40848958952020 0.81697917904041 0.32741447003563 1.008 > 41 44 H 0.90848958952020 0.81697917904041 0.32741447003563 1.008 > 41 45 H 0.40848958952020 0.31697917904041 0.82741447003563 1.008 > 41 46 H 0.90848958952020 0.31697917904041 0.82741447003563 1.008 > 41 47 H 0.40848958952020 0.81697917904041 0.82741447003563 1.008 > 41 48 H 0.90848958952020 0.81697917904041 0.82741447003563 1.008 > 41 49 H 0.31697917904041 0.40848958952020 0.17258552996437 1.008 > 49 50 H 0.81697917904041 0.40848958952020 0.17258552996437 1.008 > 49 51 H 0.31697917904041 0.90848958952020 0.17258552996437 1.008 > 49 52 H 0.81697917904041 0.90848958952020 0.17258552996437 1.008 > 49 53 H 0.31697917904041 0.40848958952020 0.67258552996437 1.008 > 49 54 H 0.81697917904041 0.40848958952020 0.67258552996437 1.008 > 49 55 H 0.31697917904041 0.90848958952020 0.67258552996437 1.008 > 49 56 H 0.81697917904041 0.90848958952020 0.67258552996437 1.008 > 49 57 H 0.09151041047980 0.40848958952020 0.17258552996437 1.008 > 57 58 H 0.59151041047980 0.40848958952020 0.17258552996437 1.008 > 57 59 H 0.09151041047980 0.90848958952020 0.17258552996437 1.008 > 57 60 H 0.59151041047980 0.90848958952020 0.17258552996437 1.008 > 57 61 H 0.09151041047980 0.40848958952020 0.67258552996437 1.008 > 57 62 H 0.59151041047980 0.40848958952020 0.67258552996437 1.008 > 57 63 H 0.09151041047980 0.90848958952020 0.67258552996437 1.008 > 57 64 H 0.59151041047980 0.90848958952020 0.67258552996437 1.008 > 57 65 H 0.09151041047980 0.18302082095959 0.17258552996437 1.008 > 65 66 H 0.59151041047980 0.18302082095959 0.17258552996437 1.008 > 65 67 H 0.09151041047980 0.68302082095959 0.17258552996437 1.008 > 65 68 H 0.59151041047980 0.68302082095959 0.17258552996437 1.008 > 65 69 H 0.09151041047980 0.18302082095959 0.67258552996437 1.008 > 65 70 H 0.59151041047980 0.18302082095959 0.67258552996437 1.008 > 65 71 H 0.09151041047980 0.68302082095959 0.67258552996437 1.008 > 65 72 H 0.59151041047980 0.68302082095959 0.67258552996437 1.008 > 65 73 H 0.23725446667002 0.47450893334005 0.05953074360669 1.008 > 73 74 H 0.73725446667002 0.47450893334005 0.05953074360669 1.008 > 73 75 H 0.23725446667002 0.97450893334004 0.05953074360669 1.008 > 73 76 H 0.73725446667002 0.97450893334004 0.05953074360669 1.008 > 73 77 H 0.23725446667002 0.47450893334005 0.55953074360669 1.008 > 73 78 H 0.73725446667002 0.47450893334005 0.55953074360669 1.008 > 73 79 H 0.23725446667002 0.97450893334004 0.55953074360669 1.008 > 73 80 H 0.73725446667002 0.97450893334004 0.55953074360669 1.008 > 73 81 H 0.02549106665996 0.26274553332998 0.05953074360669 1.008 > 81 82 H 0.52549106665996 0.26274553332998 0.05953074360669 1.008 > 81 83 H 0.02549106665996 0.76274553332998 0.05953074360669 1.008 > 81 84 H 0.52549106665996 0.76274553332998 0.05953074360669 1.008 > 81 85 H 0.02549106665996 0.26274553332998 0.55953074360669 1.008 > 81 86 H 0.52549106665996 0.26274553332998 0.55953074360669 1.008 > 81 87 H 0.02549106665996 0.76274553332998 0.55953074360669 1.008 > 81 88 H 0.52549106665996 0.76274553332998 0.55953074360669 1.008 > 81 89 H 0.23725446667002 0.26274553332998 0.05953074360669 1.008 > 89 90 H 0.73725446667002 0.26274553332998 0.05953074360669 1.008 > 89 91 H 0.23725446667002 0.76274553332998 0.05953074360669 1.008 > 89 92 H 0.73725446667002 0.76274553332998 0.05953074360669 1.008 > 89 93 H 0.23725446667002 0.26274553332998 0.55953074360669 1.008 > 89 94 H 0.73725446667002 0.26274553332998 0.55953074360669 1.008 > 89 95 H 0.23725446667002 0.76274553332998 0.55953074360669 1.008 > 89 96 H 0.73725446667002 0.76274553332998 0.55953074360669 1.008 > 89 97 H 0.26274553332998 0.02549106665996 0.44046925639331 1.008 > 97 98 H 0.76274553332998 0.02549106665996 0.44046925639331 1.008 > 97 99 H 0.26274553332998 0.52549106665996 0.44046925639331 1.008 > 97 100 H 0.76274553332998 0.52549106665996 0.44046925639331 1.008 > 97 101 H 0.26274553332998 0.02549106665996 0.94046925639331 1.008 > 97 102 H 0.76274553332998 0.02549106665996 0.94046925639331 1.008 > 97 103 H 0.26274553332998 0.52549106665996 0.94046925639331 1.008 > 97 104 H 0.76274553332998 0.52549106665996 0.94046925639331 1.008 > 97 105 H 0.47450893334005 0.23725446667002 0.44046925639331 1.008 > 105 106 H 0.97450893334004 0.23725446667002 0.44046925639331 1.008 > 105 107 H 0.47450893334005 0.73725446667002 0.44046925639331 1.008 > 105 108 H 0.97450893334004 0.73725446667002 0.44046925639331 1.008 > 105 109 H 0.47450893334005 0.23725446667002 0.94046925639331 1.008 > 105 110 H 0.97450893334004 0.23725446667002 0.94046925639331 1.008 > 105 111 H 0.47450893334005 0.73725446667002 0.94046925639331 1.008 > 105 112 H 0.97450893334004 0.73725446667002 0.94046925639331 1.008 > 105 113 H 0.26274553332998 0.23725446667002 0.44046925639331 1.008 > 113 114 H 0.76274553332998 0.23725446667002 0.44046925639331 1.008 > 113 115 H 0.26274553332998 0.73725446667002 0.44046925639331 1.008 > 113 116 H 0.76274553332998 0.73725446667002 0.44046925639331 1.008 > 113 117 H 0.26274553332998 0.23725446667002 0.94046925639331 1.008 > 113 118 H 0.76274553332998 0.23725446667002 0.94046925639331 1.008 > 113 119 H 0.26274553332998 0.73725446667002 0.94046925639331 1.008 > 113 120 H 0.76274553332998 0.73725446667002 0.94046925639331 1.008 > 113 121 Ir 0.16666666666667 0.33333333333333 0.11808944865113 192.217 > 121 122 Ir 0.66666666666667 0.33333333333333 0.11808944865113 192.217 > 121 123 Ir 0.16666666666667 0.83333333333333 0.11808944865113 192.217 > 121 124 Ir 0.66666666666667 0.83333333333333 0.11808944865113 192.217 > 121 125 Ir 0.16666666666667 0.33333333333333 0.61808944865113 192.217 > 121 126 Ir 0.66666666666667 0.33333333333333 0.61808944865113 192.217 > 121 127 Ir 0.16666666666667 0.83333333333333 0.61808944865113 192.217 > 121 128 Ir 0.66666666666667 0.83333333333333 0.61808944865113 192.217 > 121 129 Ir 0.33333333333333 0.16666666666667 0.38191055134887 192.217 > 129 130 Ir 0.83333333333333 0.16666666666667 0.38191055134887 192.217 > 129 131 Ir 0.33333333333333 0.66666666666667 0.38191055134887 192.217 > 129 132 Ir 0.83333333333333 0.66666666666667 0.38191055134887 192.217 > 129 133 Ir 0.33333333333333 0.16666666666667 0.88191055134887 192.217 > 129 134 Ir 0.83333333333333 0.16666666666667 0.88191055134887 192.217 > 129 135 Ir 0.33333333333333 0.66666666666667 0.88191055134887 192.217 > 129 136 Ir 0.83333333333333 0.66666666666667 0.88191055134887 192.217 > 129 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5554254 -0.0000000 0.0000000 0.0000000 4.5554254 0.0000000 0.0000000 0.0000000 4.5261797 -------------------------- Born effective charges -------------------------- 1 Ba 2.7963336 -0.0000000 0.0000000 -0.0000000 2.7963336 0.0000000 0.0000000 -0.0000000 2.3206603 2 Ba 2.4030490 -0.0000000 0.0000000 -0.0000000 2.4030490 0.0000000 0.0000000 -0.0000000 2.3673900 3 Ba 2.4030490 -0.0000000 0.0000000 -0.0000000 2.4030490 0.0000000 0.0000000 -0.0000000 2.3673900 4 H -0.5134665 -0.2590080 -0.4679434 -0.2590080 -0.2143898 -0.2701672 -0.4860714 -0.2806335 -0.3285518 5 H -0.5134665 0.2590080 0.4679434 0.2590080 -0.2143898 -0.2701672 0.4860714 -0.2806335 -0.3285518 6 H -0.0648515 0.0000000 -0.0000000 -0.0000000 -0.6630048 0.5403345 0.0000000 0.5612670 -0.3285518 7 H -0.5134665 -0.2590080 -0.4679434 -0.2590080 -0.2143898 -0.2701672 -0.4860714 -0.2806335 -0.3285518 8 H -0.5134665 0.2590080 0.4679434 0.2590080 -0.2143898 -0.2701672 0.4860714 -0.2806335 -0.3285518 9 H -0.0648515 0.0000000 -0.0000000 -0.0000000 -0.6630048 0.5403345 0.0000000 0.5612670 -0.3285518 10 H 0.1474842 0.0000000 -0.0000000 -0.0000000 -0.6694475 0.5161461 0.0000000 0.5182566 -0.1481282 11 H -0.4652146 -0.3537418 -0.4469956 -0.3537418 -0.0567488 -0.2580730 -0.4488234 -0.2591283 -0.1481282 12 H -0.4652146 0.3537418 0.4469956 0.3537418 -0.0567488 -0.2580730 0.4488234 -0.2591283 -0.1481282 13 H 0.1474842 0.0000000 -0.0000000 -0.0000000 -0.6694475 0.5161461 0.0000000 0.5182566 -0.1481282 14 H -0.4652146 -0.3537418 -0.4469956 -0.3537418 -0.0567488 -0.2580730 -0.4488234 -0.2591283 -0.1481282 15 H -0.4652146 0.3537418 0.4469956 0.3537418 -0.0567488 -0.2580730 0.4488234 -0.2591283 -0.1481282 16 Ir -1.9264864 0.0000000 0.0000000 -0.0000000 -1.9264864 0.0000000 0.0000000 -0.0000000 -2.0976802 17 Ir -1.9264864 0.0000000 0.0000000 -0.0000000 -1.9264864 0.0000000 0.0000000 -0.0000000 -2.0976802 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (xzx) -0.00000011 (xzx) -0.00000011 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 311, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 11.957 ( 0.000 0.000 0.000) 0.000 11.957 ( 0.000 0.000 0.000) 0.000 15.862 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 20.861 ( 0.000 0.000 0.000) 0.000 21.136 ( 0.000 0.000 0.000) 0.000 22.813 ( 0.000 0.000 0.000) 0.000 22.813 ( 0.000 0.000 0.000) 0.000 22.893 ( 0.000 0.000 0.000) 0.000 22.893 ( 0.000 0.000 0.000) 0.000 23.389 ( 0.000 0.000 0.000) 0.000 23.389 ( 0.000 0.000 0.000) 0.000 23.468 ( 0.000 0.000 0.000) 0.000 23.468 ( 0.000 0.000 0.000) 0.000 24.571 ( 0.000 0.000 0.000) 0.000 24.870 ( 0.000 0.000 0.000) 0.000 26.401 ( 0.000 0.000 0.000) 0.000 26.419 ( 0.000 0.000 0.000) 0.000 27.459 ( 0.000 0.000 0.000) 0.000 27.459 ( 0.000 0.000 0.000) 0.000 27.474 ( 0.000 0.000 0.000) 0.000 27.474 ( 0.000 0.000 0.000) 0.000 49.909 ( 0.000 0.000 0.000) 0.000 49.909 ( 0.000 0.000 0.000) 0.000 50.440 ( 0.000 0.000 0.000) 0.000 51.029 ( 0.000 0.000 0.000) 0.000 51.029 ( 0.000 0.000 0.000) 0.000 52.344 ( 0.000 0.000 0.000) 0.000 60.539 ( 0.000 0.000 0.000) 0.000 60.539 ( 0.000 0.000 0.000) 0.000 60.885 ( 0.000 0.000 0.000) 0.000 60.975 ( 0.000 0.000 0.000) 0.000 61.013 ( 0.000 0.000 0.000) 0.000 61.013 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 15.154 8.749 -7.156) 18.905 0.370 ( 16.056 9.270 -7.373) 19.952 0.691 ( 29.798 17.204 7.898) 35.303 1.523 ( 1.519 0.877 3.726) 4.118 1.612 ( 8.942 5.163 -3.284) 10.835 1.814 ( 0.225 0.130 -1.878) 1.896 2.153 ( -1.216 -0.702 4.439) 4.656 2.184 ( -1.347 -0.778 -5.670) 5.879 2.873 ( 0.508 0.294 -0.013) 0.587 3.241 ( -3.920 -2.263 -2.453) 5.149 3.274 ( -2.604 -1.504 2.851) 4.144 3.647 ( -1.019 -0.588 -0.296) 1.213 3.740 ( 0.046 0.027 0.370) 0.374 3.769 ( 2.303 1.329 -0.930) 2.817 4.809 ( -3.286 -1.897 1.119) 3.956 11.727 ( -0.404 -0.233 -0.111) 0.480 11.744 ( 1.048 0.605 0.067) 1.211 11.957 ( -0.078 -0.045 0.096) 0.131 11.963 ( 0.479 0.276 -0.072) 0.557 15.885 ( 1.962 1.133 -0.032) 2.266 15.920 ( 0.355 0.205 0.032) 0.411 20.856 ( -0.430 -0.248 0.004) 0.497 21.121 ( -1.312 -0.758 -0.004) 1.515 22.821 ( 0.696 0.402 -0.505) 0.949 22.898 ( 0.440 0.254 0.479) 0.698 22.902 ( 0.831 0.480 -0.768) 1.229 22.918 ( 1.397 0.807 0.888) 1.841 23.394 ( 0.439 0.254 0.431) 0.666 23.397 ( 0.799 0.461 -0.422) 1.015 23.471 ( 0.306 0.177 -0.392) 0.528 23.526 ( 1.061 0.613 0.283) 1.257 24.580 ( 0.738 0.426 -0.031) 0.852 24.866 ( -0.372 -0.215 -0.006) 0.430 26.409 ( 0.671 0.387 0.007) 0.775 26.426 ( 0.589 0.340 -0.006) 0.681 27.468 ( 0.767 0.443 0.513) 1.024 27.478 ( 1.642 0.948 -0.521) 1.966 27.486 ( 0.958 0.553 -0.518) 1.221 27.497 ( 1.774 1.024 0.499) 2.108 49.883 ( -2.252 -1.300 3.294) 4.197 50.342 ( -7.251 -4.186 5.761) 10.163 51.028 ( -0.152 -0.088 -3.095) 3.100 51.086 ( 3.738 2.158 -31.105) 31.403 51.728 ( 4.228 2.441 21.403) 21.953 52.210 ( -11.394 -6.578 0.710) 13.176 60.542 ( 0.245 0.142 -0.148) 0.320 60.579 ( 0.010 0.006 1.181) 1.181 60.893 ( 0.696 0.402 -0.002) 0.803 60.989 ( -0.979 -0.565 0.870) 1.427 61.010 ( -0.251 -0.145 0.049) 0.294 61.015 ( 2.065 1.192 0.557) 2.448 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 14.328 8.272 -6.899) 17.925 0.709 ( 14.050 8.112 -6.774) 17.581 1.303 ( 23.816 13.750 8.800) 28.874 1.569 ( 2.477 1.430 6.070) 6.710 1.822 ( 0.437 0.253 -3.016) 3.058 1.864 ( 12.545 7.243 -6.423) 15.846 2.109 ( -3.267 -1.886 1.729) 4.149 2.159 ( 0.268 0.155 -2.151) 2.173 2.882 ( 0.194 0.112 -0.128) 0.259 3.121 ( -6.394 -3.692 -2.775) 7.888 3.224 ( -1.214 -0.701 3.664) 3.922 3.615 ( -1.725 -0.996 -0.487) 2.051 3.741 ( 0.064 0.037 0.603) 0.608 3.823 ( 2.220 1.281 -2.864) 3.844 4.702 ( -6.230 -3.597 2.427) 7.592 11.715 ( -0.679 -0.392 -0.175) 0.804 11.777 ( 1.852 1.070 -0.021) 2.139 11.954 ( -0.175 -0.101 0.146) 0.250 11.977 ( 0.681 0.393 0.019) 0.787 15.925 ( 0.685 0.396 -0.220) 0.821 15.951 ( 3.145 1.816 0.224) 3.639 20.843 ( -0.661 -0.381 0.021) 0.763 21.080 ( -2.278 -1.315 -0.006) 2.630 22.843 ( 1.169 0.675 -0.827) 1.583 22.911 ( 0.708 0.409 0.805) 1.147 22.927 ( 1.310 0.756 0.134) 1.518 22.955 ( 1.731 1.000 0.028) 1.999 23.408 ( 0.780 0.450 0.718) 1.152 23.426 ( 1.773 1.023 -0.700) 2.163 23.481 ( 0.514 0.297 -0.672) 0.896 23.560 ( 1.897 1.095 0.491) 2.245 24.603 ( 1.366 0.788 -0.006) 1.577 24.854 ( -0.631 -0.364 -0.047) 0.730 26.429 ( 1.061 0.612 0.041) 1.225 26.444 ( 0.935 0.540 -0.035) 1.081 27.493 ( 1.472 0.850 0.753) 1.860 27.515 ( 1.595 0.921 -0.767) 1.995 27.530 ( 2.867 1.655 -0.717) 3.387 27.552 ( 2.945 1.700 0.690) 3.470 49.815 ( -3.629 -2.095 5.207) 6.684 50.179 ( -6.336 -3.658 5.034) 8.880 51.022 ( -0.397 -0.229 -4.879) 4.900 51.150 ( 1.472 0.850 -38.673) 38.710 51.805 ( -5.649 -3.262 6.000) 8.863 51.915 ( -6.133 -3.541 22.663) 23.743 60.550 ( 0.452 0.261 -0.207) 0.562 60.584 ( 0.443 0.256 2.141) 2.201 60.912 ( 0.592 0.342 0.647) 0.941 60.946 ( -1.982 -1.144 1.134) 2.554 61.002 ( -0.486 -0.280 0.045) 0.563 61.077 ( 2.733 1.578 0.084) 3.156 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 13.129 7.580 -6.960) 16.681 0.991 ( 10.922 6.306 -5.618) 13.806 1.628 ( 2.610 1.507 6.322) 7.004 1.690 ( 9.551 5.514 9.565) 14.598 1.833 ( 0.557 0.322 -3.049) 3.116 2.000 ( -5.233 -3.021 -4.206) 7.362 2.151 ( 11.832 6.831 -8.741) 16.219 2.233 ( 6.235 3.600 6.632) 9.789 2.879 ( -0.367 -0.212 -0.305) 0.522 2.984 ( -4.848 -2.799 -0.103) 5.598 3.235 ( 2.197 1.269 0.857) 2.678 3.573 ( -1.925 -1.111 -0.522) 2.283 3.743 ( 0.074 0.042 0.644) 0.649 3.861 ( 1.179 0.681 -4.999) 5.181 4.535 ( -8.482 -4.897 3.958) 10.564 11.698 ( -0.740 -0.427 -0.178) 0.873 11.823 ( 2.218 1.281 -0.268) 2.576 11.949 ( -0.247 -0.143 0.142) 0.319 11.991 ( 0.493 0.285 0.274) 0.632 15.936 ( 0.451 0.260 -0.096) 0.530 16.031 ( 3.618 2.089 0.106) 4.179 20.828 ( -0.555 -0.320 0.031) 0.641 21.023 ( -2.664 -1.538 0.002) 3.076 22.871 ( 1.261 0.728 -0.893) 1.708 22.928 ( 0.720 0.415 0.903) 1.227 22.956 ( 1.218 0.703 0.791) 1.614 22.989 ( 1.171 0.676 -0.655) 1.502 23.428 ( 1.021 0.589 0.810) 1.430 23.475 ( 2.489 1.437 -0.775) 2.977 23.492 ( 0.456 0.263 -0.789) 0.949 23.607 ( 2.208 1.275 0.567) 2.612 24.639 ( 1.717 0.992 0.093) 1.985 24.839 ( -0.768 -0.443 -0.133) 0.897 26.454 ( 1.066 0.615 0.089) 1.234 26.466 ( 0.929 0.536 -0.076) 1.075 27.531 ( 1.813 1.047 0.861) 2.264 27.553 ( 1.760 1.016 -0.885) 2.217 27.600 ( 3.226 1.863 -0.700) 3.790 27.622 ( 3.192 1.843 0.685) 3.749 49.730 ( -3.750 -2.165 5.268) 6.819 50.083 ( -2.006 -1.158 4.986) 5.498 51.010 ( -0.606 -0.350 -4.920) 4.970 51.113 ( -6.976 -4.028 -32.997) 33.966 51.492 ( -11.281 -6.513 -0.901) 13.057 51.980 ( 3.706 2.139 24.047) 24.425 60.562 ( 0.568 0.328 -0.166) 0.677 60.599 ( 0.907 0.524 2.772) 2.963 60.870 ( -2.994 -1.728 2.128) 4.060 60.955 ( 1.618 0.934 -0.777) 2.024 60.989 ( -0.638 -0.368 -0.002) 0.737 61.121 ( 0.986 0.569 -0.203) 1.156 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 6.948 4.012 -3.788) 8.873 1.260 ( 11.577 6.684 -7.682) 15.418 1.679 ( 1.898 1.096 4.596) 5.092 1.767 ( -1.166 -0.673 11.172) 11.253 1.845 ( 0.518 0.299 -2.113) 2.196 1.883 ( -4.296 -2.480 -4.875) 6.955 2.338 ( 1.426 0.823 -2.783) 3.233 2.383 ( 7.737 4.467 1.127) 9.005 2.864 ( -1.469 -0.848 -0.739) 1.850 2.975 ( 5.259 3.037 4.459) 7.534 3.306 ( 3.391 1.958 -2.692) 4.752 3.533 ( -1.519 -0.877 -0.393) 1.797 3.744 ( 0.067 0.039 0.487) 0.493 3.885 ( 1.357 0.783 -6.438) 6.626 4.330 ( -9.637 -5.564 5.479) 12.404 11.683 ( -0.567 -0.327 -0.129) 0.667 11.872 ( 1.994 1.152 -0.495) 2.356 11.943 ( -0.223 -0.129 0.099) 0.276 11.997 ( 0.046 0.027 0.504) 0.507 15.945 ( 0.307 0.177 -0.043) 0.357 16.104 ( 2.730 1.576 0.053) 3.153 20.820 ( -0.162 -0.094 0.018) 0.188 20.966 ( -2.317 -1.338 0.017) 2.675 22.896 ( 0.952 0.550 -0.712) 1.310 22.942 ( 0.506 0.292 0.744) 0.946 22.979 ( 0.814 0.470 0.939) 1.328 23.007 ( 0.481 0.278 -0.847) 1.013 23.452 ( 1.114 0.643 0.789) 1.509 23.499 ( 0.071 0.041 -0.795) 0.799 23.530 ( 2.208 1.275 -0.622) 2.625 23.653 ( 1.771 1.022 0.461) 2.096 24.677 ( 1.608 0.928 0.201) 1.867 24.821 ( -0.792 -0.458 -0.216) 0.940 26.475 ( 0.764 0.441 0.106) 0.888 26.483 ( 0.636 0.367 -0.092) 0.741 27.570 ( 1.532 0.884 0.817) 1.948 27.589 ( 1.360 0.785 -0.840) 1.781 27.666 ( 2.527 1.459 -0.536) 2.967 27.687 ( 2.440 1.409 0.533) 2.868 49.656 ( -2.740 -1.582 3.789) 4.936 50.097 ( 3.313 1.913 6.133) 7.228 50.820 ( -16.089 -9.289 -16.702) 24.982 50.996 ( -0.569 -0.329 -3.529) 3.590 51.394 ( -0.027 -0.016 -7.240) 7.240 52.033 ( 1.067 0.616 14.419) 14.471 60.574 ( 0.508 0.293 -0.085) 0.593 60.623 ( 1.106 0.639 2.828) 3.103 60.806 ( -2.594 -1.497 0.880) 3.121 60.975 ( -0.584 -0.337 -0.039) 0.675 60.995 ( 1.891 1.092 -0.762) 2.312 61.121 ( -0.823 -0.475 -0.202) 0.972 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 2.398 1.385 -1.349) 3.080 1.492 ( 8.572 4.949 -8.224) 12.869 1.682 ( -5.313 -3.067 9.126) 10.996 1.708 ( 0.656 0.379 1.639) 1.806 1.824 ( -1.290 -0.745 -1.016) 1.803 1.854 ( 0.236 0.136 -0.712) 0.763 2.311 ( -1.700 -0.981 -1.070) 2.235 2.506 ( 2.954 1.706 0.014) 3.411 2.831 ( -1.035 -0.597 -0.405) 1.262 3.134 ( 5.992 3.460 4.548) 8.280 3.348 ( 0.023 0.013 -3.772) 3.772 3.509 ( -0.580 -0.335 -0.145) 0.685 3.745 ( 0.028 0.016 0.181) 0.184 3.952 ( 5.194 2.999 -6.734) 9.018 4.117 ( -8.913 -5.146 6.472) 12.158 11.674 ( -0.212 -0.122 -0.047) 0.249 11.906 ( 0.923 0.533 -0.331) 1.117 11.940 ( -0.090 -0.052 0.035) 0.110 11.994 ( -0.169 -0.098 0.336) 0.389 15.950 ( 0.108 0.062 -0.011) 0.125 16.147 ( 1.009 0.582 0.015) 1.165 20.820 ( 0.089 0.052 0.002) 0.103 20.927 ( -1.019 -0.588 0.013) 1.177 22.911 ( 0.354 0.204 -0.283) 0.497 22.950 ( 0.176 0.102 0.301) 0.363 22.992 ( 0.294 0.170 0.474) 0.583 23.012 ( 0.093 0.054 -0.440) 0.453 23.476 ( 0.872 0.504 0.693) 1.222 23.494 ( -0.416 -0.240 -0.700) 0.848 23.566 ( 0.875 0.505 -0.241) 1.039 23.681 ( 0.676 0.390 0.179) 0.801 24.705 ( 0.763 0.441 0.140) 0.892 24.806 ( -0.442 -0.255 -0.141) 0.529 26.487 ( 0.279 0.161 0.055) 0.327 26.493 ( 0.217 0.125 -0.049) 0.255 27.595 ( 0.610 0.352 0.392) 0.806 27.611 ( 0.504 0.291 -0.402) 0.707 27.707 ( 0.956 0.552 -0.210) 1.124 27.726 ( 0.911 0.526 0.211) 1.073 49.613 ( -0.996 -0.575 1.366) 1.786 50.231 ( 8.634 4.985 7.886) 12.711 50.481 ( -13.462 -7.772 -10.575) 18.801 50.987 ( -0.234 -0.135 -1.271) 1.299 51.410 ( 0.706 0.408 -3.378) 3.475 52.040 ( -0.078 -0.045 4.867) 4.868 60.582 ( 0.211 0.122 -0.022) 0.244 60.644 ( 0.653 0.377 1.478) 1.660 60.761 ( -1.169 -0.675 -0.091) 1.353 60.965 ( -0.244 -0.141 -0.023) 0.282 61.037 ( 1.651 0.953 -0.509) 1.974 61.093 ( -1.448 -0.836 0.097) 1.675 ======================= Grid point 12 (7/84) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 7.353 12.736 0.000) 14.706 0.744 ( 10.392 17.999 0.000) 20.784 1.131 ( 14.499 25.113 0.000) 28.997 1.616 ( 3.355 5.810 0.000) 6.709 1.689 ( 2.481 4.298 0.000) 4.963 1.866 ( 3.190 5.525 0.000) 6.379 2.133 ( -0.627 -1.086 0.000) 1.254 2.148 ( -1.634 -2.830 0.000) 3.268 2.881 ( 0.198 0.342 0.000) 0.395 3.160 ( -3.387 -5.867 0.000) 6.774 3.231 ( -1.266 -2.193 0.000) 2.532 3.630 ( -0.628 -1.088 0.000) 1.257 3.745 ( 0.300 0.520 0.000) 0.600 3.805 ( 1.159 2.007 0.000) 2.317 4.735 ( -3.290 -5.698 0.000) 6.580 11.721 ( -0.227 -0.394 0.000) 0.455 11.763 ( 0.813 1.408 0.000) 1.626 11.957 ( 0.052 0.090 0.000) 0.104 11.971 ( 0.273 0.473 0.000) 0.546 15.926 ( 1.712 2.964 0.000) 3.423 15.928 ( 0.338 0.585 0.000) 0.676 20.847 ( -0.363 -0.629 0.000) 0.726 21.093 ( -1.197 -2.073 0.000) 2.393 22.837 ( 0.694 1.202 0.000) 1.387 22.899 ( 0.288 0.499 0.000) 0.577 22.932 ( 0.712 1.233 0.000) 1.424 22.939 ( 1.073 1.859 0.000) 2.147 23.403 ( 0.402 0.696 0.000) 0.803 23.416 ( 0.869 1.506 0.000) 1.739 23.478 ( 0.286 0.495 0.000) 0.572 23.548 ( 0.953 1.651 0.000) 1.906 24.596 ( 0.704 1.219 0.000) 1.407 24.858 ( -0.333 -0.576 0.000) 0.665 26.423 ( 0.582 1.008 0.000) 1.164 26.439 ( 0.514 0.891 0.000) 1.029 27.485 ( 0.756 1.310 0.000) 1.513 27.504 ( 0.914 1.583 0.000) 1.828 27.516 ( 1.451 2.513 0.000) 2.902 27.534 ( 1.542 2.671 0.000) 3.084 49.852 ( -0.986 -1.708 0.000) 1.973 50.248 ( -3.299 -5.715 0.000) 6.599 50.831 ( -4.860 -8.418 0.000) 9.720 51.307 ( 5.001 8.663 0.000) 10.003 51.787 ( 1.876 3.250 0.000) 3.752 51.980 ( -8.960 -15.519 0.000) 17.920 60.541 ( -0.114 -0.197 0.000) 0.227 60.585 ( 0.345 0.598 0.000) 0.690 60.906 ( 0.502 0.870 0.000) 1.004 60.966 ( -0.993 -1.721 0.000) 1.987 60.997 ( -0.207 -0.359 0.000) 0.415 61.064 ( 1.623 2.812 0.000) 3.247 ======================= Grid point 13 (8/84) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 12.701 8.289 -3.132) 15.486 1.051 ( 5.751 17.723 -4.661) 19.207 1.553 ( 11.672 10.051 5.267) 16.279 1.684 ( -1.374 8.298 7.518) 11.281 1.811 ( 6.155 2.661 -5.301) 8.548 2.027 ( 7.532 7.588 -5.751) 12.140 2.064 ( -3.976 -2.674 -1.256) 4.953 2.154 ( 4.549 -0.086 3.550) 5.770 2.881 ( -0.238 -0.408 -0.136) 0.491 3.031 ( -4.796 -5.198 -0.765) 7.113 3.212 ( 0.806 -0.250 1.172) 1.444 3.605 ( -1.662 0.004 -0.352) 1.699 3.756 ( -0.284 1.490 0.833) 1.731 3.839 ( 1.514 0.174 -2.763) 3.155 4.593 ( -5.813 -7.552 1.864) 9.711 11.712 ( -0.722 0.082 -0.105) 0.735 11.797 ( 1.780 0.984 -0.080) 2.036 11.958 ( -0.376 0.589 0.062) 0.702 11.981 ( 0.665 -0.032 0.106) 0.674 15.940 ( 0.143 1.075 -0.083) 1.088 15.995 ( 2.994 2.612 0.087) 3.974 20.833 ( -0.478 -0.552 0.016) 0.731 21.044 ( -1.973 -2.307 -0.001) 3.036 22.864 ( 0.863 1.448 -0.563) 1.777 22.914 ( 0.943 0.300 0.557) 1.135 22.955 ( 0.514 1.516 0.415) 1.654 22.976 ( 1.261 1.153 -0.328) 1.740 23.420 ( 0.730 0.854 0.435) 1.205 23.456 ( 1.734 1.970 -0.422) 2.658 23.489 ( 0.412 0.608 -0.427) 0.850 23.587 ( 1.653 1.627 0.315) 2.341 24.626 ( 1.241 1.449 0.028) 1.908 24.844 ( -0.554 -0.648 -0.053) 0.854 26.446 ( 0.842 1.053 0.039) 1.349 26.459 ( 0.740 0.936 -0.033) 1.194 27.517 ( 1.323 1.572 0.463) 2.106 27.539 ( 1.407 1.614 -0.470) 2.192 27.575 ( 2.335 2.790 -0.446) 3.665 27.595 ( 2.465 2.663 0.432) 3.654 49.817 ( -3.725 2.476 3.287) 5.551 50.130 ( -5.271 -1.871 4.213) 7.002 50.732 ( 6.486 -16.253 -10.311) 20.312 51.382 ( -6.904 9.341 -18.261) 21.642 51.593 ( -11.986 -15.003 1.141) 19.237 51.918 ( 5.047 1.992 17.373) 18.200 60.536 ( 0.456 -1.472 0.400) 1.592 60.603 ( 0.621 1.502 0.878) 1.848 60.902 ( -1.645 -1.083 1.256) 2.336 60.951 ( 0.168 1.506 -0.401) 1.568 60.989 ( -0.068 -0.859 0.044) 0.863 61.111 ( 1.157 1.411 -0.055) 1.825 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 11.690 5.835 -3.899) 13.634 1.284 ( 3.254 14.765 -5.723) 16.166 1.675 ( 0.505 1.990 4.868) 5.283 1.760 ( 2.335 1.607 6.139) 6.762 1.902 ( -1.992 7.156 0.364) 7.437 1.953 ( -5.457 -0.236 -4.416) 7.024 2.259 ( 9.975 3.538 -11.549) 15.665 2.282 ( 7.961 1.884 10.779) 13.532 2.869 ( -0.300 -0.892 -0.294) 0.986 2.939 ( -0.385 -1.526 1.564) 2.219 3.252 ( 3.466 0.215 -0.887) 3.584 3.577 ( -2.486 1.448 -0.569) 2.933 3.763 ( -0.886 1.915 1.222) 2.438 3.861 ( 1.577 -0.677 -5.225) 5.500 4.400 ( -7.309 -8.858 3.775) 12.089 11.700 ( -1.032 0.585 -0.114) 1.191 11.840 ( 2.373 0.396 -0.282) 2.422 11.955 ( -0.734 0.577 -0.005) 0.934 11.991 ( 0.599 -0.175 0.383) 0.732 15.952 ( -0.109 1.331 -0.052) 1.337 16.069 ( 3.061 1.757 0.060) 3.530 20.822 ( -0.274 -0.248 0.019) 0.370 20.987 ( -2.121 -2.183 0.009) 3.043 22.891 ( 0.705 1.336 -0.735) 1.680 22.932 ( 0.851 0.216 0.790) 1.181 22.977 ( 0.485 1.211 0.762) 1.511 23.001 ( 0.678 0.555 -0.712) 1.129 23.443 ( 0.916 1.020 0.621) 1.505 23.499 ( 0.345 0.617 -0.639) 0.953 23.509 ( 1.868 1.846 -0.546) 2.682 23.631 ( 1.859 1.090 0.426) 2.196 24.663 ( 1.430 1.468 0.126) 2.053 24.828 ( -0.669 -0.692 -0.144) 0.973 26.469 ( 0.718 0.954 0.079) 1.197 26.479 ( 0.603 0.845 -0.068) 1.040 27.557 ( 1.437 1.593 0.677) 2.250 27.578 ( 1.299 1.520 -0.706) 2.121 27.641 ( 2.424 2.191 -0.510) 3.307 27.661 ( 2.457 1.964 0.515) 3.187 49.769 ( -7.019 6.112 4.319) 10.260 50.072 ( 0.220 -0.076 4.968) 4.973 50.692 ( 6.808 -18.088 -11.858) 22.674 51.170 ( -14.655 -4.604 -9.956) 18.305 51.420 ( -3.200 -0.249 -4.527) 5.549 52.008 ( 3.099 1.425 14.223) 14.627 60.529 ( 1.249 -2.754 0.792) 3.126 60.635 ( 0.829 2.431 1.152) 2.815 60.852 ( -3.176 -0.238 1.314) 3.445 60.969 ( 0.158 -0.513 -0.544) 0.764 60.990 ( 0.735 1.343 -0.165) 1.540 61.125 ( -0.117 -0.204 -0.191) 0.303 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 6.677 3.289 -3.123) 8.072 1.456 ( 3.672 9.552 -5.616) 11.673 1.673 ( -1.167 -1.723 3.372) 3.962 1.785 ( -1.034 2.453 7.457) 7.918 1.855 ( -4.082 1.293 -2.897) 5.170 1.943 ( -4.392 9.161 -0.533) 10.173 2.310 ( -0.131 -3.072 -0.784) 3.173 2.461 ( 6.421 3.999 -0.216) 7.567 2.833 ( -1.395 -2.486 -0.769) 2.953 3.032 ( 8.445 2.279 4.945) 10.048 3.304 ( 2.998 -2.438 -3.515) 5.224 3.552 ( -2.702 2.555 -0.554) 3.760 3.767 ( -0.828 2.147 0.660) 2.394 3.894 ( 3.325 0.205 -6.063) 6.917 4.187 ( -7.421 -8.854 5.380) 12.744 11.690 ( -1.014 1.000 -0.069) 1.425 11.881 ( 2.221 -0.021 -0.360) 2.250 11.944 ( -0.692 -0.214 0.015) 0.725 11.997 ( 0.086 0.190 0.403) 0.454 15.961 ( -0.462 1.446 -0.021) 1.518 16.125 ( 2.087 0.530 0.027) 2.154 20.820 ( 0.041 0.140 0.005) 0.146 20.936 ( -1.427 -1.678 0.017) 2.203 22.911 ( 0.289 0.966 -0.518) 1.133 22.945 ( 0.469 0.114 0.570) 0.747 22.993 ( 0.191 0.846 0.715) 1.124 23.011 ( 0.200 0.183 -0.691) 0.743 23.469 ( 0.831 1.082 0.665) 1.518 23.503 ( -0.426 0.396 -0.691) 0.903 23.554 ( 1.395 1.126 -0.375) 1.832 23.666 ( 1.391 0.236 0.297) 1.442 24.698 ( 1.045 1.210 0.180) 1.609 24.810 ( -0.574 -0.679 -0.184) 0.908 26.487 ( 0.304 0.753 0.075) 0.816 26.494 ( 0.215 0.656 -0.067) 0.694 27.591 ( 0.813 1.325 0.632) 1.678 27.608 ( 0.632 1.135 -0.661) 1.458 27.692 ( 1.591 1.072 -0.342) 1.948 27.710 ( 1.627 0.799 0.357) 1.848 49.713 ( -6.832 7.105 2.803) 10.248 50.138 ( 6.073 2.143 5.635) 8.557 50.547 ( -5.070 -14.280 -9.206) 17.730 50.995 ( -2.347 -1.868 -5.018) 5.846 51.372 ( -0.075 -4.156 -3.066) 5.165 52.048 ( 0.315 1.497 7.139) 7.302 60.525 ( 1.902 -3.568 0.647) 4.094 60.676 ( 0.559 3.474 1.051) 3.672 60.797 ( -3.259 0.247 0.446) 3.299 60.960 ( 0.102 -1.137 -0.161) 1.153 61.025 ( 1.273 1.760 -0.520) 2.233 61.107 ( -1.209 -0.939 -0.025) 1.532 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -0.166 0.288 0.000) 0.332 1.585 ( 1.584 -2.744 -0.000) 3.169 1.606 ( -2.342 4.057 0.000) 4.685 1.787 ( -2.831 4.903 0.000) 5.661 1.829 ( -1.281 2.219 -0.000) 2.562 1.951 ( -5.421 9.390 0.000) 10.843 2.281 ( 1.126 -1.951 0.000) 2.253 2.542 ( -1.091 1.890 0.000) 2.183 2.802 ( 1.333 -2.309 -0.000) 2.666 3.146 ( 1.418 -2.457 -0.000) 2.837 3.302 ( 2.392 -4.142 0.000) 4.783 3.540 ( -1.918 3.322 0.000) 3.835 3.772 ( -1.350 2.338 0.000) 2.700 3.992 ( 1.375 -2.381 0.000) 2.749 4.005 ( 1.504 -2.605 -0.000) 3.008 11.686 ( -0.743 1.286 0.000) 1.485 11.905 ( 0.387 -0.670 -0.000) 0.774 11.933 ( 0.367 -0.636 0.000) 0.734 11.998 ( -0.266 0.460 0.000) 0.531 15.964 ( -0.794 1.375 -0.000) 1.587 16.146 ( 0.398 -0.690 0.000) 0.796 20.823 ( -0.108 0.187 0.000) 0.216 20.914 ( 0.377 -0.652 -0.000) 0.753 22.919 ( -0.314 0.545 0.000) 0.629 22.950 ( 0.041 -0.071 -0.000) 0.082 22.999 ( -0.295 0.510 -0.000) 0.589 23.013 ( -0.020 0.035 0.000) 0.040 23.487 ( -0.281 0.486 0.000) 0.561 23.496 ( -0.314 0.544 -0.000) 0.628 23.572 ( -0.062 0.108 -0.000) 0.124 23.679 ( 0.344 -0.597 0.000) 0.689 24.714 ( -0.277 0.480 0.000) 0.554 24.800 ( 0.180 -0.312 -0.000) 0.360 26.493 ( -0.263 0.455 -0.000) 0.525 26.499 ( -0.239 0.414 -0.000) 0.478 27.605 ( -0.412 0.713 -0.000) 0.823 27.619 ( -0.327 0.566 -0.000) 0.653 27.711 ( 0.051 -0.088 0.000) 0.101 27.728 ( 0.190 -0.329 -0.000) 0.380 49.688 ( -4.663 8.077 0.000) 9.326 50.285 ( 2.695 -4.668 -0.000) 5.390 50.339 ( 0.534 -0.924 0.000) 1.067 50.980 ( 0.429 -0.742 0.000) 0.857 51.348 ( 3.827 -6.629 0.000) 7.654 52.057 ( -0.969 1.678 -0.000) 1.938 60.524 ( 2.193 -3.799 0.000) 4.387 60.707 ( -2.159 3.739 0.000) 4.318 60.761 ( -0.368 0.638 0.000) 0.736 60.955 ( 0.536 -0.929 0.000) 1.073 61.055 ( -0.381 0.660 0.000) 0.762 61.080 ( 0.082 -0.141 -0.000) 0.163 ======================= Grid point 25 (12/84) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 6.661 11.538 0.000) 13.323 1.344 ( 6.884 11.924 0.000) 13.768 1.678 ( 1.736 3.007 0.000) 3.472 1.749 ( 0.597 1.033 0.000) 1.193 2.002 ( 6.793 11.766 0.000) 13.587 2.010 ( -1.359 -2.354 0.000) 2.718 2.163 ( 3.912 6.776 0.000) 7.824 2.183 ( 2.176 3.769 0.000) 4.352 2.866 ( -0.529 -0.916 0.000) 1.057 2.940 ( -2.028 -3.512 0.000) 4.055 3.220 ( 0.507 0.878 0.000) 1.014 3.611 ( 0.270 0.468 0.000) 0.540 3.792 ( 1.105 1.914 0.000) 2.211 3.832 ( -0.345 -0.597 0.000) 0.690 4.416 ( -5.998 -10.388 0.000) 11.996 11.716 ( 0.148 0.257 0.000) 0.297 11.817 ( 0.652 1.130 0.000) 1.305 11.974 ( -0.294 -0.510 0.000) 0.589 11.975 ( 0.502 0.870 0.000) 1.004 15.963 ( 0.725 1.255 0.000) 1.449 16.048 ( 1.562 2.706 0.000) 3.124 20.824 ( -0.213 -0.369 0.000) 0.426 20.994 ( -1.591 -2.755 0.000) 3.181 22.894 ( 0.859 1.487 0.000) 1.717 22.924 ( 0.385 0.667 0.000) 0.770 22.981 ( 0.655 1.135 0.000) 1.310 22.997 ( 0.516 0.893 0.000) 1.031 23.441 ( 0.722 1.250 0.000) 1.444 23.497 ( 1.020 1.767 0.000) 2.041 23.505 ( 0.783 1.356 0.000) 1.566 23.619 ( 0.924 1.601 0.000) 1.848 24.658 ( 1.060 1.836 0.000) 2.120 24.830 ( -0.492 -0.853 0.000) 0.985 26.468 ( 0.679 1.176 0.000) 1.358 26.478 ( 0.599 1.037 0.000) 1.197 27.553 ( 1.161 2.010 0.000) 2.321 27.575 ( 1.123 1.946 0.000) 2.247 27.631 ( 1.628 2.819 0.000) 3.255 27.648 ( 1.536 2.660 0.000) 3.072 49.896 ( 2.822 4.888 0.000) 5.644 50.092 ( -1.311 -2.271 0.000) 2.623 50.478 ( -5.269 -9.125 0.000) 10.537 51.274 ( -8.925 -15.459 0.000) 17.850 51.461 ( -1.149 -1.991 0.000) 2.298 51.980 ( 2.350 4.071 0.000) 4.701 60.503 ( -0.967 -1.675 0.000) 1.934 60.638 ( 1.235 2.139 0.000) 2.469 60.881 ( -0.674 -1.167 0.000) 1.348 60.968 ( -0.673 -1.166 0.000) 1.347 60.988 ( 1.113 1.928 0.000) 2.226 61.125 ( 0.010 0.017 0.000) 0.020 ======================= Grid point 26 (13/84) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 6.630 6.953 -1.566) 9.734 1.502 ( 1.539 6.193 -1.967) 6.678 1.683 ( -1.178 -0.911 0.708) 1.649 1.789 ( 2.161 2.872 2.247) 4.239 1.978 ( -4.205 5.312 0.027) 6.775 2.137 ( -4.142 13.143 -1.783) 13.896 2.252 ( 2.926 -2.169 2.390) 4.357 2.349 ( 11.301 3.722 -1.065) 11.945 2.837 ( -1.820 -2.636 -0.439) 3.234 2.936 ( 3.970 1.269 1.898) 4.580 3.234 ( 1.556 -2.189 -1.235) 2.956 3.618 ( -1.223 2.515 -0.515) 2.843 3.803 ( -1.247 1.552 1.922) 2.768 3.847 ( 2.333 -0.016 -4.002) 4.632 4.203 ( -6.461 -11.039 2.251) 12.987 11.719 ( -0.664 1.303 -0.027) 1.463 11.844 ( 1.795 0.216 -0.139) 1.814 11.955 ( -0.985 -0.914 -0.030) 1.344 11.995 ( 0.604 0.735 0.191) 0.971 15.985 ( -0.041 2.004 -0.015) 2.004 16.095 ( 1.846 0.842 0.018) 2.029 20.821 ( 0.053 0.143 0.003) 0.152 20.942 ( -1.532 -2.375 0.007) 2.827 22.918 ( 0.354 1.301 -0.474) 1.429 22.938 ( 0.583 0.280 0.517) 0.828 22.999 ( 0.289 0.997 0.480) 1.143 23.009 ( 0.287 0.331 -0.485) 0.654 23.467 ( 0.840 1.426 0.297) 1.682 23.513 ( 0.019 0.730 -0.335) 0.803 23.544 ( 1.273 1.640 -0.191) 2.085 23.646 ( 1.052 0.474 0.178) 1.167 24.694 ( 1.098 1.690 0.080) 2.017 24.812 ( -0.596 -0.927 -0.083) 1.105 26.489 ( 0.481 1.026 0.035) 1.134 26.497 ( 0.387 0.885 -0.031) 0.967 27.592 ( 1.075 1.944 0.356) 2.250 27.610 ( 0.849 1.707 -0.391) 1.946 27.679 ( 1.381 1.575 -0.203) 2.104 27.692 ( 1.355 1.194 0.231) 1.821 49.947 ( -7.981 11.145 3.542) 14.158 50.080 ( 2.597 1.316 2.059) 3.566 50.379 ( 5.381 -13.630 -5.384) 15.612 51.023 ( -5.927 -8.080 -4.194) 10.863 51.358 ( -4.557 -7.539 -0.280) 8.814 52.053 ( 1.730 3.019 3.404) 4.868 60.476 ( 0.184 -2.442 0.377) 2.478 60.686 ( 1.529 2.876 0.283) 3.269 60.852 ( -2.271 0.053 0.539) 2.335 60.944 ( -0.247 -1.860 -0.265) 1.895 61.025 ( 1.005 1.893 -0.184) 2.151 61.114 ( -0.682 -0.841 -0.035) 1.084 ======================= Grid point 27 (14/84) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 2.832 1.821 -1.222) 3.582 1.547 ( 0.895 0.595 0.092) 1.079 1.650 ( -0.839 -1.433 -0.621) 1.773 1.864 ( 0.459 6.273 1.423) 6.449 1.956 ( -6.461 8.227 0.177) 10.462 2.175 ( -6.050 13.068 -1.470) 14.475 2.239 ( 0.181 -3.370 1.074) 3.541 2.549 ( 5.917 5.070 0.378) 7.801 2.762 ( -1.882 -4.940 -0.775) 5.342 3.052 ( 6.709 -0.157 3.035) 7.366 3.216 ( 1.259 -6.139 -2.458) 6.732 3.619 ( -2.366 4.042 -0.451) 4.706 3.809 ( -0.030 1.541 0.310) 1.572 3.894 ( 3.866 -0.145 -4.017) 5.577 4.007 ( -4.578 -8.780 3.959) 10.664 11.719 ( -1.117 1.911 -0.011) 2.213 11.878 ( 2.013 -0.194 -0.158) 2.028 11.926 ( -0.810 -1.565 0.075) 1.764 12.007 ( -0.006 0.690 0.091) 0.696 15.998 ( -0.936 2.338 -0.005) 2.518 16.122 ( 1.314 -0.785 0.007) 1.530 20.827 ( 0.075 0.559 -0.002) 0.564 20.903 ( -0.440 -1.720 0.008) 1.775 22.930 ( -0.163 0.876 -0.277) 0.933 22.947 ( 0.291 0.052 0.307) 0.426 23.009 ( -0.100 0.751 0.541) 0.931 23.014 ( 0.031 0.101 -0.549) 0.559 23.493 ( 0.468 1.342 0.406) 1.478 23.513 ( -0.747 0.605 -0.435) 1.055 23.571 ( 0.507 0.608 -0.103) 0.798 23.662 ( 0.812 -0.567 0.103) 0.996 24.723 ( 0.361 1.314 0.084) 1.366 24.794 ( -0.235 -0.899 -0.084) 0.932 26.502 ( -0.029 0.781 0.027) 0.782 26.507 ( -0.060 0.649 -0.025) 0.652 27.620 ( 0.083 1.635 0.401) 1.685 27.632 ( -0.071 1.239 -0.437) 1.316 27.705 ( 0.651 0.253 -0.104) 0.706 27.715 ( 0.797 -0.230 0.136) 0.841 49.902 ( -8.386 11.136 2.107) 14.098 50.161 ( 4.875 -1.029 -0.110) 4.984 50.339 ( 0.132 -4.877 -0.887) 4.959 50.946 ( 1.954 -2.536 -4.562) 5.573 51.205 ( -0.116 -12.469 1.656) 12.579 52.091 ( -0.308 2.478 1.369) 2.848 60.463 ( 1.126 -2.614 0.214) 2.854 60.744 ( 1.561 3.488 0.183) 3.825 60.804 ( -3.537 0.399 0.249) 3.568 60.929 ( 0.753 -2.134 -0.150) 2.268 61.058 ( 0.975 1.526 -0.264) 1.830 61.089 ( -1.222 -0.754 0.129) 1.442 ======================= Grid point 37 (15/84) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 2.104 3.644 0.000) 4.207 1.546 ( 0.344 0.596 0.000) 0.688 1.644 ( -1.514 -2.622 0.000) 3.027 1.891 ( 3.688 6.389 0.000) 7.377 2.107 ( 3.323 5.755 0.000) 6.645 2.165 ( -2.250 -3.897 0.000) 4.500 2.397 ( 3.486 6.038 0.000) 6.972 2.435 ( 5.600 9.700 0.000) 11.200 2.766 ( -2.769 -4.796 0.000) 5.538 2.982 ( 1.900 3.290 0.000) 3.799 3.168 ( -2.529 -4.380 0.000) 5.058 3.665 ( 1.248 2.161 0.000) 2.495 3.807 ( -0.133 -0.231 0.000) 0.267 3.869 ( 0.614 1.063 0.000) 1.228 3.999 ( -5.134 -8.892 0.000) 10.267 11.744 ( 0.607 1.051 0.000) 1.214 11.854 ( 0.550 0.952 0.000) 1.100 11.925 ( -1.075 -1.861 0.000) 2.149 12.010 ( 0.395 0.683 0.000) 0.789 16.024 ( 1.063 1.842 0.000) 2.126 16.101 ( -0.086 -0.149 0.000) 0.172 20.829 ( 0.408 0.706 0.000) 0.815 20.898 ( -1.174 -2.033 0.000) 2.347 22.938 ( 0.396 0.685 0.000) 0.791 22.942 ( 0.143 0.247 0.000) 0.285 23.014 ( 0.079 0.137 0.000) 0.158 23.015 ( 0.324 0.561 0.000) 0.648 23.496 ( 0.825 1.429 0.000) 1.650 23.524 ( 0.173 0.300 0.000) 0.347 23.569 ( 0.515 0.892 0.000) 1.030 23.650 ( -0.007 -0.013 0.000) 0.015 24.726 ( 0.911 1.578 0.000) 1.822 24.792 ( -0.638 -1.105 0.000) 1.276 26.506 ( 0.407 0.705 0.000) 0.814 26.511 ( 0.310 0.537 0.000) 0.620 27.629 ( 1.003 1.737 0.000) 2.006 27.641 ( 0.728 1.260 0.000) 1.455 27.700 ( 0.335 0.581 0.000) 0.670 27.705 ( 0.076 0.131 0.000) 0.151 50.060 ( 0.517 0.896 0.000) 1.034 50.168 ( -3.372 -5.841 0.000) 6.745 50.240 ( 6.502 11.262 0.000) 13.005 50.901 ( -2.109 -3.654 0.000) 4.219 51.149 ( -7.388 -12.796 0.000) 14.776 52.107 ( 1.248 2.162 0.000) 2.496 60.440 ( -0.714 -1.237 0.000) 1.428 60.746 ( 1.900 3.292 0.000) 3.801 60.848 ( -0.417 -0.723 0.000) 0.835 60.902 ( -1.283 -2.223 0.000) 2.567 61.057 ( 0.805 1.394 0.000) 1.610 61.097 ( -0.503 -0.871 0.000) 1.005 ======================= Grid point 38 (16/84) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.013 0.023 0.000) 0.027 1.559 ( -0.684 1.185 0.000) 1.368 1.608 ( 1.286 -2.228 -0.000) 2.573 1.983 ( -2.898 5.020 0.000) 5.796 2.081 ( -0.685 1.186 -0.000) 1.369 2.187 ( -0.327 0.566 0.000) 0.654 2.434 ( -6.763 11.714 -0.000) 13.526 2.637 ( 3.356 -5.813 -0.000) 6.712 2.642 ( -0.805 1.394 0.000) 1.610 3.038 ( 0.396 -0.686 -0.000) 0.792 3.100 ( 2.650 -4.590 0.000) 5.301 3.691 ( -1.547 2.680 -0.000) 3.095 3.812 ( 0.392 -0.679 -0.000) 0.784 3.853 ( 2.090 -3.620 0.000) 4.180 3.920 ( 0.070 -0.122 -0.000) 0.141 11.754 ( -0.757 1.312 0.000) 1.515 11.875 ( 0.086 -0.148 -0.000) 0.171 11.895 ( 0.651 -1.128 0.000) 1.303 12.017 ( -0.175 0.303 -0.000) 0.350 16.046 ( -1.332 2.307 -0.000) 2.664 16.097 ( 0.992 -1.719 0.000) 1.984 20.842 ( -0.515 0.892 0.000) 1.031 20.872 ( 0.763 -1.322 -0.000) 1.527 22.943 ( -0.240 0.415 0.000) 0.479 22.947 ( 0.036 -0.062 -0.000) 0.072 23.015 ( -0.019 0.032 -0.000) 0.037 23.020 ( -0.176 0.305 0.000) 0.352 23.515 ( -0.418 0.723 0.000) 0.835 23.523 ( -0.203 0.351 -0.000) 0.405 23.578 ( -0.084 0.145 -0.000) 0.167 23.649 ( 0.292 -0.506 0.000) 0.585 24.747 ( -0.641 1.109 0.000) 1.281 24.776 ( 0.550 -0.952 -0.000) 1.100 26.514 ( -0.218 0.378 0.000) 0.436 26.516 ( -0.134 0.232 -0.000) 0.268 27.650 ( -0.654 1.132 0.000) 1.307 27.653 ( -0.435 0.753 -0.000) 0.869 27.704 ( 0.408 -0.706 0.000) 0.815 27.704 ( 0.108 -0.187 -0.000) 0.216 50.066 ( -2.353 4.076 -0.000) 4.706 50.100 ( 1.475 -2.555 0.000) 2.950 50.394 ( -4.075 7.059 -0.000) 8.151 50.906 ( 1.363 -2.360 0.000) 2.725 50.950 ( 5.784 -10.019 -0.000) 11.569 52.128 ( -0.626 1.085 0.000) 1.253 60.428 ( 0.524 -0.908 0.000) 1.048 60.809 ( -0.884 1.531 0.000) 1.768 60.811 ( -1.046 1.812 -0.000) 2.092 60.879 ( 1.629 -2.821 0.000) 3.257 61.078 ( -0.073 0.127 -0.000) 0.146 61.082 ( -0.132 0.228 0.000) 0.263 ======================= Grid point 133 (17/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 0.000 -0.000 17.423) 17.423 0.343 ( 0.000 0.000 17.423) 17.423 0.595 ( 0.000 0.000 30.272) 30.272 1.412 ( 0.000 -0.000 -8.444) 8.444 1.412 ( -0.000 -0.000 -8.444) 8.444 1.860 ( 0.000 -0.000 3.724) 3.724 1.860 ( 0.000 0.000 3.724) 3.724 2.566 ( 0.000 0.000 -16.053) 16.053 2.986 ( 0.000 0.000 5.171) 5.171 3.295 ( 0.000 0.000 0.887) 0.887 3.661 ( 0.000 0.000 0.259) 0.259 3.661 ( 0.000 0.000 0.259) 0.259 3.735 ( 0.000 0.000 -0.369) 0.369 3.735 ( 0.000 0.000 -0.369) 0.369 4.350 ( 0.000 -0.000 1.008) 1.008 11.701 ( 0.000 -0.000 -2.522) 2.522 11.701 ( 0.000 0.000 -2.522) 2.522 11.992 ( 0.000 0.000 2.923) 2.923 11.992 ( 0.000 0.000 2.923) 2.923 15.861 ( 0.000 -0.000 -0.057) 0.057 15.922 ( 0.000 0.000 0.507) 0.507 20.850 ( 0.000 0.000 -0.923) 0.923 21.147 ( 0.000 -0.000 0.655) 0.655 22.816 ( -0.000 -0.000 0.329) 0.329 22.816 ( 0.000 0.000 0.329) 0.329 22.888 ( 0.000 -0.000 -0.529) 0.529 22.888 ( 0.000 0.000 -0.529) 0.529 23.395 ( 0.000 -0.000 0.658) 0.658 23.395 ( 0.000 0.000 0.658) 0.658 23.465 ( 0.000 -0.000 -0.251) 0.251 23.465 ( 0.000 -0.000 -0.251) 0.251 24.858 ( -0.000 0.000 -0.718) 0.718 24.900 ( -0.000 0.000 1.004) 1.004 26.401 ( 0.000 0.000 -0.065) 0.065 26.422 ( 0.000 -0.000 0.255) 0.255 27.454 ( 0.000 -0.000 -0.396) 0.396 27.454 ( 0.000 -0.000 -0.396) 0.396 27.480 ( 0.000 -0.000 0.390) 0.390 27.480 ( 0.000 0.000 0.390) 0.390 49.825 ( 0.000 0.000 -7.491) 7.491 49.825 ( 0.000 0.000 -7.491) 7.491 51.101 ( 0.000 -0.000 6.256) 6.256 51.101 ( 0.000 0.000 6.256) 6.256 52.082 ( 0.000 0.000 -1.585) 1.585 52.358 ( 0.000 -0.000 1.183) 1.183 60.545 ( -0.000 -0.000 0.561) 0.561 60.545 ( 0.000 0.000 0.561) 0.561 60.871 ( 0.000 -0.000 -1.410) 1.410 60.993 ( 0.000 0.000 1.440) 1.440 61.007 ( 0.000 -0.000 -0.589) 0.589 61.007 ( 0.000 -0.000 -0.589) 0.589 ======================= Grid point 134 (18/84) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 9.570 5.525 8.856) 14.161 0.464 ( 6.537 3.774 16.567) 18.206 0.969 ( 25.077 14.478 18.103) 34.150 1.447 ( 5.638 3.255 -11.093) 12.863 1.493 ( 4.416 2.549 -6.035) 7.901 1.837 ( -1.031 -0.595 3.472) 3.670 2.007 ( 8.733 5.042 -0.142) 10.085 2.398 ( -12.774 -7.375 -1.401) 14.817 2.919 ( -4.779 -2.759 4.992) 7.441 3.038 ( -6.106 -3.525 -5.806) 9.133 3.547 ( -7.557 -4.363 9.363) 12.799 3.644 ( -1.225 -0.707 0.030) 1.415 3.742 ( 0.287 0.166 -0.114) 0.350 3.791 ( 3.519 2.032 3.484) 5.353 4.609 ( 7.846 4.530 -12.794) 15.677 11.696 ( -0.402 -0.232 -2.498) 2.540 11.716 ( 1.220 0.705 -2.346) 2.737 11.992 ( -0.080 -0.046 2.903) 2.904 11.995 ( 0.292 0.169 2.746) 2.767 15.883 ( 1.868 1.079 -0.084) 2.159 15.926 ( 0.413 0.238 0.494) 0.686 20.843 ( -0.497 -0.287 -0.994) 1.148 21.131 ( -1.381 -0.797 0.755) 1.764 22.815 ( 0.299 0.173 -0.116) 0.364 22.869 ( 2.166 1.250 -1.400) 2.866 22.902 ( 0.833 0.481 -0.091) 0.966 22.908 ( 2.259 1.304 -0.878) 2.752 23.396 ( 0.382 0.221 0.234) 0.500 23.407 ( 0.665 0.384 0.899) 1.182 23.462 ( 0.075 0.043 -0.498) 0.506 23.500 ( 2.179 1.258 -1.139) 2.762 24.733 ( -6.173 -3.564 7.136) 10.086 24.875 ( -0.581 -0.335 1.020) 1.221 26.408 ( 0.669 0.386 -0.076) 0.776 26.429 ( 0.584 0.337 0.257) 0.722 27.469 ( 1.501 0.867 -0.415) 1.783 27.469 ( 1.033 0.596 -0.482) 1.286 27.484 ( 0.689 0.398 0.475) 0.927 27.505 ( 1.955 1.129 0.364) 2.287 49.857 ( 0.575 0.332 -5.556) 5.596 50.067 ( 14.234 8.218 -23.039) 28.301 50.759 ( -20.605 -11.896 5.170) 24.348 51.045 ( -2.722 -1.572 4.565) 5.542 52.142 ( -9.383 -5.417 6.625) 12.700 52.256 ( 3.426 1.978 4.753) 6.185 60.545 ( 0.107 0.062 0.418) 0.436 60.595 ( 2.644 1.526 0.925) 3.190 60.877 ( 0.665 0.384 -1.403) 1.600 61.005 ( -0.177 -0.102 -0.499) 0.539 61.010 ( 0.636 0.367 0.698) 1.014 61.031 ( 1.791 1.034 0.271) 2.086 ======================= Grid point 135 (19/84) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 12.659 7.309 1.562) 14.701 0.670 ( 10.799 6.235 7.490) 14.546 1.516 ( 21.910 12.650 9.304) 26.956 1.599 ( 4.850 2.800 -3.364) 6.533 1.630 ( 9.605 5.545 -11.340) 15.862 1.816 ( -0.799 -0.461 2.835) 2.981 2.136 ( -8.232 -4.753 0.307) 9.511 2.199 ( 7.343 4.240 3.651) 9.232 2.863 ( -0.860 -0.497 -3.637) 3.770 2.955 ( -2.803 -1.618 -6.239) 7.029 3.387 ( -6.442 -3.720 6.388) 9.805 3.609 ( -1.819 -1.050 -0.112) 2.103 3.747 ( 0.150 0.087 0.015) 0.174 3.840 ( 0.882 0.509 4.450) 4.565 4.654 ( -2.022 -1.168 -6.153) 6.581 11.684 ( -0.611 -0.353 -2.392) 2.494 11.753 ( 1.982 1.144 -1.980) 3.027 11.988 ( -0.235 -0.136 2.820) 2.834 12.004 ( 0.527 0.304 2.340) 2.418 15.924 ( 0.975 0.563 0.105) 1.131 15.956 ( 2.798 1.616 0.201) 3.238 20.831 ( -0.554 -0.320 -1.017) 1.201 21.088 ( -2.337 -1.349 0.715) 2.792 22.829 ( 0.922 0.532 -0.509) 1.180 22.911 ( 1.900 1.097 -1.147) 2.476 22.923 ( 0.990 0.571 0.330) 1.189 22.959 ( 1.880 1.085 -0.017) 2.171 23.414 ( 1.331 0.768 -0.402) 1.588 23.423 ( 0.743 0.429 0.741) 1.134 23.469 ( 0.495 0.286 -0.411) 0.704 23.553 ( 2.500 1.443 -0.800) 2.996 24.662 ( -0.927 -0.535 4.533) 4.657 24.860 ( -0.764 -0.441 0.625) 1.081 26.428 ( 1.072 0.619 -0.096) 1.241 26.447 ( 0.915 0.528 0.253) 1.086 27.498 ( 1.524 0.880 -0.748) 1.912 27.510 ( 1.534 0.886 0.739) 1.919 27.518 ( 2.787 1.609 -0.478) 3.254 27.563 ( 3.043 1.757 0.452) 3.542 49.848 ( -1.402 -0.809 -2.319) 2.828 50.249 ( -1.307 -0.755 -3.918) 4.199 50.474 ( -1.375 -0.794 -19.983) 20.046 50.986 ( -2.350 -1.357 1.773) 3.241 51.794 ( -17.317 -9.998 -1.606) 20.061 52.361 ( 2.822 1.630 15.577) 15.915 60.550 ( 0.368 0.213 0.234) 0.486 60.640 ( 1.494 0.862 3.286) 3.711 60.899 ( 1.238 0.715 -1.541) 2.102 60.988 ( -2.410 -1.391 1.701) 3.262 60.999 ( -0.428 -0.247 -0.351) 0.606 61.083 ( 2.340 1.351 0.393) 2.730 ======================= Grid point 136 (20/84) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 10.823 6.248 1.285) 12.563 0.922 ( 10.865 6.273 -1.085) 12.592 1.701 ( 4.096 2.365 -0.669) 4.777 1.802 ( -0.419 -0.242 1.725) 1.791 1.806 ( 4.821 2.784 -10.893) 12.233 1.896 ( 10.679 6.166 4.397) 13.092 1.990 ( -3.118 -1.800 -2.886) 4.615 2.407 ( 10.074 5.816 8.876) 14.632 2.851 ( -0.803 -0.464 -2.351) 2.527 2.922 ( 1.068 0.617 -5.263) 5.406 3.276 ( -2.994 -1.729 2.044) 4.016 3.566 ( -1.887 -1.090 -0.133) 2.183 3.749 ( -0.006 -0.003 -0.024) 0.025 3.837 ( -0.872 -0.504 2.419) 2.620 4.561 ( -5.817 -3.358 -1.152) 6.815 11.670 ( -0.635 -0.367 -2.242) 2.359 11.801 ( 2.234 1.290 -1.635) 3.054 11.982 ( -0.339 -0.195 2.700) 2.728 12.016 ( 0.451 0.260 1.933) 2.001 15.938 ( 0.491 0.283 0.234) 0.613 16.031 ( 3.519 2.032 -0.058) 4.064 20.820 ( -0.393 -0.227 -0.782) 0.904 21.030 ( -2.722 -1.571 0.615) 3.202 22.853 ( 1.175 0.678 -0.768) 1.559 22.944 ( 0.862 0.498 0.659) 1.194 22.953 ( 1.736 1.002 -0.934) 2.211 22.989 ( 0.851 0.491 0.529) 1.116 23.441 ( 0.827 0.477 0.259) 0.989 23.455 ( 2.152 1.242 -1.129) 2.729 23.482 ( 0.566 0.327 -0.056) 0.656 23.610 ( 2.550 1.472 -0.191) 2.951 24.666 ( 0.972 0.561 2.334) 2.590 24.841 ( -0.898 -0.519 0.387) 1.107 26.453 ( 1.071 0.618 -0.116) 1.242 26.468 ( 0.913 0.527 0.245) 1.082 27.535 ( 1.668 0.963 -0.886) 2.120 27.549 ( 1.896 1.094 0.865) 2.354 27.587 ( 3.182 1.837 -0.581) 3.720 27.635 ( 3.252 1.877 0.575) 3.798 49.798 ( -2.924 -1.688 0.879) 3.489 50.156 ( -2.961 -1.710 1.894) 3.909 50.525 ( 0.806 0.465 -24.748) 24.765 50.945 ( -1.225 -0.707 -0.925) 1.690 51.451 ( -11.509 -6.645 -1.872) 13.421 52.370 ( -1.838 -1.061 14.520) 14.674 60.561 ( 0.546 0.315 0.086) 0.637 60.667 ( 1.004 0.579 3.799) 3.972 60.910 ( -3.630 -2.096 0.490) 4.221 60.935 ( 1.261 0.728 -0.550) 1.557 60.987 ( -0.597 -0.345 -0.202) 0.719 61.120 ( 0.820 0.473 0.181) 0.964 ======================= Grid point 137 (21/84) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 7.593 4.384 -2.135) 9.024 1.144 ( 9.397 5.426 -3.263) 11.331 1.769 ( 1.212 0.699 3.959) 4.199 1.797 ( -3.321 -1.917 -4.062) 5.586 1.803 ( 1.116 0.644 -1.835) 2.242 1.971 ( 0.863 0.498 8.982) 9.037 2.071 ( 4.079 2.355 -14.792) 15.523 2.568 ( 3.547 2.048 9.014) 9.901 2.820 ( -1.572 -0.907 -3.478) 3.923 3.048 ( 9.447 5.454 2.487) 11.188 3.252 ( 0.224 0.130 -2.592) 2.605 3.529 ( -1.369 -0.790 -0.047) 1.582 3.747 ( -0.143 -0.083 -0.192) 0.253 3.818 ( -0.249 -0.144 -0.364) 0.464 4.408 ( -7.607 -4.392 2.444) 9.118 11.657 ( -0.459 -0.265 -2.093) 2.159 11.849 ( 1.967 1.136 -1.461) 2.701 11.974 ( -0.314 -0.181 2.579) 2.604 12.022 ( 0.048 0.028 1.698) 1.699 15.947 ( 0.328 0.189 0.241) 0.449 16.102 ( 2.662 1.537 -0.180) 3.079 20.815 ( -0.023 -0.013 -0.471) 0.472 20.972 ( -2.377 -1.372 0.496) 2.789 22.878 ( 0.993 0.573 -0.906) 1.461 22.960 ( 0.501 0.289 0.881) 1.054 22.986 ( 1.105 0.638 -0.884) 1.552 22.999 ( 0.202 0.117 0.701) 0.739 23.460 ( 0.843 0.487 -0.258) 1.008 23.491 ( 0.279 0.161 0.325) 0.458 23.504 ( 2.063 1.191 -1.717) 2.937 23.662 ( 1.920 1.109 0.279) 2.235 24.695 ( 1.374 0.793 1.450) 2.149 24.821 ( -0.877 -0.507 0.196) 1.032 26.474 ( 0.732 0.422 -0.143) 0.857 26.486 ( 0.656 0.379 0.246) 0.797 27.568 ( 1.242 0.717 -0.860) 1.672 27.590 ( 1.648 0.952 0.826) 2.075 27.653 ( 2.528 1.460 -0.690) 3.000 27.701 ( 2.448 1.413 0.697) 2.911 49.725 ( -3.375 -1.949 2.685) 4.733 50.154 ( 2.795 1.614 -0.920) 3.356 50.436 ( -8.231 -4.752 -18.642) 20.925 50.933 ( 0.147 0.085 -2.333) 2.339 51.334 ( 0.747 0.432 0.488) 0.991 52.288 ( -5.225 -3.017 10.319) 11.953 60.573 ( 0.513 0.296 -0.007) 0.592 60.683 ( 0.297 0.172 2.988) 3.007 60.818 ( -3.873 -2.236 0.029) 4.472 60.974 ( -0.537 -0.310 -0.077) 0.625 60.976 ( 2.108 1.217 -1.016) 2.638 61.120 ( -0.735 -0.424 0.096) 0.854 ======================= Grid point 138 (22/84) ======================= q-point: ( 0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 3.730 2.154 -2.299) 4.882 1.333 ( 7.404 4.275 -7.120) 11.126 1.721 ( -3.545 -2.047 -0.975) 4.208 1.760 ( -1.443 -0.833 3.133) 3.549 1.842 ( 1.587 0.916 -0.537) 1.910 1.949 ( -2.496 -1.441 7.885) 8.395 2.137 ( 2.448 1.413 -10.977) 11.336 2.607 ( 0.596 0.344 5.629) 5.671 2.795 ( -0.415 -0.240 -2.879) 2.918 3.183 ( -2.023 -1.168 0.523) 2.394 3.314 ( 7.393 4.269 0.179) 8.539 3.509 ( -0.369 -0.213 0.107) 0.439 3.743 ( -0.243 -0.140 -0.418) 0.504 3.855 ( 3.938 2.274 -2.993) 5.444 4.234 ( -7.453 -4.303 5.300) 10.107 11.650 ( -0.131 -0.075 -1.990) 1.996 11.885 ( 1.097 0.634 -1.451) 1.927 11.969 ( -0.153 -0.088 2.497) 2.503 12.018 ( -0.359 -0.207 1.649) 1.700 15.952 ( 0.122 0.071 0.247) 0.285 16.144 ( 0.972 0.561 -0.254) 1.150 20.818 ( 0.154 0.089 -0.243) 0.301 20.931 ( -1.070 -0.618 0.386) 1.295 22.896 ( 0.519 0.300 -0.972) 1.142 22.966 ( 0.002 0.001 0.991) 0.991 22.993 ( -0.293 -0.169 -0.455) 0.567 23.010 ( 0.639 0.369 0.287) 0.792 23.472 ( 0.008 0.005 -0.791) 0.791 23.498 ( 0.436 0.252 0.778) 0.926 23.539 ( 0.994 0.574 -2.039) 2.339 23.691 ( 0.625 0.361 0.559) 0.912 24.718 ( 0.526 0.304 1.135) 1.287 24.806 ( -0.291 -0.168 0.122) 0.357 26.485 ( 0.223 0.129 -0.165) 0.306 26.496 ( 0.261 0.151 0.250) 0.392 27.587 ( 0.309 0.178 -0.785) 0.862 27.619 ( 0.815 0.471 0.747) 1.202 27.694 ( 1.040 0.601 -0.770) 1.426 27.739 ( 0.827 0.478 0.782) 1.234 49.655 ( -2.688 -1.552 2.664) 4.091 50.220 ( -8.968 -5.178 -13.142) 16.732 50.281 ( 7.758 4.479 -3.951) 9.791 50.951 ( 1.391 0.803 -2.134) 2.671 51.422 ( 5.698 3.290 4.933) 8.224 52.150 ( -6.820 -3.938 5.127) 9.397 60.582 ( 0.227 0.131 -0.048) 0.267 60.667 ( -1.855 -1.071 0.621) 2.230 60.760 ( -0.927 -0.535 0.052) 1.072 60.965 ( -0.195 -0.112 0.013) 0.225 61.027 ( 2.275 1.313 -0.461) 2.667 61.093 ( -1.454 -0.839 -0.013) 1.679 ======================= Grid point 139 (23/84) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.180 -0.104 -1.363) 1.378 1.463 ( 3.026 1.747 -11.115) 11.651 1.617 ( -5.098 -2.944 4.528) 7.427 1.707 ( -3.301 -1.906 1.403) 4.062 1.868 ( 0.821 0.474 0.682) 1.168 1.918 ( 0.768 0.443 5.326) 5.400 2.177 ( 0.631 0.364 -8.611) 8.642 2.605 ( -0.725 -0.419 5.027) 5.097 2.807 ( 1.398 0.807 -2.520) 2.993 3.056 ( -7.754 -4.477 -2.328) 9.252 3.423 ( 0.559 0.323 3.020) 3.089 3.513 ( 0.791 0.457 0.278) 0.955 3.737 ( -0.277 -0.160 -0.625) 0.703 3.994 ( 8.168 4.716 -5.626) 10.982 4.100 ( -3.949 -2.280 7.776) 9.014 11.652 ( 0.244 0.141 -1.965) 1.985 11.892 ( -0.546 -0.315 -1.400) 1.536 11.968 ( 0.072 0.042 2.483) 2.484 12.011 ( -0.206 -0.119 1.593) 1.610 15.952 ( -0.088 -0.051 0.259) 0.278 16.144 ( -1.019 -0.588 -0.271) 1.207 20.817 ( -0.169 -0.098 -0.253) 0.319 20.931 ( 1.045 0.603 0.380) 1.265 22.901 ( -0.043 -0.025 -0.976) 0.977 22.960 ( -0.522 -0.301 0.977) 1.148 22.982 ( -0.696 -0.402 -0.516) 0.955 23.020 ( 0.258 0.149 0.315) 0.434 23.461 ( -0.864 -0.499 -0.691) 1.214 23.509 ( 0.436 0.252 0.685) 0.850 23.545 ( -0.493 -0.285 -1.993) 2.072 23.687 ( -0.938 -0.542 0.598) 1.237 24.713 ( -0.906 -0.523 0.862) 1.355 24.811 ( 0.661 0.382 0.373) 0.850 26.484 ( -0.304 -0.176 -0.166) 0.388 26.497 ( -0.195 -0.113 0.245) 0.333 27.581 ( -0.765 -0.442 -0.735) 1.149 27.624 ( -0.332 -0.192 0.707) 0.805 27.697 ( -0.767 -0.443 -0.788) 1.186 27.735 ( -1.101 -0.636 0.800) 1.502 49.611 ( -1.223 -0.706 1.155) 1.825 50.044 ( -5.942 -3.431 -9.577) 11.781 50.524 ( 13.444 7.762 -6.819) 16.956 50.993 ( 2.255 1.302 -0.721) 2.702 51.551 ( 5.386 3.110 10.991) 12.629 51.992 ( -7.214 -4.165 -0.474) 8.344 60.582 ( -0.158 -0.091 -0.025) 0.184 60.620 ( -1.912 -1.104 -0.839) 2.362 60.764 ( 0.866 0.500 0.150) 1.011 60.966 ( 0.252 0.145 0.035) 0.293 61.044 ( -1.530 -0.883 0.136) 1.772 61.089 ( 1.829 1.056 -0.184) 2.120 ======================= Grid point 140 (24/84) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -4.025 -2.324 1.421) 4.860 1.354 ( -10.085 -5.823 -1.447) 11.735 1.613 ( -4.961 -2.864 -1.675) 5.968 1.614 ( 2.176 1.256 -1.167) 2.770 1.882 ( 0.390 0.225 1.542) 1.606 1.969 ( 2.845 1.643 1.526) 3.623 2.145 ( -3.432 -1.981 -8.330) 9.225 2.546 ( -5.759 -3.325 5.693) 8.754 2.847 ( 1.543 0.891 -2.125) 2.773 2.913 ( -2.657 -1.534 -1.104) 3.260 3.347 ( -5.798 -3.348 1.302) 6.821 3.542 ( 1.670 0.964 0.420) 1.973 3.731 ( -0.219 -0.127 -0.751) 0.793 4.047 ( -1.299 -0.750 9.566) 9.683 4.205 ( 9.859 5.692 -7.112) 13.423 11.661 ( 0.540 0.312 -2.027) 2.121 11.861 ( -2.056 -1.187 -1.312) 2.712 11.972 ( 0.251 0.145 2.542) 2.558 12.010 ( 0.040 0.023 1.539) 1.539 15.948 ( -0.266 -0.154 0.290) 0.422 16.101 ( -2.727 -1.574 -0.238) 3.158 20.814 ( -0.006 -0.003 -0.502) 0.502 20.971 ( 2.392 1.381 0.491) 2.805 22.894 ( -0.539 -0.311 -0.843) 1.048 22.943 ( -0.947 -0.547 0.787) 1.347 22.962 ( -1.051 -0.607 -0.782) 1.444 23.020 ( -0.328 -0.189 0.510) 0.635 23.438 ( -1.071 -0.619 -0.572) 1.363 23.513 ( -0.074 -0.043 0.644) 0.649 23.520 ( -1.683 -0.972 -1.527) 2.472 23.651 ( -2.187 -1.262 0.309) 2.544 24.686 ( -1.292 -0.746 1.036) 1.817 24.829 ( 0.814 0.470 0.563) 1.095 26.472 ( -0.758 -0.437 -0.155) 0.888 26.487 ( -0.636 -0.367 0.245) 0.774 27.554 ( -1.547 -0.893 -0.689) 1.914 27.605 ( -1.334 -0.770 0.679) 1.683 27.662 ( -2.264 -1.307 -0.736) 2.716 27.692 ( -2.700 -1.559 0.745) 3.206 49.603 ( 0.529 0.306 -1.251) 1.392 49.965 ( -1.059 -0.611 -6.248) 6.367 50.872 ( 17.150 9.902 -11.699) 23.001 51.047 ( 2.508 1.448 1.344) 3.193 51.646 ( 2.279 1.316 13.634) 13.885 51.836 ( -5.817 -3.358 -1.284) 6.838 60.576 ( -0.402 -0.232 0.079) 0.471 60.588 ( -0.938 -0.541 -0.449) 1.172 60.795 ( 1.960 1.131 -0.122) 2.266 60.975 ( 0.519 0.300 -0.039) 0.600 61.002 ( -1.982 -1.144 -0.150) 2.294 61.126 ( 1.044 0.603 0.269) 1.235 ======================= Grid point 141 (25/84) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -12.150 -7.015 2.982) 14.343 1.113 ( -8.257 -4.767 6.121) 11.330 1.499 ( -4.791 -2.766 -6.213) 8.319 1.583 ( -7.154 -4.130 0.616) 8.283 1.887 ( 0.104 0.060 2.296) 2.299 1.978 ( -4.075 -2.353 -12.028) 12.916 2.079 ( -0.054 -0.031 1.827) 1.828 2.369 ( -7.919 -4.572 8.059) 12.188 2.858 ( 0.479 0.276 -2.341) 2.405 2.938 ( 1.689 0.975 -3.570) 4.068 3.256 ( -0.256 -0.148 1.998) 2.020 3.584 ( 1.966 1.135 0.494) 2.323 3.728 ( -0.090 -0.052 -0.770) 0.777 4.010 ( -2.304 -1.330 9.490) 9.856 4.416 ( 8.568 4.947 -7.788) 12.591 11.675 ( 0.661 0.381 -2.158) 2.289 11.808 ( -2.558 -1.477 -1.547) 3.334 11.978 ( 0.311 0.179 2.651) 2.675 12.009 ( -0.118 -0.068 1.834) 1.839 15.941 ( -0.385 -0.222 0.350) 0.566 16.028 ( -3.620 -2.090 -0.183) 4.183 20.819 ( 0.395 0.228 -0.820) 0.938 21.030 ( 2.739 1.581 0.619) 3.223 22.878 ( -0.882 -0.509 -0.407) 1.097 22.919 ( -1.106 -0.639 0.291) 1.310 22.935 ( -1.357 -0.784 -1.143) 1.940 23.003 ( -1.275 -0.736 0.616) 1.596 23.416 ( -0.904 -0.522 -0.401) 1.118 23.476 ( -2.005 -1.157 -0.709) 2.421 23.506 ( -0.536 -0.309 0.582) 0.849 23.595 ( -2.671 -1.542 -0.340) 3.102 24.661 ( -0.790 -0.456 2.037) 2.232 24.846 ( 0.739 0.427 0.632) 1.062 26.451 ( -1.037 -0.599 -0.138) 1.205 26.469 ( -0.941 -0.543 0.254) 1.116 27.516 ( -1.748 -1.009 -0.620) 2.112 27.568 ( -1.825 -1.053 0.622) 2.197 27.601 ( -2.952 -1.704 -0.651) 3.470 27.621 ( -3.463 -2.000 0.655) 4.052 49.633 ( 2.089 1.206 -3.938) 4.618 49.996 ( 3.682 2.126 -3.218) 5.332 51.099 ( 2.005 1.158 3.544) 4.233 51.222 ( 9.119 5.265 -26.692) 28.693 51.604 ( -0.625 -0.361 1.166) 1.372 51.829 ( 4.270 2.465 22.596) 23.128 60.566 ( -0.440 -0.254 0.256) 0.568 60.575 ( -0.344 -0.199 0.479) 0.622 60.851 ( 2.939 1.697 0.139) 3.396 60.959 ( -1.776 -1.026 -0.425) 2.095 60.987 ( 0.521 0.301 -0.203) 0.635 61.127 ( -1.015 -0.586 0.465) 1.261 ======================= Grid point 142 (26/84) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -13.734 -7.930 4.659) 16.529 0.884 ( -12.014 -6.936 10.359) 17.313 1.273 ( -18.840 -10.878 7.434) 22.990 1.413 ( -2.749 -1.587 -9.385) 9.907 1.804 ( -10.512 -6.069 -9.054) 15.142 1.886 ( -0.206 -0.119 3.006) 3.015 2.109 ( -0.718 -0.414 0.767) 1.130 2.264 ( 0.691 0.399 5.338) 5.398 2.872 ( 0.877 0.506 -2.796) 2.974 2.964 ( 1.684 0.972 -7.168) 7.428 3.352 ( 7.402 4.273 6.700) 10.860 3.625 ( 1.650 0.953 0.492) 1.968 3.727 ( 0.051 0.029 -0.705) 0.707 3.937 ( -4.220 -2.437 8.127) 9.476 4.570 ( 4.602 2.657 -9.612) 10.983 11.689 ( 0.568 0.328 -2.318) 2.409 11.753 ( -2.195 -1.267 -1.993) 3.224 11.985 ( 0.262 0.151 2.774) 2.791 12.004 ( -0.312 -0.180 2.340) 2.367 15.931 ( -0.577 -0.333 0.416) 0.786 15.948 ( -3.190 -1.842 -0.115) 3.685 20.830 ( 0.581 0.336 -1.037) 1.236 21.088 ( 2.337 1.349 0.720) 2.793 22.856 ( -1.065 -0.615 0.297) 1.265 22.897 ( -0.816 -0.471 -0.454) 1.045 22.902 ( -1.616 -0.933 -1.703) 2.526 22.964 ( -2.128 -1.228 0.449) 2.498 23.399 ( -0.536 -0.310 -0.118) 0.630 23.436 ( -1.491 -0.861 0.213) 1.734 23.492 ( -0.719 -0.415 0.401) 0.922 23.537 ( -2.429 -1.403 -1.219) 3.058 24.660 ( 1.030 0.595 4.376) 4.535 24.862 ( 0.654 0.378 0.732) 1.051 26.427 ( -1.021 -0.589 -0.111) 1.184 26.447 ( -0.956 -0.552 0.261) 1.134 27.481 ( -1.366 -0.789 -0.529) 1.664 27.528 ( -1.709 -0.987 0.533) 2.044 27.536 ( -2.740 -1.582 -0.729) 3.246 27.545 ( -3.089 -1.783 0.714) 3.638 49.692 ( 3.047 1.759 -6.280) 7.198 50.112 ( 5.726 3.306 -1.943) 6.892 51.099 ( -13.424 -7.751 -31.799) 35.376 51.132 ( 0.815 0.471 5.406) 5.487 51.844 ( 15.318 8.844 0.050) 17.687 51.961 ( 7.562 4.366 26.501) 27.902 60.557 ( -0.371 -0.214 0.451) 0.622 60.571 ( -0.105 -0.061 0.928) 0.936 60.903 ( -0.033 -0.019 -0.011) 0.039 60.941 ( 1.785 1.031 0.097) 2.064 60.997 ( 0.380 0.219 -0.405) 0.597 61.083 ( -2.692 -1.554 0.645) 3.175 ======================= Grid point 143 (27/84) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -15.195 -8.773 6.231) 18.619 0.594 ( -13.238 -7.643 13.843) 20.623 0.838 ( -17.586 -10.153 20.518) 28.868 1.381 ( -0.011 -0.007 -9.853) 9.853 1.560 ( -9.946 -5.742 -7.084) 13.494 1.877 ( -0.594 -0.343 3.542) 3.608 1.983 ( -8.270 -4.775 -1.020) 9.604 2.420 ( 10.284 5.937 -1.959) 12.035 2.926 ( 4.408 2.545 5.628) 7.588 3.037 ( 6.305 3.640 -5.994) 9.431 3.536 ( 8.361 4.827 9.235) 13.360 3.654 ( 0.843 0.487 0.431) 1.064 3.730 ( 0.184 0.106 -0.587) 0.625 3.824 ( -5.781 -3.338 4.558) 8.083 4.578 ( -5.614 -3.241 -13.405) 14.891 11.699 ( 0.294 0.170 -2.455) 2.478 11.714 ( -1.214 -0.701 -2.389) 2.770 11.990 ( 0.167 0.096 2.875) 2.882 11.997 ( -0.306 -0.176 2.769) 2.792 15.884 ( -2.005 -1.157 -0.069) 2.316 15.925 ( -0.274 -0.158 0.478) 0.573 20.843 ( 0.512 0.296 -0.997) 1.159 21.131 ( 1.374 0.793 0.755) 1.757 22.832 ( -0.949 -0.548 0.592) 1.246 22.859 ( -2.371 -1.369 -2.259) 3.549 22.885 ( -0.203 -0.117 -0.773) 0.807 22.916 ( -1.907 -1.101 -0.021) 2.202 23.392 ( -0.085 -0.049 0.264) 0.282 23.410 ( -0.885 -0.511 0.792) 1.293 23.476 ( -0.617 -0.356 0.098) 0.719 23.489 ( -1.878 -1.084 -1.665) 2.734 24.733 ( 6.185 3.571 7.083) 10.058 24.875 ( 0.543 0.314 1.044) 1.218 26.408 ( -0.647 -0.373 -0.079) 0.751 26.429 ( -0.602 -0.347 0.258) 0.741 27.458 ( -0.611 -0.353 -0.442) 0.833 27.481 ( -2.027 -1.170 -0.484) 2.390 27.494 ( -1.460 -0.843 0.425) 1.738 27.495 ( -1.120 -0.647 0.440) 1.366 49.763 ( 3.126 1.805 -7.649) 8.458 50.118 ( -10.234 -5.909 -14.309) 18.558 50.897 ( 1.835 1.060 -9.860) 10.085 51.133 ( -0.730 -0.421 6.458) 6.513 52.067 ( 4.876 2.815 17.635) 18.512 52.201 ( 11.300 6.524 -0.299) 13.052 60.550 ( -0.271 -0.156 0.576) 0.655 60.566 ( -0.567 -0.327 0.401) 0.768 60.881 ( -0.971 -0.560 -1.125) 1.588 60.995 ( 1.689 0.975 0.590) 2.037 61.004 ( 0.218 0.126 -0.557) 0.611 61.023 ( -2.201 -1.271 0.957) 2.716 ======================= Grid point 145 (28/84) ======================= q-point: ( 0.09 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.312 12.751 13.812) 18.800 0.713 ( 1.918 20.610 -0.025) 20.700 1.281 ( 20.500 16.547 12.068) 28.977 1.468 ( 8.605 1.695 -10.078) 13.360 1.671 ( -0.556 11.797 -5.861) 13.184 1.866 ( -1.750 2.540 2.220) 3.800 2.114 ( 4.914 4.168 1.200) 6.554 2.237 ( -7.605 -6.161 2.394) 10.076 2.874 ( -1.203 -1.310 -2.506) 3.073 2.973 ( -1.773 -2.764 -6.523) 7.302 3.410 ( -3.357 -8.318 7.334) 11.586 3.632 ( -1.257 -0.750 0.196) 1.477 3.735 ( 0.813 -0.223 -0.664) 1.073 3.874 ( -1.178 4.826 6.353) 8.065 4.626 ( 1.700 -3.258 -9.111) 9.825 11.692 ( -0.367 -0.233 -2.421) 2.460 11.739 ( 1.005 1.648 -2.067) 2.829 11.991 ( 0.207 -0.044 2.838) 2.846 11.999 ( 0.032 0.215 2.449) 2.458 15.923 ( 0.954 2.764 -0.093) 2.926 15.934 ( 1.066 0.727 0.429) 1.360 20.834 ( -0.309 -0.580 -1.049) 1.238 21.102 ( -1.237 -2.128 0.737) 2.569 22.837 ( -0.423 1.687 -0.088) 1.741 22.884 ( 1.169 0.449 -1.190) 1.727 22.922 ( 1.926 1.394 -0.555) 2.441 22.944 ( 0.791 2.168 0.121) 2.311 23.401 ( 0.752 0.403 -0.016) 0.854 23.424 ( 0.338 1.304 0.521) 1.445 23.475 ( -0.448 1.048 -0.191) 1.155 23.531 ( 1.865 1.984 -1.068) 2.925 24.670 ( -1.086 -1.948 5.341) 5.788 24.865 ( -0.439 -0.635 0.743) 1.071 26.422 ( 0.603 0.977 -0.096) 1.152 26.442 ( 0.491 0.905 0.257) 1.062 27.480 ( 1.434 1.051 -0.407) 1.824 27.502 ( 0.219 1.830 -0.356) 1.877 27.518 ( 0.821 3.055 0.426) 3.192 27.538 ( 2.163 2.188 0.305) 3.092 49.788 ( 5.429 -3.830 -5.973) 8.934 50.178 ( 2.434 -3.779 -6.608) 7.992 50.716 ( -20.581 7.131 -13.761) 25.764 51.096 ( -4.025 6.998 -0.213) 8.076 51.915 ( -10.502 -15.088 0.574) 18.392 52.199 ( 11.953 -7.676 16.761) 21.971 60.543 ( -0.069 -0.351 0.419) 0.551 60.609 ( 2.817 0.341 2.008) 3.476 60.897 ( 0.451 1.397 -1.003) 1.778 60.976 ( 0.456 -2.925 0.475) 2.998 61.000 ( -0.203 -0.769 0.054) 0.797 61.069 ( 1.648 2.653 0.493) 3.162 ======================= Grid point 146 (29/84) ======================= q-point: ( 0.18 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 6.566 10.883 8.238) 15.147 0.951 ( 3.591 17.253 -3.855) 18.039 1.653 ( 9.881 1.773 -9.118) 13.562 1.690 ( 8.955 5.882 2.011) 10.902 1.790 ( 5.707 10.158 3.284) 12.105 1.881 ( -1.146 5.757 -2.236) 6.282 2.049 ( -5.860 -2.985 -0.516) 6.597 2.286 ( 8.582 4.067 7.154) 11.890 2.855 ( -0.429 -0.519 -2.808) 2.888 2.923 ( -1.416 -1.316 -6.701) 6.974 3.290 ( -2.515 -5.131 3.781) 6.852 3.602 ( -2.047 0.265 -0.033) 2.064 3.750 ( 0.779 0.390 -0.833) 1.205 3.874 ( -2.793 2.356 5.406) 6.525 4.570 ( -1.759 -7.253 -3.764) 8.359 11.683 ( -0.709 0.173 -2.334) 2.446 11.777 ( 1.773 1.281 -1.649) 2.739 11.990 ( -0.507 0.327 2.633) 2.701 12.006 ( 0.761 -0.157 2.122) 2.259 15.941 ( 0.094 1.173 0.246) 1.202 15.996 ( 3.000 2.455 -0.026) 3.877 20.823 ( -0.346 -0.434 -0.889) 1.048 21.052 ( -2.021 -2.360 0.654) 3.175 22.853 ( 0.266 1.718 -0.543) 1.822 22.912 ( 1.851 0.018 -0.657) 1.965 22.960 ( 0.761 2.008 0.172) 2.154 22.977 ( 1.081 0.913 0.250) 1.436 23.424 ( 1.336 0.478 -0.104) 1.422 23.448 ( 0.745 1.772 -0.413) 1.967 23.483 ( 0.080 1.089 -0.043) 1.093 23.585 ( 2.216 1.809 -0.388) 2.887 24.659 ( 0.430 0.384 2.859) 2.917 24.849 ( -0.700 -0.667 0.512) 1.094 26.445 ( 0.877 1.031 -0.108) 1.358 26.461 ( 0.703 0.943 0.245) 1.201 27.520 ( 1.831 1.340 -0.305) 2.289 27.531 ( 1.153 1.668 -0.215) 2.039 27.571 ( 1.682 3.273 0.097) 3.681 27.604 ( 2.846 2.381 0.401) 3.732 49.837 ( 1.389 0.886 -1.631) 2.319 50.146 ( 1.007 -7.615 -2.699) 8.142 50.492 ( -8.273 -0.983 -13.706) 16.039 51.100 ( -7.167 10.440 -5.487) 13.801 51.576 ( -12.128 -10.694 -1.666) 16.255 52.284 ( 6.807 -8.376 15.386) 18.794 60.541 ( 0.682 -1.293 0.316) 1.495 60.651 ( 1.695 0.540 3.381) 3.820 60.920 ( 0.970 0.068 -0.312) 1.021 60.943 ( -1.720 -1.205 0.015) 2.100 60.989 ( -0.140 -0.780 -0.228) 0.825 61.112 ( 0.974 1.334 0.261) 1.672 ======================= Grid point 147 (30/84) ======================= q-point: ( 0.27 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 7.836 8.343 3.391) 11.938 1.156 ( 3.024 13.225 -5.658) 14.699 1.748 ( 0.932 -1.486 -1.604) 2.377 1.800 ( 2.946 4.909 -0.461) 5.744 1.865 ( -3.155 1.588 -1.994) 4.056 1.985 ( -1.417 3.306 4.480) 5.745 2.027 ( 6.210 6.102 -9.280) 12.725 2.479 ( 8.691 1.286 9.427) 12.887 2.831 ( -1.519 -1.648 -3.525) 4.177 2.945 ( 5.802 1.524 -0.921) 6.069 3.239 ( 0.119 -1.679 -0.517) 1.761 3.571 ( -2.585 1.525 -0.060) 3.001 3.767 ( 0.049 1.710 -0.949) 1.957 3.836 ( -2.766 0.319 2.770) 3.928 4.441 ( -4.031 -8.790 0.360) 9.677 11.672 ( -0.935 0.631 -2.202) 2.474 11.821 ( 2.217 0.709 -1.356) 2.694 11.981 ( -0.680 -0.159 2.162) 2.272 12.018 ( 0.588 0.197 2.132) 2.220 15.954 ( -0.102 1.337 0.225) 1.360 16.068 ( 3.013 1.702 -0.126) 3.463 20.816 ( -0.135 -0.123 -0.590) 0.618 20.993 ( -2.168 -2.237 0.542) 3.162 22.875 ( 0.502 1.490 -0.781) 1.756 22.941 ( 1.510 -0.110 -0.037) 1.514 22.987 ( 0.271 1.675 -0.097) 1.700 22.996 ( 0.589 0.296 0.592) 0.886 23.450 ( 1.108 0.625 -0.084) 1.275 23.482 ( 1.156 1.248 -1.241) 2.105 23.498 ( 0.423 1.457 -0.076) 1.519 23.637 ( 2.150 1.247 0.171) 2.492 24.682 ( 1.184 1.063 1.619) 2.270 24.829 ( -0.824 -0.684 0.323) 1.118 26.469 ( 0.727 0.941 -0.118) 1.195 26.481 ( 0.589 0.847 0.231) 1.057 27.560 ( 1.122 1.626 -0.709) 2.099 27.572 ( 1.821 1.328 0.425) 2.294 27.632 ( 1.991 2.482 -0.319) 3.198 27.672 ( 2.676 1.843 0.578) 3.300 49.834 ( -5.737 5.530 1.735) 8.155 50.102 ( 1.926 -4.177 -2.539) 5.254 50.400 ( 1.380 -9.412 -15.357) 18.065 51.019 ( -8.652 2.172 -2.594) 9.290 51.385 ( -4.893 1.469 -0.808) 5.172 52.267 ( 1.325 -8.608 10.807) 13.880 60.539 ( 1.258 -2.534 0.262) 2.841 60.680 ( 1.016 0.982 3.051) 3.363 60.872 ( -3.578 -1.444 0.421) 3.881 60.951 ( 0.865 0.290 -1.134) 1.455 60.985 ( 0.125 0.698 -0.354) 0.793 61.125 ( -0.191 -0.075 0.182) 0.274 ======================= Grid point 148 (31/84) ======================= q-point: ( 0.36 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 5.602 5.622 0.587) 7.958 1.310 ( 2.738 9.174 -7.224) 11.993 1.711 ( -1.778 -3.928 -0.774) 4.380 1.831 ( -3.219 3.461 0.446) 4.748 1.872 ( 0.446 4.567 0.540) 4.621 2.003 ( -2.090 4.110 6.748) 8.173 2.127 ( 0.727 3.493 -11.949) 12.470 2.578 ( 3.661 -0.285 6.859) 7.781 2.785 ( -0.795 -2.867 -3.940) 4.937 3.124 ( 9.633 1.818 4.270) 10.693 3.236 ( 1.655 -1.788 -3.344) 4.137 3.547 ( -2.441 2.578 0.068) 3.551 3.776 ( -1.923 2.677 0.097) 3.298 3.820 ( 1.598 0.335 -1.314) 2.096 4.276 ( -4.970 -8.795 3.622) 10.732 11.665 ( -0.905 1.006 -2.081) 2.483 11.862 ( 2.038 0.298 -1.268) 2.419 11.966 ( -0.408 -0.979 1.795) 2.085 12.027 ( -0.129 0.625 2.261) 2.350 15.963 ( -0.436 1.426 0.215) 1.507 16.123 ( 2.036 0.516 -0.206) 2.111 20.817 ( 0.132 0.239 -0.303) 0.408 20.941 ( -1.476 -1.733 0.421) 2.315 22.895 ( 0.307 1.124 -0.887) 1.464 22.959 ( 0.717 -0.150 0.567) 0.926 22.995 ( -0.078 -0.042 -0.572) 0.578 23.011 ( 0.221 1.149 0.719) 1.373 23.472 ( 0.541 0.757 -0.525) 1.068 23.497 ( 0.084 0.482 0.211) 0.533 23.529 ( 1.099 1.251 -1.693) 2.375 23.676 ( 1.427 0.359 0.555) 1.573 24.712 ( 0.963 0.998 1.169) 1.814 24.810 ( -0.627 -0.615 0.172) 0.895 26.485 ( 0.257 0.746 -0.135) 0.801 26.496 ( 0.252 0.657 0.230) 0.740 27.588 ( 0.373 1.233 -0.768) 1.500 27.610 ( 1.188 1.168 0.647) 1.787 27.680 ( 1.440 1.147 -0.649) 1.952 27.723 ( 1.667 0.787 0.740) 1.987 49.765 ( -7.917 5.397 1.972) 9.783 50.145 ( 6.979 -3.473 -5.627) 9.614 50.301 ( -4.356 -5.719 -12.409) 14.341 50.952 ( 0.033 1.056 0.883) 1.377 51.380 ( 0.824 2.228 2.893) 3.743 52.177 ( -2.440 -7.298 5.282) 9.333 60.532 ( 1.594 -3.777 0.088) 4.100 60.705 ( 0.044 1.965 1.606) 2.538 60.799 ( -3.892 -0.046 -0.303) 3.904 60.955 ( 0.532 -1.284 -0.322) 1.427 61.014 ( 1.268 2.137 -0.566) 2.548 61.108 ( -1.167 -0.741 0.152) 1.391 ======================= Grid point 149 (32/84) ======================= q-point: ( 0.45 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.938 3.618 0.129) 3.740 1.432 ( 3.078 4.769 -9.135) 10.754 1.627 ( -2.853 -4.536 -0.218) 5.364 1.811 ( -4.488 4.369 1.365) 6.410 1.911 ( 0.093 2.613 3.634) 4.476 1.973 ( -6.559 6.809 3.587) 10.112 2.165 ( 1.311 1.354 -8.257) 8.470 2.603 ( -0.269 -0.782 3.511) 3.607 2.772 ( 2.349 -1.817 -2.781) 4.069 3.116 ( -4.820 -5.148 -1.253) 7.163 3.342 ( 7.394 -1.693 2.306) 7.928 3.546 ( -1.357 3.924 0.569) 4.191 3.767 ( -1.866 2.096 -0.524) 2.855 3.900 ( 6.497 2.192 -3.770) 7.824 4.123 ( -3.642 -6.701 6.260) 9.867 11.662 ( -0.656 1.240 -2.022) 2.461 11.888 ( 0.643 -0.339 -1.349) 1.532 11.953 ( 0.554 -1.309 1.706) 2.221 12.026 ( -0.784 0.847 2.363) 2.630 15.966 ( -0.761 1.347 0.218) 1.563 16.143 ( 0.365 -0.675 -0.246) 0.806 20.821 ( -0.132 0.225 -0.175) 0.314 20.918 ( 0.370 -0.680 0.348) 0.849 22.906 ( -0.133 0.767 -0.926) 1.210 22.961 ( -0.157 -0.453 0.786) 0.921 22.990 ( -0.322 -0.043 -0.609) 0.690 23.022 ( -0.036 0.708 0.579) 0.916 23.474 ( -0.834 0.225 -0.786) 1.168 23.507 ( 0.379 0.649 0.594) 0.958 23.548 ( 0.114 0.249 -2.020) 2.039 23.689 ( 0.129 -0.545 0.725) 0.916 24.724 ( -0.491 0.277 0.921) 1.080 24.803 ( 0.409 -0.149 0.249) 0.501 26.491 ( -0.322 0.467 -0.144) 0.585 26.502 ( -0.188 0.401 0.228) 0.498 27.594 ( -0.677 0.617 -0.726) 1.169 27.630 ( -0.026 0.665 0.681) 0.952 27.699 ( 0.189 -0.091 -0.798) 0.825 27.740 ( 0.031 -0.328 0.816) 0.880 49.695 ( -5.953 4.977 0.312) 7.765 50.121 ( -5.980 -3.740 -9.502) 11.834 50.315 ( 11.391 -1.266 -7.166) 13.517 51.009 ( 1.809 4.983 2.216) 5.746 51.441 ( 6.689 -2.697 8.876) 11.437 52.056 ( -4.924 -4.561 -0.417) 6.725 60.521 ( 1.734 -4.262 -0.316) 4.612 60.704 ( -3.457 2.977 -0.306) 4.572 60.763 ( -0.157 0.723 0.218) 0.771 60.954 ( 0.738 -1.007 -0.111) 1.254 61.056 ( 0.750 1.383 0.071) 1.575 61.079 ( -0.675 -0.449 -0.162) 0.826 ======================= Grid point 151 (33/84) ======================= q-point: (-0.45 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -4.331 0.766 3.352) 5.530 1.425 ( -4.538 -4.387 -7.228) 9.596 1.599 ( 1.150 3.191 -4.092) 5.315 1.743 ( -7.620 3.368 3.069) 8.878 1.926 ( -0.753 1.761 3.334) 3.845 1.967 ( -2.387 7.557 1.264) 8.025 2.170 ( -1.541 -1.273 -8.312) 8.549 2.565 ( -1.669 -4.120 4.624) 6.414 2.813 ( 2.977 -0.057 -2.559) 3.926 2.961 ( -6.058 -4.460 -1.521) 7.675 3.361 ( -0.550 -5.468 1.951) 5.832 3.567 ( -1.158 4.129 0.931) 4.388 3.752 ( -1.644 1.300 -0.774) 2.235 4.037 ( 0.078 -3.431 7.756) 8.481 4.079 ( 9.972 3.396 -5.128) 11.716 11.666 ( -0.311 1.272 -2.045) 2.428 11.872 ( -1.051 -1.748 -1.126) 2.330 11.963 ( 1.136 -0.153 1.595) 1.965 12.018 ( -0.876 0.586 2.293) 2.523 15.963 ( -0.972 1.100 0.238) 1.487 16.122 ( -1.520 -1.513 -0.236) 2.158 20.817 ( -0.300 0.003 -0.319) 0.438 20.941 ( 2.234 0.417 0.414) 2.310 22.906 ( -0.655 0.535 -0.884) 1.223 22.946 ( -0.709 -1.004 0.391) 1.290 22.982 ( -0.883 0.384 -0.283) 1.003 23.024 ( -0.249 0.123 0.528) 0.597 23.455 ( -1.336 -0.064 -0.640) 1.483 23.515 ( -0.054 0.266 0.467) 0.540 23.538 ( -1.162 -0.421 -1.753) 2.145 23.670 ( -1.327 -1.096 0.612) 1.827 24.705 ( -1.477 -0.264 0.826) 1.713 24.817 ( 0.979 0.167 0.484) 1.105 26.484 ( -0.835 0.151 -0.140) 0.860 26.497 ( -0.647 0.110 0.226) 0.695 27.578 ( -1.642 0.072 -0.660) 1.771 27.621 ( -1.217 -0.178 0.570) 1.356 27.685 ( -1.404 -0.665 -0.695) 1.702 27.718 ( -1.801 -1.105 0.770) 2.249 49.669 ( -3.704 6.404 -1.668) 7.584 50.004 ( -4.697 -0.385 -6.209) 7.795 50.535 ( 17.805 -6.047 -9.822) 21.214 51.089 ( 1.773 6.003 3.270) 7.062 51.550 ( 8.621 -2.478 14.061) 16.678 51.926 ( -6.687 -1.560 -5.011) 8.500 60.512 ( 1.924 -3.591 -0.500) 4.105 60.667 ( -3.514 2.423 0.106) 4.270 60.788 ( 0.979 2.140 -0.312) 2.374 60.960 ( 0.999 -0.661 -0.100) 1.202 61.030 ( -2.208 -0.461 -0.049) 2.256 61.109 ( 1.711 0.782 0.142) 1.886 ======================= Grid point 152 (34/84) ======================= q-point: (-0.36 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -9.513 -7.370 7.075) 13.960 1.294 ( -9.217 -0.018 -4.224) 10.139 1.605 ( -5.949 1.974 -7.098) 9.470 1.675 ( -3.999 4.517 3.717) 7.086 1.919 ( -2.339 2.067 0.619) 3.182 2.002 ( -0.865 1.744 -4.023) 4.469 2.097 ( -3.208 -2.398 -3.314) 5.198 2.436 ( -6.803 -7.086 6.700) 11.890 2.847 ( 0.803 -0.482 -2.401) 2.578 2.902 ( 2.032 -0.112 -1.535) 2.549 3.269 ( -2.769 -3.613 0.668) 4.601 3.589 ( -0.239 2.849 0.484) 2.900 3.741 ( -1.016 0.926 -0.885) 1.635 4.005 ( -0.021 -3.511 8.959) 9.623 4.302 ( 10.635 4.527 -6.126) 13.081 11.675 ( 0.013 1.026 -2.146) 2.379 11.828 ( -1.812 -1.931 -1.229) 2.919 11.980 ( 0.444 0.666 2.008) 2.162 12.010 ( -0.416 -0.119 2.118) 2.162 15.955 ( -1.025 0.740 0.285) 1.296 16.066 ( -3.064 -1.732 -0.194) 3.525 20.815 ( 0.150 0.075 -0.617) 0.640 20.993 ( 3.036 0.772 0.541) 3.179 22.895 ( -1.169 0.344 -0.561) 1.341 22.920 ( -0.910 -1.339 -0.291) 1.645 22.968 ( -1.537 0.783 -0.117) 1.729 23.014 ( -0.782 -0.490 0.546) 1.072 23.432 ( -1.317 -0.030 -0.482) 1.403 23.499 ( -1.743 -0.933 -1.066) 2.247 23.514 ( -0.837 -0.107 0.347) 0.912 23.627 ( -2.403 -0.994 0.158) 2.605 24.677 ( -1.432 -0.265 1.334) 1.975 24.835 ( 0.946 0.144 0.570) 1.114 26.467 ( -1.192 -0.096 -0.134) 1.203 26.483 ( -1.018 -0.138 0.236) 1.054 27.544 ( -2.154 -0.118 -0.566) 2.230 27.589 ( -1.902 -0.974 0.295) 2.157 27.642 ( -2.786 -0.506 -0.327) 2.850 27.662 ( -3.245 -1.377 0.596) 3.575 49.689 ( -2.728 8.323 -3.386) 9.390 49.971 ( 0.663 1.075 -4.174) 4.361 50.743 ( 17.171 -14.725 -8.517) 24.171 51.219 ( 7.497 5.601 -1.412) 9.464 51.610 ( -0.613 -4.538 4.994) 6.776 51.862 ( -0.842 7.680 6.278) 9.955 60.517 ( 1.914 -2.158 -0.154) 2.889 60.637 ( -2.688 2.118 1.090) 3.591 60.834 ( 1.688 2.618 -0.402) 3.141 60.972 ( 0.891 -0.366 -0.155) 0.976 60.988 ( -2.161 -0.438 -0.433) 2.247 61.131 ( 0.316 -0.067 0.362) 0.485 ======================= Grid point 153 (35/84) ======================= q-point: (-0.27 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -11.081 -8.599 9.667) 17.035 1.072 ( -14.886 -4.756 -1.277) 15.680 1.516 ( -7.729 4.542 -9.420) 13.004 1.571 ( -14.498 4.130 6.491) 16.413 1.870 ( -4.614 -3.977 -2.651) 6.643 1.929 ( -4.975 -1.403 -5.043) 7.222 2.088 ( 2.850 0.226 0.760) 2.959 2.269 ( -4.941 -4.253 8.276) 10.536 2.858 ( 0.864 -0.197 -2.676) 2.819 2.937 ( 1.766 -0.661 -6.465) 6.735 3.270 ( 4.744 1.292 3.902) 6.277 3.613 ( 0.812 0.994 0.334) 1.326 3.735 ( -0.626 0.710 -0.944) 1.336 3.956 ( -1.625 -4.025 8.255) 9.326 4.503 ( 7.781 4.194 -6.760) 11.128 11.685 ( 0.254 0.466 -2.289) 2.350 11.779 ( -2.139 -1.133 -1.620) 2.913 11.989 ( -0.200 0.792 2.611) 2.736 12.003 ( 0.028 -0.501 2.082) 2.142 15.944 ( -0.906 0.335 0.358) 1.030 15.993 ( -3.782 -1.188 -0.142) 3.966 20.823 ( 0.549 0.132 -0.908) 1.069 21.052 ( 3.062 0.567 0.658) 3.183 22.871 ( -1.493 -0.717 0.059) 1.657 22.896 ( -0.847 -0.365 -1.140) 1.466 22.947 ( -2.009 1.122 -0.241) 2.313 22.986 ( -1.691 -0.922 0.479) 1.984 23.413 ( -1.060 0.218 -0.257) 1.113 23.458 ( -1.948 -0.753 -0.382) 2.123 23.497 ( -0.798 -0.722 0.326) 1.124 23.576 ( -2.815 -0.268 -0.512) 2.874 24.658 ( -0.476 -0.003 2.727) 2.768 24.851 ( 0.871 0.066 0.616) 1.069 26.444 ( -1.319 -0.152 -0.120) 1.333 26.462 ( -1.178 -0.211 0.251) 1.223 27.508 ( -2.108 0.145 -0.462) 2.163 27.544 ( -2.003 -1.249 -0.062) 2.362 27.586 ( -3.360 -0.749 0.559) 3.488 27.590 ( -3.772 -0.381 -0.039) 3.791 49.730 ( -1.694 7.715 -4.940) 9.316 50.049 ( 5.503 3.618 -2.717) 7.125 50.807 ( 11.129 -20.629 -7.368) 24.570 51.287 ( -6.298 -5.593 -12.467) 15.046 51.624 ( 13.254 0.453 0.225) 13.263 52.014 ( 2.782 15.335 19.376) 24.866 60.531 ( 1.278 -0.644 0.301) 1.462 60.618 ( -2.038 2.141 1.880) 3.504 60.892 ( 2.080 2.117 0.276) 2.981 60.948 ( -1.582 -0.065 -0.729) 1.743 60.987 ( 0.887 -0.197 -0.312) 0.961 61.115 ( -1.797 -0.477 0.421) 1.907 ======================= Grid point 158 (36/84) ======================= q-point: ( 0.18 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 2.842 12.062 6.949) 14.208 1.253 ( 1.826 12.393 -5.759) 13.787 1.678 ( 6.254 1.237 -7.003) 9.470 1.771 ( 5.667 1.743 5.953) 8.402 1.922 ( 0.089 3.546 -6.372) 7.293 1.998 ( 1.948 5.353 -4.925) 7.531 2.072 ( -0.222 5.553 2.678) 6.169 2.361 ( 5.041 4.159 8.954) 11.085 2.840 ( -0.947 -1.019 -2.759) 3.090 2.901 ( -0.094 -1.058 -3.151) 3.325 3.230 ( -0.801 -0.492 0.671) 1.155 3.615 ( -0.276 0.943 0.178) 0.999 3.761 ( 1.522 0.664 -1.380) 2.159 3.918 ( -4.600 2.071 6.636) 8.336 4.387 ( -1.783 -11.254 -2.868) 11.750 11.688 ( 0.071 0.314 -2.307) 2.329 11.803 ( 0.632 1.491 -1.166) 1.995 11.989 ( -0.546 -0.855 1.348) 1.687 12.009 ( 0.825 0.787 2.872) 3.089 15.966 ( 0.636 1.252 0.243) 1.425 16.047 ( 1.623 2.646 -0.135) 3.108 20.816 ( -0.093 -0.205 -0.644) 0.682 21.000 ( -1.627 -2.828 0.558) 3.310 22.889 ( -0.028 1.923 -0.385) 1.962 22.916 ( 1.369 0.313 -0.756) 1.595 22.984 ( 1.270 0.604 0.351) 1.450 23.001 ( -0.023 1.437 0.353) 1.480 23.437 ( 1.153 0.903 -0.301) 1.496 23.485 ( 0.479 1.869 -1.130) 2.236 23.508 ( 0.191 1.363 0.199) 1.391 23.620 ( 1.439 1.812 0.157) 2.319 24.676 ( 0.872 1.215 1.581) 2.176 24.835 ( -0.643 -0.807 0.476) 1.136 26.467 ( 0.730 1.157 -0.109) 1.373 26.481 ( 0.551 1.041 0.223) 1.199 27.550 ( 1.776 1.715 -0.209) 2.477 27.571 ( 0.503 2.283 -0.385) 2.370 27.634 ( 1.042 2.952 0.312) 3.146 27.651 ( 2.103 2.492 0.267) 3.272 49.876 ( 9.237 1.512 -2.964) 9.818 50.006 ( 1.226 -4.665 -4.501) 6.598 50.444 ( -16.634 -3.740 -7.341) 18.563 51.188 ( -10.253 -3.820 -1.842) 11.096 51.499 ( -5.180 3.623 -0.009) 6.321 52.086 ( 8.222 -10.556 8.978) 16.113 60.504 ( -0.315 -2.170 0.217) 2.203 60.667 ( 1.871 1.170 2.469) 3.312 60.879 ( 0.433 -2.312 -0.113) 2.355 60.961 ( -1.356 -0.298 -0.809) 1.607 60.983 ( 1.056 1.543 -0.493) 1.934 61.127 ( -0.135 0.150 0.303) 0.364 ======================= Grid point 159 (37/84) ======================= q-point: ( 0.27 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 3.805 8.472 3.716) 10.004 1.370 ( 0.968 7.446 -6.794) 10.126 1.706 ( -1.069 -2.901 -2.725) 4.122 1.860 ( 3.369 2.497 5.143) 6.636 1.946 ( -2.273 6.807 -3.405) 7.943 2.053 ( 0.891 3.020 -5.721) 6.531 2.198 ( 0.753 11.045 -1.546) 11.178 2.470 ( 6.759 -1.475 7.404) 10.133 2.787 ( -2.722 -2.879 -4.652) 6.111 2.974 ( 8.081 1.374 2.014) 8.440 3.212 ( -0.839 -1.380 -0.934) 1.866 3.617 ( -1.743 2.919 0.215) 3.406 3.795 ( 1.538 0.850 -1.450) 2.278 3.859 ( -4.242 2.049 3.642) 5.954 4.235 ( -2.509 -11.883 0.945) 12.182 11.692 ( -0.574 1.236 -2.280) 2.656 11.832 ( 1.595 0.581 -0.912) 1.927 11.965 ( -0.856 -1.475 0.954) 1.954 12.031 ( 0.571 0.989 2.948) 3.161 15.987 ( -0.054 1.974 0.164) 1.982 16.094 ( 1.836 0.826 -0.150) 2.019 20.817 ( 0.155 0.286 -0.343) 0.473 20.947 ( -1.571 -2.448 0.439) 2.941 22.906 ( -0.001 1.593 -0.635) 1.715 22.941 ( 1.252 0.065 -0.195) 1.269 22.995 ( 0.005 -0.079 -0.259) 0.271 23.019 ( 0.342 1.331 0.852) 1.617 23.466 ( 1.125 1.065 -0.385) 1.596 23.504 ( 0.027 1.023 -0.727) 1.255 23.529 ( 0.581 1.444 -0.919) 1.807 23.656 ( 1.316 0.705 0.671) 1.637 24.706 ( 1.098 1.382 1.045) 2.052 24.815 ( -0.749 -0.852 0.342) 1.184 26.488 ( 0.500 1.030 -0.090) 1.148 26.499 ( 0.368 0.875 0.191) 0.968 27.595 ( 1.115 1.826 -0.213) 2.151 27.602 ( 0.972 1.768 -0.250) 2.033 27.673 ( 0.851 1.602 -0.185) 1.823 27.703 ( 1.712 1.225 0.617) 2.193 49.986 ( -0.276 2.230 -4.006) 4.593 50.001 ( -2.407 1.218 -4.540) 5.281 50.246 ( 1.907 -5.564 -7.787) 9.759 50.996 ( -6.637 -2.112 3.682) 7.878 51.436 ( -5.066 -0.356 4.812) 6.996 52.093 ( 3.388 -7.331 1.131) 8.155 60.479 ( 0.410 -3.071 -0.032) 3.098 60.708 ( 1.387 1.872 1.716) 2.894 60.853 ( -1.929 -0.670 -0.387) 2.079 60.934 ( -0.329 -1.676 -0.729) 1.857 61.018 ( 0.844 2.163 -0.457) 2.367 61.117 ( -0.693 -0.659 0.332) 1.012 ======================= Grid point 160 (38/84) ======================= q-point: ( 0.36 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 2.418 4.234 2.475) 5.467 1.446 ( 1.529 4.137 -6.829) 8.129 1.634 ( -2.465 -3.883 -2.256) 5.122 1.930 ( 0.680 4.666 4.000) 6.183 1.956 ( -5.026 6.596 -0.542) 8.310 2.107 ( 1.143 3.898 -4.024) 5.718 2.236 ( -6.262 9.049 -0.939) 11.044 2.585 ( 4.856 1.402 2.521) 5.648 2.711 ( -0.697 -4.723 -4.485) 6.550 3.108 ( 2.438 -3.074 2.598) 4.706 3.188 ( 4.935 -3.095 -0.467) 5.844 3.619 ( -1.931 4.432 0.381) 4.850 3.816 ( -0.510 0.653 0.606) 1.027 3.844 ( 0.917 2.333 -1.390) 2.866 4.088 ( -1.891 -9.817 4.053) 10.788 11.693 ( -0.987 1.765 -2.225) 3.007 11.865 ( 1.703 0.108 -0.933) 1.945 11.935 ( -0.439 -1.987 0.786) 2.182 12.044 ( -0.197 0.948 3.060) 3.209 16.000 ( -0.907 2.289 0.134) 2.465 16.121 ( 1.279 -0.760 -0.175) 1.498 20.825 ( 0.110 0.663 -0.117) 0.682 20.907 ( -0.468 -1.786 0.326) 1.875 22.919 ( -0.170 1.194 -0.701) 1.395 22.956 ( 0.440 -0.214 0.399) 0.631 22.992 ( -0.103 -0.195 -0.926) 0.951 23.033 ( -0.110 0.976 1.060) 1.445 23.489 ( -0.022 0.975 -0.737) 1.223 23.509 ( 0.002 0.731 0.003) 0.731 23.548 ( 0.321 0.595 -1.776) 1.901 23.676 ( 0.737 -0.326 0.985) 1.273 24.733 ( 0.318 1.095 0.854) 1.425 24.797 ( -0.221 -0.770 0.266) 0.844 26.501 ( -0.075 0.809 -0.082) 0.817 26.509 ( -0.019 0.621 0.176) 0.645 27.615 ( -0.477 1.539 -0.642) 1.735 27.635 ( 0.696 1.325 0.453) 1.563 27.692 ( 0.435 0.062 -0.699) 0.826 27.730 ( 0.810 -0.031 0.848) 1.173 49.879 ( -9.391 4.049 -5.231) 11.487 50.045 ( 7.049 -4.526 -9.673) 12.796 50.280 ( -2.169 3.879 -2.915) 5.315 50.981 ( 4.947 2.050 7.010) 8.821 51.331 ( -1.146 -8.581 8.908) 12.422 52.065 ( -0.715 -3.081 -3.719) 4.882 60.460 ( 0.964 -3.164 -0.456) 3.339 60.750 ( 0.961 2.655 0.411) 2.853 60.803 ( -3.512 0.297 -0.367) 3.543 60.922 ( 1.054 -2.096 -0.431) 2.386 61.054 ( 1.072 1.859 -0.158) 2.152 61.094 ( -1.269 -0.661 0.279) 1.458 ======================= Grid point 161 (39/84) ======================= q-point: (-0.55 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.414 0.602 4.698) 4.754 1.453 ( -3.014 -1.577 -6.548) 7.379 1.609 ( 1.983 1.756 -5.240) 5.871 1.900 ( -6.781 3.057 2.781) 7.941 1.968 ( -2.259 5.655 2.275) 6.501 2.140 ( -2.209 3.526 -4.359) 6.026 2.214 ( -6.090 8.127 -0.804) 10.188 2.560 ( -3.395 -4.189 0.463) 5.412 2.742 ( 5.023 -0.978 -2.724) 5.797 3.015 ( -5.064 -4.227 -0.202) 6.600 3.265 ( 5.187 -5.387 2.025) 7.748 3.636 ( -1.707 4.293 1.171) 4.766 3.801 ( -2.173 1.050 -0.534) 2.472 3.939 ( 8.077 1.910 -2.316) 8.617 3.997 ( 0.211 -5.492 5.503) 7.778 11.693 ( -0.989 1.722 -2.217) 2.976 11.869 ( -0.657 -1.457 -0.870) 1.820 11.933 ( 1.825 -0.595 0.711) 2.047 12.042 ( -0.932 0.678 3.067) 3.276 16.000 ( -1.508 1.932 0.139) 2.455 16.120 ( -0.007 -1.489 -0.183) 1.500 20.825 ( -0.634 0.238 -0.120) 0.687 20.906 ( 1.764 -0.487 0.322) 1.858 22.923 ( -0.498 0.959 -0.712) 1.295 22.949 ( -0.609 -0.713 0.288) 0.981 22.991 ( 0.047 0.069 -0.774) 0.778 23.034 ( -0.568 0.521 1.009) 1.270 23.481 ( -1.413 0.441 -0.736) 1.653 23.519 ( 0.059 0.516 0.152) 0.541 23.549 ( -0.483 -0.070 -1.922) 1.983 23.674 ( -0.283 -0.805 1.019) 1.329 24.729 ( -1.352 0.276 0.703) 1.548 24.800 ( 1.015 -0.197 0.409) 1.112 26.501 ( -0.713 0.467 -0.083) 0.856 26.509 ( -0.486 0.330 0.175) 0.613 27.610 ( -1.546 0.923 -0.573) 1.890 27.642 ( -0.993 0.392 0.431) 1.151 27.692 ( -0.134 -0.423 -0.749) 0.870 27.729 ( -0.552 -0.713 0.854) 1.241 49.805 ( -4.412 5.237 -7.469) 10.133 50.108 ( -0.843 2.099 -4.286) 4.846 50.258 ( 2.810 -3.173 -6.825) 8.033 51.091 ( 1.645 0.708 7.924) 8.124 51.322 ( 12.310 -6.718 12.238) 18.612 52.009 ( -3.869 -0.151 -6.789) 7.815 60.453 ( 1.519 -2.374 -0.672) 2.897 60.743 ( -3.598 0.922 0.089) 3.715 60.797 ( 0.911 2.642 -0.429) 2.827 60.927 ( 1.651 -1.707 -0.301) 2.394 61.062 ( -1.884 -0.315 0.084) 1.912 61.090 ( 1.423 1.014 0.159) 1.755 ======================= Grid point 162 (40/84) ======================= q-point: (-0.45 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -8.561 -4.448 5.921) 11.319 1.401 ( -3.698 -0.237 -6.876) 7.811 1.673 ( 1.091 3.143 -6.050) 6.904 1.811 ( -6.412 3.249 5.312) 8.938 1.965 ( -2.741 2.498 -0.892) 3.814 2.095 ( -4.005 -1.712 -7.038) 8.277 2.171 ( -7.932 6.558 0.368) 10.298 2.456 ( -3.034 -5.577 5.333) 8.292 2.806 ( 3.459 -0.737 -3.621) 5.062 2.913 ( -3.584 -0.009 0.094) 3.585 3.255 ( 0.247 -4.432 0.718) 4.496 3.633 ( -1.874 1.675 0.732) 2.617 3.776 ( -1.772 1.055 -0.968) 2.278 3.954 ( 0.885 -4.805 6.660) 8.260 4.153 ( 11.744 4.198 -2.886) 12.801 11.692 ( -0.731 1.033 -2.263) 2.593 11.836 ( -1.264 -1.479 -0.827) 2.114 11.964 ( 1.772 0.134 0.822) 1.958 12.028 ( -1.289 0.323 2.983) 3.266 15.987 ( -1.652 0.998 0.181) 1.939 16.093 ( -1.667 -1.131 -0.170) 2.022 20.817 ( -0.340 0.022 -0.351) 0.489 20.946 ( 2.907 0.155 0.437) 2.943 22.920 ( -1.110 0.698 -0.455) 1.388 22.926 ( -0.942 -0.809 -0.430) 1.314 22.991 ( -0.398 0.396 -0.143) 0.580 23.024 ( -0.914 -0.101 0.755) 1.190 23.458 ( -1.593 0.337 -0.555) 1.720 23.514 ( -0.864 -0.438 -0.517) 1.098 23.533 ( -1.253 -0.107 -0.927) 1.563 23.653 ( -1.417 -0.479 0.707) 1.655 24.703 ( -1.760 0.041 0.895) 1.975 24.818 ( 1.129 -0.072 0.477) 1.228 26.487 ( -1.161 0.153 -0.096) 1.175 26.499 ( -0.927 0.060 0.193) 0.948 27.584 ( -2.234 0.564 -0.396) 2.338 27.614 ( -1.953 -0.648 -0.053) 2.058 27.677 ( -1.532 -0.152 -0.197) 1.552 27.699 ( -2.155 -0.603 0.623) 2.323 49.831 ( -1.291 9.130 -7.871) 12.124 50.038 ( -8.069 3.667 -0.014) 8.863 50.347 ( 13.798 -11.884 -9.645) 20.607 51.105 ( 5.231 -4.513 5.638) 8.918 51.503 ( 8.967 -2.347 11.168) 14.513 51.962 ( -2.486 5.358 -5.179) 7.856 60.468 ( 2.092 -0.840 -0.351) 2.281 60.698 ( -2.819 0.880 1.238) 3.202 60.837 ( 1.001 2.386 -0.773) 2.700 60.943 ( 1.768 -1.022 -0.407) 2.082 61.024 ( -2.306 -0.248 -0.285) 2.337 61.118 ( 1.116 0.194 0.347) 1.185 ======================= Grid point 170 (41/84) ======================= q-point: ( 0.27 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.432 4.715 5.390) 7.174 1.447 ( 1.810 2.251 -6.950) 7.526 1.632 ( -2.015 -4.401 -3.532) 5.992 1.933 ( 3.583 4.513 3.794) 6.900 2.077 ( 4.550 0.503 -3.348) 5.671 2.101 ( -2.437 6.434 -3.163) 7.573 2.411 ( 6.239 8.666 -2.333) 10.930 2.453 ( 2.122 1.501 3.602) 4.442 2.723 ( -3.819 -3.737 -4.312) 6.866 3.001 ( 5.074 1.643 2.022) 5.704 3.175 ( -4.717 -2.537 0.651) 5.395 3.673 ( 0.404 2.500 0.613) 2.605 3.809 ( 0.750 0.915 0.069) 1.185 3.897 ( -3.525 1.294 2.785) 4.675 4.010 ( -1.022 -10.094 0.919) 10.187 11.714 ( 0.534 0.932 -2.458) 2.682 11.848 ( 0.510 1.194 -0.508) 1.394 11.929 ( -1.104 -2.103 0.336) 2.398 12.050 ( 0.528 0.793 3.315) 3.449 16.025 ( 1.028 1.800 0.078) 2.075 16.100 ( -0.063 -0.133 -0.126) 0.194 20.828 ( 0.480 0.834 -0.098) 0.967 20.901 ( -1.209 -2.112 0.316) 2.454 22.934 ( -0.204 1.084 -0.325) 1.150 22.942 ( 0.962 0.091 -0.177) 0.983 22.992 ( -0.146 -0.247 -0.871) 0.917 23.039 ( 0.368 0.717 1.190) 1.437 23.489 ( 1.098 1.193 -0.624) 1.738 23.520 ( -0.231 0.540 -0.445) 0.737 23.548 ( 0.306 0.528 -1.637) 1.747 23.666 ( 0.254 0.286 1.193) 1.253 24.734 ( 0.959 1.404 0.686) 1.834 24.796 ( -0.741 -1.032 0.410) 1.334 26.506 ( 0.448 0.729 -0.038) 0.857 26.513 ( 0.271 0.512 0.137) 0.595 27.627 ( 1.622 1.390 -0.173) 2.143 27.637 ( 0.079 1.741 -0.296) 1.768 27.689 ( 0.032 -0.009 -0.438) 0.440 27.720 ( 0.401 0.582 0.863) 1.115 49.900 ( 4.637 -2.697 -11.693) 12.865 50.065 ( -10.401 -3.640 -10.620) 15.304 50.289 ( 10.353 10.071 4.130) 15.022 50.990 ( -5.803 1.976 8.704) 10.646 51.292 ( -6.017 -13.318 11.390) 18.529 52.032 ( 2.437 0.309 -7.215) 7.622 60.433 ( -0.614 -1.584 -0.669) 1.826 60.752 ( 1.712 2.646 0.519) 3.194 60.839 ( 0.128 -1.043 -0.789) 1.314 60.897 ( -1.609 -1.819 -0.383) 2.459 61.057 ( 0.693 1.673 -0.084) 1.813 61.101 ( -0.429 -0.926 0.392) 1.093 ======================= Grid point 171 (42/84) ======================= q-point: ( 0.36 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.228 0.831 5.293) 5.362 1.495 ( -1.352 1.894 -5.549) 6.017 1.568 ( 1.419 -2.674 -4.428) 5.363 2.001 ( -2.102 2.959 1.864) 4.080 2.056 ( -0.657 1.032 -1.614) 2.025 2.170 ( -1.101 3.262 -1.350) 3.698 2.439 ( -5.855 10.321 -0.228) 11.869 2.600 ( -5.285 -5.841 -3.567) 8.647 2.624 ( 7.849 0.802 -2.056) 8.153 3.050 ( -2.469 -1.391 1.536) 3.224 3.118 ( 5.121 -3.719 1.528) 6.510 3.697 ( -1.044 2.644 0.495) 2.885 3.824 ( 0.114 0.618 1.216) 1.368 3.866 ( 1.268 -1.013 0.969) 1.890 3.942 ( 0.467 -3.500 2.127) 4.123 11.724 ( -0.621 1.074 -2.547) 2.833 11.869 ( -0.065 0.339 -0.425) 0.548 11.898 ( 0.749 -1.490 0.216) 1.682 12.058 ( -0.255 0.411 3.431) 3.465 16.046 ( -1.297 2.253 0.027) 2.599 16.096 ( 0.961 -1.673 -0.097) 1.932 20.842 ( -0.557 0.971 0.049) 1.121 20.875 ( 0.793 -1.383 0.219) 1.610 22.939 ( -0.278 0.821 -0.291) 0.914 22.950 ( -0.011 -0.379 0.178) 0.419 22.988 ( 0.090 -0.126 -1.364) 1.372 23.046 ( -0.210 0.378 1.321) 1.389 23.507 ( -0.763 0.756 -0.726) 1.296 23.520 ( 0.278 0.186 -0.341) 0.478 23.553 ( -0.042 0.031 -1.943) 1.944 23.669 ( 0.139 -0.282 1.417) 1.451 24.753 ( -0.663 0.985 0.590) 1.326 24.780 ( 0.588 -0.857 0.420) 1.122 26.514 ( -0.261 0.428 -0.002) 0.501 26.517 ( -0.093 0.183 0.101) 0.229 27.644 ( -1.094 1.342 -0.384) 1.773 27.657 ( 0.073 0.645 0.238) 0.691 27.683 ( 0.310 -0.735 -0.917) 1.215 27.726 ( 0.142 -0.264 1.011) 1.055 49.904 ( -3.867 0.864 -12.132) 12.763 49.983 ( 5.455 -2.917 -11.476) 13.037 50.439 ( -7.299 9.531 4.968) 12.992 51.028 ( 9.348 2.634 10.553) 14.342 51.089 ( -1.314 -13.009 10.892) 17.017 52.049 ( -0.730 0.397 -7.718) 7.763 60.419 ( 0.524 -1.049 -0.895) 1.475 60.803 ( -0.233 1.792 -0.586) 1.900 60.809 ( -1.700 1.003 -0.213) 1.985 60.876 ( 1.649 -2.455 -0.207) 2.965 61.079 ( 0.153 0.452 0.121) 0.493 61.085 ( -0.372 0.002 0.321) 0.491 ======================= Grid point 266 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.000 0.000 16.024) 16.024 0.668 ( 0.000 0.000 16.024) 16.024 1.158 ( 0.000 0.000 27.479) 27.479 1.212 ( 0.000 -0.000 -11.848) 11.848 1.212 ( 0.000 0.000 -11.848) 11.848 1.923 ( 0.000 -0.000 2.416) 2.416 1.923 ( 0.000 0.000 2.416) 2.416 2.209 ( 0.000 0.000 -20.316) 20.316 3.049 ( 0.000 0.000 1.719) 1.719 3.315 ( 0.000 0.000 0.959) 0.959 3.667 ( 0.000 0.000 0.343) 0.343 3.667 ( 0.000 0.000 0.343) 0.343 3.727 ( 0.000 -0.000 -0.453) 0.453 3.727 ( 0.000 0.000 -0.453) 0.453 4.371 ( 0.000 0.000 0.962) 0.962 11.656 ( 0.000 -0.000 -1.832) 1.832 11.656 ( 0.000 0.000 -1.832) 1.832 12.046 ( -0.000 -0.000 2.233) 2.233 12.046 ( 0.000 0.000 2.233) 2.233 15.860 ( 0.000 0.000 -0.014) 0.014 15.932 ( -0.000 -0.000 0.463) 0.463 20.832 ( 0.000 0.000 -0.844) 0.844 21.160 ( 0.000 -0.000 0.577) 0.577 22.825 ( 0.000 -0.000 0.512) 0.512 22.825 ( 0.000 0.000 0.512) 0.512 22.875 ( 0.000 -0.000 -0.709) 0.709 22.875 ( -0.000 0.000 -0.709) 0.709 23.412 ( 0.000 -0.000 0.902) 0.902 23.412 ( 0.000 0.000 0.902) 0.902 23.458 ( 0.000 -0.000 -0.498) 0.498 23.458 ( 0.000 0.000 -0.498) 0.498 24.847 ( 0.000 0.000 -0.379) 0.379 24.917 ( 0.000 0.000 0.665) 0.665 26.400 ( 0.000 0.000 -0.030) 0.030 26.427 ( 0.000 0.000 0.221) 0.221 27.447 ( 0.000 0.000 -0.264) 0.264 27.447 ( -0.000 0.000 -0.264) 0.264 27.486 ( 0.000 0.000 0.257) 0.257 27.486 ( 0.000 0.000 0.257) 0.257 49.679 ( 0.000 -0.000 -6.311) 6.311 49.679 ( 0.000 0.000 -6.311) 6.311 51.220 ( 0.000 -0.000 5.076) 5.076 51.220 ( 0.000 0.000 5.076) 5.076 52.051 ( 0.000 0.000 -1.359) 1.359 52.380 ( 0.000 -0.000 0.957) 0.957 60.557 ( 0.000 0.000 0.592) 0.592 60.557 ( 0.000 0.000 0.592) 0.592 60.846 ( 0.000 -0.000 -0.992) 0.992 60.994 ( 0.000 -0.000 -0.620) 0.620 60.994 ( 0.000 0.000 -0.620) 0.620 61.019 ( 0.000 0.000 1.022) 1.022 ======================= Grid point 267 (44/84) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 2.724 1.573 14.158) 14.503 0.812 ( 4.858 2.805 17.623) 18.494 1.194 ( 3.550 2.050 -10.354) 11.136 1.333 ( 6.439 3.718 -9.917) 12.395 1.370 ( 16.808 9.704 17.867) 26.380 1.905 ( -0.939 -0.542 2.945) 3.138 2.031 ( 8.150 4.706 1.294) 9.500 2.192 ( -2.185 -1.261 -16.194) 16.389 2.976 ( -14.186 -8.190 -0.712) 16.396 3.023 ( -6.036 -3.485 3.495) 7.797 3.628 ( -7.110 -4.105 1.209) 8.298 3.648 ( -1.329 -0.768 0.359) 1.576 3.736 ( 0.371 0.214 -0.516) 0.671 3.873 ( 8.061 4.654 3.587) 9.976 4.440 ( 4.685 2.705 -4.997) 7.365 11.651 ( -0.329 -0.190 -1.763) 1.803 11.673 ( 1.448 0.836 -1.764) 2.430 12.045 ( -0.131 -0.076 2.183) 2.188 12.046 ( 0.046 0.026 2.147) 2.147 15.882 ( 1.870 1.080 -0.006) 2.159 15.936 ( 0.337 0.195 0.415) 0.569 20.824 ( -0.542 -0.313 -0.798) 1.014 21.145 ( -1.368 -0.790 0.572) 1.680 22.817 ( -0.017 -0.010 0.378) 0.378 22.853 ( 1.468 0.847 -0.553) 1.783 22.895 ( 1.161 0.670 -0.558) 1.452 22.896 ( 2.458 1.419 -0.227) 2.847 23.405 ( -0.014 -0.008 0.670) 0.670 23.423 ( 0.344 0.199 0.418) 0.577 23.455 ( 0.350 0.202 -0.057) 0.408 23.486 ( 1.907 1.101 -0.550) 2.269 24.800 ( -3.528 -2.037 1.172) 4.239 24.900 ( -1.024 -0.591 1.192) 1.679 26.407 ( 0.648 0.374 -0.042) 0.750 26.434 ( 0.585 0.338 0.221) 0.711 27.459 ( 0.839 0.484 -0.468) 1.076 27.463 ( 1.531 0.884 -0.140) 1.773 27.494 ( 0.886 0.511 0.466) 1.124 27.510 ( 1.929 1.113 0.126) 2.231 49.719 ( 1.611 0.930 -7.304) 7.537 49.776 ( 9.033 5.215 -8.033) 13.165 50.875 ( -22.782 -13.153 4.531) 26.694 51.160 ( -3.493 -2.016 6.113) 7.323 52.183 ( -15.702 -9.066 0.633) 18.142 52.309 ( 14.128 8.157 0.535) 16.322 60.556 ( -0.015 -0.009 0.595) 0.595 60.615 ( 4.196 2.423 0.873) 4.923 60.850 ( 0.401 0.232 -1.170) 1.258 60.994 ( -0.060 -0.034 -0.576) 0.580 61.002 ( 0.273 0.158 -1.029) 1.076 61.042 ( 1.987 1.147 0.752) 2.414 ======================= Grid point 268 (45/84) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 8.160 4.711 8.649) 12.790 0.912 ( 4.634 2.675 15.091) 16.012 1.340 ( 8.792 5.076 -12.231) 15.896 1.486 ( 6.925 3.998 -7.454) 10.931 1.777 ( 16.300 9.411 11.352) 21.980 1.883 ( -0.916 -0.529 3.220) 3.389 2.084 ( -6.892 -3.979 -6.446) 10.242 2.260 ( 12.238 7.066 2.665) 14.380 2.753 ( -2.875 -1.660 -4.580) 5.657 2.919 ( -5.123 -2.958 -0.166) 5.918 3.452 ( -7.961 -4.596 1.228) 9.274 3.611 ( -1.847 -1.066 0.357) 2.162 3.742 ( 0.131 0.076 -0.572) 0.591 3.963 ( 0.691 0.399 7.252) 7.295 4.515 ( 1.389 0.802 -7.374) 7.547 11.642 ( -0.505 -0.291 -1.667) 1.766 11.717 ( 2.341 1.352 -1.471) 3.078 12.040 ( -0.309 -0.179 2.123) 2.153 12.048 ( 0.118 0.068 1.819) 1.824 15.928 ( 1.349 0.779 0.296) 1.585 15.958 ( 2.304 1.330 0.006) 2.661 20.812 ( -0.484 -0.279 -0.783) 0.962 21.102 ( -2.384 -1.377 0.552) 2.808 22.825 ( 0.645 0.372 0.090) 0.750 22.891 ( 1.876 1.083 -0.946) 2.364 22.924 ( 1.303 0.752 -0.249) 1.525 22.958 ( 2.521 1.456 0.056) 2.912 23.412 ( 0.705 0.407 0.170) 0.832 23.428 ( 0.200 0.115 -0.376) 0.441 23.471 ( 0.947 0.547 0.662) 1.278 23.539 ( 2.759 1.593 -0.528) 3.229 24.731 ( -2.157 -1.245 2.196) 3.321 24.877 ( -1.071 -0.618 0.939) 1.552 26.427 ( 1.045 0.603 -0.074) 1.209 26.452 ( 0.912 0.527 0.224) 1.077 27.484 ( 1.388 0.802 -0.631) 1.723 27.512 ( 2.732 1.577 -0.113) 3.157 27.524 ( 1.668 0.963 0.635) 2.028 27.568 ( 3.114 1.798 0.112) 3.598 49.747 ( 0.891 0.515 -6.794) 6.871 50.010 ( 10.481 6.051 -8.687) 14.898 50.428 ( -15.823 -9.135 2.076) 18.388 51.072 ( -4.203 -2.427 5.920) 7.655 51.774 ( -18.372 -10.607 -0.160) 21.215 52.525 ( 4.684 2.704 2.835) 6.107 60.557 ( 0.198 0.114 0.457) 0.511 60.696 ( 2.492 1.438 1.915) 3.456 60.866 ( 1.013 0.585 -1.455) 1.867 60.986 ( -1.899 -1.097 -1.461) 2.635 60.990 ( -0.259 -0.150 -0.411) 0.509 61.094 ( 2.288 1.321 0.679) 2.728 ======================= Grid point 269 (46/84) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 8.421 4.862 4.107) 10.555 1.025 ( 5.371 3.101 8.455) 10.486 1.550 ( 9.044 5.222 -11.084) 15.229 1.632 ( 5.968 3.445 -4.989) 8.507 1.865 ( -0.700 -0.404 3.252) 3.351 1.919 ( -5.128 -2.961 -2.194) 6.315 2.037 ( 5.580 3.221 4.406) 7.805 2.561 ( 12.389 7.153 6.369) 15.660 2.800 ( -3.075 -1.775 -2.726) 4.476 2.819 ( 6.004 3.467 -4.384) 8.203 3.296 ( -5.437 -3.139 0.222) 6.282 3.569 ( -1.862 -1.075 0.382) 2.183 3.742 ( -0.098 -0.057 -0.660) 0.670 3.931 ( -3.009 -1.737 6.543) 7.408 4.502 ( -2.343 -1.352 -4.676) 5.402 11.630 ( -0.526 -0.304 -1.572) 1.685 11.773 ( 2.538 1.466 -1.086) 3.126 12.032 ( -0.419 -0.242 2.064) 2.120 12.051 ( 0.084 0.048 1.374) 1.377 15.944 ( 0.475 0.274 0.358) 0.656 16.029 ( 3.410 1.969 -0.191) 3.942 20.805 ( -0.156 -0.090 -0.657) 0.681 21.042 ( -2.806 -1.620 0.500) 3.278 22.844 ( 0.981 0.566 -0.181) 1.147 22.933 ( 1.792 1.035 -0.986) 2.292 22.951 ( 1.122 0.648 0.060) 1.296 22.999 ( 1.160 0.670 0.480) 1.423 23.435 ( 0.476 0.275 -0.669) 0.866 23.438 ( 1.518 0.877 -0.506) 1.825 23.492 ( 0.797 0.460 0.854) 1.255 23.604 ( 2.906 1.678 -0.305) 3.370 24.708 ( -0.014 -0.008 1.563) 1.563 24.852 ( -1.099 -0.634 0.688) 1.443 26.451 ( 1.049 0.605 -0.106) 1.215 26.473 ( 0.907 0.524 0.222) 1.071 27.519 ( 1.636 0.944 -0.698) 2.014 27.565 ( 1.918 1.107 0.701) 2.323 27.579 ( 3.079 1.778 -0.195) 3.561 27.643 ( 3.364 1.942 0.204) 3.890 49.756 ( -0.198 -0.114 -4.669) 4.675 50.164 ( -4.977 -2.873 0.608) 5.779 50.198 ( 1.905 1.100 -10.062) 10.300 50.983 ( -3.482 -2.010 4.275) 5.869 51.448 ( -9.040 -5.220 1.742) 10.583 52.534 ( -3.343 -1.930 2.773) 4.753 60.564 ( 0.394 0.228 0.257) 0.523 60.727 ( 0.406 0.235 1.580) 1.648 60.879 ( -1.360 -0.785 -1.998) 2.541 60.934 ( -0.957 -0.552 -0.510) 1.217 60.982 ( -0.438 -0.253 -0.205) 0.546 61.130 ( 0.710 0.410 0.713) 1.087 ======================= Grid point 270 (47/84) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 6.191 3.574 1.065) 7.228 1.143 ( 4.981 2.876 2.555) 6.294 1.699 ( 3.057 1.765 -6.340) 7.257 1.747 ( 4.197 2.423 -2.873) 5.634 1.848 ( -0.284 -0.164 -6.599) 6.607 1.850 ( -0.725 -0.418 3.138) 3.248 2.114 ( 1.989 1.149 5.807) 6.245 2.680 ( -2.034 -1.174 0.214) 2.358 2.760 ( 1.583 0.914 -0.463) 1.886 3.057 ( 11.627 6.713 -1.748) 13.539 3.233 ( -0.075 -0.044 1.422) 1.425 3.532 ( -1.326 -0.766 0.372) 1.576 3.738 ( -0.244 -0.141 -0.705) 0.760 3.856 ( -2.898 -1.673 3.751) 5.026 4.421 ( -4.634 -2.675 -1.159) 5.475 11.620 ( -0.380 -0.219 -1.504) 1.567 11.826 ( 2.070 1.195 -0.827) 2.529 12.023 ( -0.376 -0.217 2.018) 2.064 12.051 ( -0.105 -0.061 1.054) 1.061 15.953 ( 0.312 0.180 0.306) 0.473 16.098 ( 2.588 1.494 -0.255) 2.999 20.806 ( 0.237 0.137 -0.413) 0.495 20.981 ( -2.477 -1.430 0.417) 2.890 22.865 ( 0.864 0.499 -0.396) 1.073 22.967 ( 1.164 0.672 -0.907) 1.621 22.972 ( 0.697 0.402 0.336) 0.872 23.013 ( 0.240 0.138 0.628) 0.686 23.448 ( 0.622 0.359 -0.749) 1.038 23.475 ( 1.602 0.925 -1.108) 2.156 23.505 ( 0.395 0.228 0.823) 0.941 23.663 ( 2.199 1.269 -0.055) 2.540 24.722 ( 1.026 0.593 1.032) 1.571 24.828 ( -1.075 -0.621 0.496) 1.337 26.471 ( 0.722 0.417 -0.118) 0.842 26.490 ( 0.646 0.373 0.208) 0.774 27.553 ( 1.308 0.755 -0.667) 1.651 27.605 ( 1.570 0.906 0.657) 1.928 27.642 ( 2.424 1.399 -0.323) 2.817 27.711 ( 2.557 1.476 0.333) 2.972 49.738 ( -1.367 -0.789 -1.534) 2.200 50.081 ( -0.740 -0.427 -6.007) 6.068 50.177 ( -4.939 -2.851 -6.516) 8.659 50.925 ( -1.510 -0.872 1.627) 2.384 51.405 ( 4.417 2.550 6.137) 7.980 52.401 ( -7.984 -4.610 1.131) 9.289 60.574 ( 0.412 0.238 0.079) 0.482 60.717 ( -1.465 -0.846 -0.249) 1.710 60.805 ( -3.314 -1.913 -0.800) 3.909 60.964 ( 2.356 1.360 -0.108) 2.723 60.972 ( -0.425 -0.245 -0.039) 0.492 61.126 ( -0.973 -0.562 0.435) 1.205 ======================= Grid point 271 (48/84) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 3.087 1.782 -0.932) 3.684 1.241 ( 3.546 2.047 -2.374) 4.733 1.704 ( -1.057 -0.611 -0.780) 1.449 1.804 ( -0.371 -0.214 0.558) 0.703 1.842 ( 1.104 0.638 1.107) 1.689 1.872 ( 0.820 0.473 -9.053) 9.103 2.151 ( 1.376 0.795 6.843) 7.025 2.633 ( -1.364 -0.787 -3.455) 3.797 2.767 ( -0.332 -0.192 0.888) 0.967 3.192 ( -2.348 -1.356 0.000) 2.712 3.318 ( 8.231 4.752 0.645) 9.526 3.513 ( -0.335 -0.194 0.295) 0.487 3.732 ( -0.299 -0.173 -0.643) 0.730 3.835 ( 1.281 0.740 0.587) 1.591 4.311 ( -4.674 -2.699 2.332) 5.879 11.614 ( -0.108 -0.062 -1.486) 1.492 11.861 ( 1.004 0.579 -0.860) 1.443 12.016 ( -0.170 -0.098 2.004) 2.013 12.046 ( -0.284 -0.164 1.053) 1.103 15.958 ( 0.119 0.069 0.279) 0.311 16.138 ( 0.943 0.544 -0.290) 1.127 20.813 ( 0.276 0.159 -0.206) 0.379 20.939 ( -1.127 -0.651 0.340) 1.346 22.880 ( 0.422 0.244 -0.567) 0.748 22.981 ( 0.127 0.073 0.568) 0.587 22.982 ( 0.122 0.070 -0.559) 0.576 23.017 ( 0.235 0.136 0.354) 0.446 23.458 ( 0.127 0.073 -0.614) 0.631 23.502 ( 0.771 0.445 -1.514) 1.756 23.512 ( 0.275 0.159 0.608) 0.686 23.697 ( 0.788 0.455 0.125) 0.918 24.742 ( 0.475 0.275 1.079) 1.211 24.809 ( -0.395 -0.228 0.147) 0.479 26.482 ( 0.232 0.134 -0.105) 0.287 26.500 ( 0.245 0.142 0.184) 0.338 27.573 ( 0.411 0.237 -0.546) 0.723 27.632 ( 0.708 0.409 0.518) 0.968 27.682 ( 0.966 0.558 -0.441) 1.200 27.751 ( 0.903 0.521 0.453) 1.137 49.698 ( -2.086 -1.204 1.278) 2.726 50.029 ( -6.512 -3.760 -5.968) 9.600 50.134 ( 4.805 2.774 -8.766) 10.375 50.919 ( 0.918 0.530 -0.843) 1.354 51.577 ( 9.410 5.433 9.665) 14.543 52.198 ( -9.724 -5.614 -0.717) 11.252 60.581 ( 0.192 0.111 -0.026) 0.223 60.661 ( -2.800 -1.617 -1.139) 3.428 60.765 ( -0.564 -0.326 0.298) 0.716 60.965 ( -0.154 -0.089 0.035) 0.181 61.023 ( 2.723 1.572 0.107) 3.146 61.092 ( -1.845 -1.065 -0.082) 2.132 ======================= Grid point 272 (49/84) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.066 0.038 -2.196) 2.197 1.293 ( 0.756 0.436 -6.006) 6.069 1.678 ( -1.015 -0.586 2.048) 2.360 1.748 ( -4.045 -2.335 2.376) 5.241 1.871 ( -0.843 -0.487 -8.075) 8.133 1.877 ( 1.376 0.795 0.130) 1.594 2.170 ( 0.202 0.117 5.849) 5.854 2.616 ( -0.508 -0.294 -3.649) 3.696 2.779 ( 1.699 0.981 0.348) 1.993 3.064 ( -7.547 -4.357 2.999) 9.216 3.439 ( 0.690 0.398 -1.601) 1.788 3.518 ( 0.799 0.461 0.154) 0.935 3.725 ( -0.262 -0.151 -0.466) 0.556 3.906 ( 5.211 3.009 -3.319) 6.872 4.238 ( -1.516 -0.875 5.945) 6.197 11.615 ( 0.201 0.116 -1.527) 1.545 11.866 ( -0.607 -0.350 -1.083) 1.290 12.016 ( 0.109 0.063 2.033) 2.036 12.041 ( -0.126 -0.073 1.281) 1.289 15.958 ( -0.082 -0.047 0.268) 0.284 16.138 ( -0.992 -0.573 -0.275) 1.178 20.813 ( -0.300 -0.173 -0.204) 0.401 20.939 ( 1.110 0.641 0.352) 1.329 22.883 ( -0.114 -0.066 -0.723) 0.735 22.974 ( -0.730 -0.421 -0.221) 0.871 22.977 ( -0.478 -0.276 0.741) 0.924 23.024 ( 0.281 0.162 0.050) 0.328 23.451 ( -0.679 -0.392 -0.299) 0.839 23.506 ( -0.428 -0.247 -1.692) 1.763 23.519 ( 0.292 0.169 0.286) 0.442 23.696 ( -0.914 -0.528 0.240) 1.083 24.734 ( -1.005 -0.580 1.167) 1.646 24.816 ( 0.886 0.512 0.060) 1.025 26.481 ( -0.287 -0.166 -0.076) 0.340 26.501 ( -0.205 -0.118 0.161) 0.287 27.570 ( -0.681 -0.393 -0.399) 0.881 27.635 ( -0.411 -0.237 0.361) 0.596 27.683 ( -0.796 -0.460 -0.528) 1.061 27.749 ( -1.074 -0.620 0.541) 1.352 49.651 ( -1.996 -1.153 2.632) 3.499 49.913 ( -3.320 -1.917 -3.201) 4.995 50.298 ( 9.451 5.457 -13.597) 17.435 50.963 ( 2.898 1.673 -2.102) 3.952 51.757 ( 3.672 2.120 6.804) 8.017 52.007 ( -4.514 -2.606 3.008) 6.018 60.582 ( -0.122 -0.070 -0.048) 0.149 60.615 ( -1.140 -0.658 0.390) 1.373 60.767 ( 0.717 0.414 0.159) 0.843 60.966 ( 0.210 0.121 0.013) 0.243 61.041 ( -2.069 -1.195 -0.417) 2.425 61.088 ( 2.331 1.346 0.026) 2.692 ======================= Grid point 273 (50/84) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -2.232 -1.289 -2.886) 3.870 1.255 ( -4.303 -2.484 -5.001) 7.050 1.625 ( -6.955 -4.016 2.510) 8.415 1.679 ( 1.415 0.817 4.170) 4.479 1.824 ( -3.674 -2.121 -10.780) 11.585 1.901 ( 0.823 0.475 0.401) 1.032 2.159 ( -1.321 -0.763 4.280) 4.544 2.593 ( -2.131 -1.230 0.343) 2.484 2.807 ( -0.719 -0.415 -1.461) 1.680 2.933 ( -2.309 -1.333 2.610) 3.731 3.347 ( -6.713 -3.876 -1.440) 7.885 3.546 ( 1.653 0.954 -0.015) 1.909 3.720 ( -0.144 -0.083 -0.224) 0.279 4.067 ( 8.287 4.784 -6.827) 11.754 4.227 ( -0.024 -0.014 8.517) 8.517 11.622 ( 0.444 0.257 -1.615) 1.694 11.835 ( -2.120 -1.224 -1.208) 2.730 12.021 ( 0.328 0.190 2.099) 2.133 12.041 ( 0.152 0.088 1.445) 1.456 15.954 ( -0.244 -0.141 0.264) 0.387 16.096 ( -2.659 -1.535 -0.203) 3.077 20.805 ( -0.264 -0.152 -0.393) 0.497 20.981 ( 2.490 1.438 0.432) 2.908 22.876 ( -0.532 -0.307 -0.870) 1.065 22.952 ( -1.256 -0.725 -0.246) 1.471 22.960 ( -1.020 -0.589 0.842) 1.448 23.026 ( -0.216 -0.125 0.058) 0.257 23.432 ( -0.913 -0.527 -0.060) 1.056 23.486 ( -1.298 -0.749 -1.612) 2.201 23.521 ( -0.128 -0.074 0.129) 0.196 23.658 ( -2.375 -1.371 0.283) 2.757 24.710 ( -0.931 -0.538 1.228) 1.632 24.838 ( 0.977 0.564 0.290) 1.165 26.470 ( -0.744 -0.429 -0.052) 0.860 26.491 ( -0.630 -0.364 0.155) 0.744 27.545 ( -1.476 -0.852 -0.281) 1.728 27.614 ( -1.391 -0.803 0.247) 1.625 27.648 ( -2.257 -1.303 -0.582) 2.671 27.705 ( -2.713 -1.566 0.589) 3.188 49.614 ( -1.209 -0.698 2.298) 2.689 49.892 ( 1.548 0.894 -0.722) 1.928 50.532 ( 10.368 5.986 -19.361) 22.764 51.041 ( 3.895 2.249 -1.946) 4.900 51.654 ( -7.972 -4.603 -4.855) 10.407 52.089 ( 7.732 4.464 16.302) 18.587 60.577 ( -0.300 -0.173 -0.006) 0.346 60.608 ( 0.277 0.160 2.378) 2.400 60.798 ( 2.167 1.251 0.312) 2.521 60.974 ( 0.406 0.234 -0.078) 0.475 60.991 ( -2.265 -1.308 -0.888) 2.762 61.131 ( 1.269 0.732 0.209) 1.480 ======================= Grid point 274 (51/84) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -8.298 -4.791 0.224) 9.584 1.166 ( -3.568 -2.060 -2.263) 4.701 1.440 ( -9.266 -5.350 1.606) 10.820 1.686 ( -6.075 -3.507 1.518) 7.177 1.726 ( -1.360 -0.785 -6.915) 7.091 1.917 ( 0.572 0.330 0.677) 0.946 2.107 ( -2.408 -1.390 0.419) 2.812 2.501 ( -6.023 -3.477 6.056) 9.222 2.804 ( 0.332 0.191 -2.739) 2.766 2.867 ( -4.009 -2.314 -3.753) 5.959 3.286 ( 3.171 1.831 0.956) 3.785 3.588 ( 1.949 1.125 -0.144) 2.255 3.719 ( -0.007 -0.004 -0.013) 0.015 4.174 ( -1.312 -0.757 3.195) 3.536 4.279 ( 6.286 3.629 -2.280) 7.608 11.634 ( 0.543 0.314 -1.721) 1.832 11.778 ( -2.789 -1.610 -1.299) 3.473 12.029 ( 0.399 0.230 2.178) 2.226 12.045 ( 0.171 0.099 1.593) 1.605 15.948 ( -0.346 -0.200 0.266) 0.480 16.025 ( -3.534 -2.041 -0.090) 4.082 20.804 ( 0.163 0.094 -0.625) 0.653 21.042 ( 2.819 1.628 0.501) 3.293 22.862 ( -0.663 -0.383 -0.959) 1.227 22.919 ( -1.673 -0.966 -0.453) 1.984 22.933 ( -1.391 -0.803 0.848) 1.816 23.010 ( -1.308 -0.755 0.084) 1.513 23.414 ( -0.680 -0.392 0.183) 0.806 23.455 ( -1.313 -0.758 -1.227) 1.951 23.512 ( -0.640 -0.369 0.023) 0.739 23.595 ( -3.108 -1.794 0.197) 3.594 24.700 ( 0.232 0.134 1.677) 1.698 24.859 ( 0.898 0.519 0.549) 1.174 26.449 ( -1.027 -0.593 -0.042) 1.186 26.474 ( -0.923 -0.533 0.171) 1.079 27.508 ( -1.681 -0.971 -0.199) 1.952 27.576 ( -1.881 -1.086 0.178) 2.180 27.588 ( -2.949 -1.703 -0.614) 3.460 27.634 ( -3.479 -2.009 0.608) 4.063 49.599 ( -0.101 -0.059 0.652) 0.662 49.978 ( 5.723 3.304 1.564) 6.790 50.673 ( 0.081 0.046 -25.995) 25.995 51.129 ( 3.727 2.152 -0.698) 4.360 51.574 ( 3.663 2.115 -2.785) 5.064 52.256 ( 6.391 3.690 17.489) 18.982 60.570 ( -0.284 -0.164 0.090) 0.340 60.617 ( 0.315 0.182 3.643) 3.661 60.864 ( 3.546 2.047 0.802) 4.172 60.941 ( -2.131 -1.231 -1.221) 2.747 60.982 ( 0.358 0.207 -0.207) 0.463 61.137 ( -0.835 -0.482 0.419) 1.052 ======================= Grid point 275 (52/84) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -10.631 -6.138 5.841) 13.594 1.065 ( -6.320 -3.649 5.269) 9.001 1.239 ( -7.257 -4.190 -5.628) 10.094 1.487 ( -10.182 -5.879 4.508) 12.592 1.625 ( -8.527 -4.923 -1.565) 9.969 1.927 ( 0.339 0.196 1.119) 1.185 2.102 ( 0.735 0.425 -2.426) 2.570 2.314 ( -9.716 -5.610 0.270) 11.222 2.766 ( 2.542 1.467 -4.879) 5.694 2.921 ( 4.822 2.784 -0.263) 5.574 3.434 ( 8.505 4.911 2.293) 10.085 3.630 ( 1.689 0.975 -0.139) 1.956 3.720 ( 0.059 0.034 0.042) 0.080 4.088 ( -5.992 -3.460 5.736) 8.988 4.399 ( 3.405 1.966 -6.329) 7.451 11.646 ( 0.468 0.270 -1.810) 1.888 11.717 ( -2.504 -1.446 -1.482) 3.249 12.037 ( 0.331 0.191 2.237) 2.270 12.048 ( 0.043 0.025 1.830) 1.831 15.937 ( -1.279 -0.738 0.027) 1.477 15.949 ( -2.367 -1.367 0.279) 2.748 20.811 ( 0.514 0.297 -0.762) 0.966 21.102 ( 2.381 1.375 0.546) 2.803 22.848 ( -0.492 -0.284 -0.846) 1.019 22.878 ( -1.903 -1.099 -0.634) 2.287 22.901 ( -1.426 -0.823 0.665) 1.775 22.967 ( -2.430 -1.403 -0.110) 2.808 23.403 ( -0.247 -0.143 0.472) 0.551 23.432 ( -0.671 -0.387 -0.563) 0.958 23.494 ( -0.916 -0.529 -0.140) 1.067 23.526 ( -2.940 -1.697 -0.006) 3.394 24.728 ( 2.322 1.340 2.234) 3.490 24.879 ( 0.919 0.531 0.877) 1.377 26.426 ( -1.007 -0.581 -0.041) 1.163 26.452 ( -0.940 -0.543 0.198) 1.103 27.474 ( -1.313 -0.758 -0.149) 1.523 27.523 ( -2.752 -1.589 -0.619) 3.237 27.535 ( -1.761 -1.017 0.139) 2.038 27.558 ( -3.100 -1.790 0.594) 3.629 49.609 ( 0.940 0.543 -1.740) 2.051 50.071 ( -1.479 -0.854 -3.669) 4.047 50.610 ( 0.855 0.494 -16.194) 16.224 51.200 ( 2.482 1.433 1.194) 3.105 51.824 ( 16.268 9.392 -1.681) 18.859 52.344 ( 0.715 0.413 13.113) 13.138 60.564 ( -0.197 -0.114 0.250) 0.338 60.616 ( -0.540 -0.312 3.453) 3.509 60.894 ( -1.956 -1.129 -1.099) 2.512 60.946 ( 3.254 1.879 0.330) 3.772 60.989 ( 0.207 0.120 -0.366) 0.438 61.097 ( -2.478 -1.431 0.607) 2.925 ======================= Grid point 276 (53/84) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -7.087 -4.092 12.904) 15.280 0.865 ( -10.237 -5.910 13.689) 18.086 1.163 ( -0.063 -0.036 -12.383) 12.383 1.268 ( -8.452 -4.880 18.451) 20.873 1.393 ( -10.777 -6.222 -6.241) 13.921 1.930 ( -0.080 -0.046 1.745) 1.748 2.009 ( -7.226 -4.172 2.002) 8.581 2.209 ( -0.353 -0.204 -16.029) 16.034 2.977 ( 12.637 7.296 -1.014) 14.627 3.028 ( 6.980 4.030 3.541) 8.804 3.623 ( 7.425 4.287 1.609) 8.724 3.660 ( 0.931 0.537 0.081) 1.078 3.721 ( 0.116 0.067 -0.165) 0.212 3.901 ( -10.841 -6.259 2.431) 12.752 4.415 ( -1.831 -1.057 -4.036) 4.557 11.654 ( 0.244 0.141 -1.851) 1.872 11.672 ( -1.434 -0.828 -1.701) 2.374 12.043 ( 0.195 0.113 2.256) 2.267 12.047 ( -0.057 -0.033 2.090) 2.091 15.883 ( -1.974 -1.140 -0.033) 2.280 15.935 ( -0.230 -0.133 0.443) 0.517 20.824 ( 0.556 0.321 -0.794) 1.021 21.145 ( 1.362 0.786 0.570) 1.673 22.838 ( -1.499 -0.866 -0.221) 1.745 22.839 ( -0.484 -0.280 -0.141) 0.577 22.875 ( -0.680 -0.392 -0.065) 0.787 22.910 ( -2.325 -1.342 -0.495) 2.729 23.403 ( 0.211 0.122 0.755) 0.794 23.422 ( -0.326 -0.188 0.291) 0.476 23.471 ( -1.736 -1.002 -0.262) 2.022 23.474 ( -0.866 -0.500 -0.355) 1.062 24.800 ( 3.594 2.075 1.186) 4.317 24.901 ( 0.968 0.559 1.175) 1.621 26.407 ( -0.631 -0.364 -0.036) 0.729 26.434 ( -0.598 -0.345 0.217) 0.724 27.452 ( -0.603 -0.348 -0.155) 0.713 27.470 ( -1.805 -1.042 -0.484) 2.140 27.501 ( -1.131 -0.653 0.148) 1.315 27.503 ( -1.674 -0.967 0.460) 1.987 49.638 ( 1.642 0.948 -4.266) 4.668 49.863 ( -12.580 -7.263 -10.866) 18.141 50.869 ( 19.323 11.156 2.659) 22.470 51.234 ( 0.488 0.282 3.274) 3.322 52.194 ( 14.225 8.213 -0.092) 16.425 52.252 ( -8.918 -5.149 4.249) 11.140 60.561 ( -0.152 -0.088 0.447) 0.481 60.589 ( -1.831 -1.057 1.671) 2.695 60.856 ( -1.137 -0.656 -1.216) 1.789 60.992 ( 0.104 0.060 -0.528) 0.542 60.994 ( 0.806 0.465 -0.483) 1.049 61.042 ( -2.047 -1.182 0.813) 2.500 ======================= Grid point 278 (54/84) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 1.206 11.975 7.450) 14.154 0.947 ( -1.719 10.279 16.015) 19.108 1.233 ( 7.161 3.211 -11.490) 13.915 1.464 ( 4.620 8.468 -6.649) 11.716 1.613 ( 13.445 12.646 10.901) 21.436 1.916 ( -1.446 1.120 2.124) 2.803 2.123 ( 1.644 -0.756 -3.428) 3.876 2.205 ( -0.029 7.757 -2.971) 8.307 2.787 ( -4.365 -6.521 -3.395) 8.550 2.949 ( -2.880 -4.827 0.635) 5.656 3.491 ( -4.474 -9.000 1.838) 10.217 3.637 ( -1.443 -0.836 0.255) 1.687 3.723 ( 0.803 -0.429 -0.505) 1.041 4.007 ( -0.700 7.057 6.262) 9.460 4.458 ( 3.546 -1.792 -7.094) 8.131 11.648 ( -0.292 -0.192 -1.771) 1.805 11.701 ( 1.213 2.012 -1.541) 2.810 12.043 ( 0.249 -0.160 2.171) 2.191 12.045 ( -0.291 -0.090 1.935) 1.958 15.923 ( 1.323 2.936 0.016) 3.220 15.942 ( 0.633 0.443 0.320) 0.836 20.815 ( -0.300 -0.562 -0.782) 1.009 21.115 ( -1.256 -2.161 0.557) 2.561 22.836 ( -0.722 1.638 0.096) 1.793 22.862 ( 1.437 0.288 -0.988) 1.767 22.917 ( 2.320 1.680 0.056) 2.865 22.942 ( 0.708 2.664 -0.232) 2.767 23.405 ( 0.438 0.153 0.462) 0.655 23.428 ( 0.129 0.406 -0.271) 0.505 23.475 ( -0.259 1.440 0.194) 1.476 23.518 ( 1.962 2.277 -0.372) 3.029 24.744 ( -1.558 -2.898 2.195) 3.955 24.884 ( -0.649 -0.950 1.002) 1.526 26.420 ( 0.585 0.962 -0.052) 1.127 26.447 ( 0.493 0.893 0.213) 1.042 27.473 ( 1.316 1.139 -0.235) 1.756 27.494 ( 0.454 1.961 -0.388) 2.050 27.528 ( 0.820 2.902 0.461) 3.051 27.542 ( 2.068 2.138 0.143) 2.978 49.679 ( 5.784 -1.448 -3.966) 7.161 50.002 ( 0.962 10.847 -9.810) 14.657 50.559 ( -12.921 -13.281 -2.152) 18.653 51.171 ( -5.187 1.554 4.192) 6.847 51.910 ( -11.908 -16.979 -0.457) 20.744 52.411 ( 8.118 0.604 5.888) 10.046 60.556 ( -0.259 -0.162 0.692) 0.756 60.651 ( 3.941 1.103 2.092) 4.596 60.873 ( 0.059 2.053 -1.291) 2.426 60.977 ( 0.194 -2.088 -0.151) 2.103 60.991 ( -0.316 -1.064 -0.907) 1.434 61.082 ( 1.390 2.552 0.647) 2.978 ======================= Grid point 279 (55/84) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 3.553 9.983 2.497) 10.887 1.041 ( 0.596 11.303 13.179) 17.372 1.433 ( 10.252 4.678 -10.635) 15.495 1.598 ( 3.807 6.549 -8.168) 11.140 1.898 ( 3.258 1.096 2.974) 4.545 1.921 ( 2.261 3.500 5.453) 6.863 2.033 ( -3.770 1.268 -1.422) 4.224 2.409 ( 11.536 7.453 5.279) 14.714 2.764 ( 2.700 2.951 -4.990) 6.395 2.842 ( -3.974 -4.476 -2.318) 6.419 3.332 ( -4.492 -6.749 0.899) 8.157 3.603 ( -2.082 0.174 0.214) 2.100 3.736 ( 0.883 -0.102 -0.649) 1.100 4.006 ( -4.819 2.988 7.453) 9.365 4.470 ( 1.787 -5.444 -6.093) 8.364 11.641 ( -0.576 0.169 -1.668) 1.773 11.747 ( 2.017 1.683 -1.208) 2.891 12.035 ( -0.500 -0.578 1.677) 1.843 12.049 ( 0.359 0.320 1.983) 2.041 15.948 ( 0.049 1.183 0.371) 1.240 15.994 ( 2.949 2.332 -0.156) 3.763 20.806 ( -0.201 -0.264 -0.711) 0.785 21.064 ( -2.077 -2.424 0.521) 3.234 22.846 ( -0.015 1.668 -0.072) 1.670 22.896 ( 2.227 0.035 -0.910) 2.406 22.962 ( 0.604 2.421 -0.038) 2.496 22.982 ( 1.556 0.981 0.261) 1.858 23.422 ( 1.056 0.520 0.016) 1.177 23.436 ( 0.241 0.860 -0.768) 1.178 23.489 ( 0.353 1.142 0.529) 1.307 23.578 ( 2.395 2.308 -0.242) 3.335 24.709 ( -0.438 -0.739 1.843) 2.034 24.862 ( -0.889 -0.821 0.742) 1.419 26.443 ( 0.853 1.032 -0.080) 1.341 26.466 ( 0.704 0.918 0.210) 1.176 27.510 ( 1.183 1.791 -0.555) 2.217 27.530 ( 2.109 1.120 0.039) 2.388 27.577 ( 1.188 3.448 0.406) 3.670 27.609 ( 3.037 2.303 0.111) 3.813 49.773 ( 3.488 2.873 -3.934) 5.991 50.079 ( 3.188 -3.359 -3.221) 5.641 50.266 ( -10.118 -4.408 -7.862) 13.551 51.116 ( -6.414 6.480 3.943) 9.934 51.557 ( -11.710 -10.264 0.035) 15.571 52.475 ( 3.605 -7.801 4.724) 9.806 60.550 ( 0.293 -1.146 0.517) 1.291 60.710 ( 2.037 0.255 2.178) 2.994 60.898 ( 0.073 2.512 -1.297) 2.828 60.941 ( -1.482 -3.203 -0.480) 3.562 60.977 ( 0.179 -0.981 -0.797) 1.276 61.122 ( 0.949 1.247 0.644) 1.694 ======================= Grid point 280 (56/84) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 4.235 6.308 -0.136) 7.599 1.172 ( 0.724 11.902 7.580) 14.129 1.605 ( 6.115 0.627 -8.959) 10.866 1.737 ( 4.769 6.352 -4.711) 9.235 1.867 ( -2.549 -1.748 -3.083) 4.366 1.924 ( -2.547 6.499 2.299) 7.349 2.096 ( 2.051 2.891 4.345) 5.607 2.634 ( 7.497 -0.056 6.246) 9.759 2.743 ( -2.535 -3.176 -5.312) 6.688 2.917 ( 10.418 5.242 -1.494) 11.758 3.234 ( -1.413 -2.458 0.168) 2.840 3.573 ( -2.424 1.553 0.300) 2.894 3.750 ( 0.297 1.062 -0.776) 1.349 3.924 ( -6.251 0.474 5.631) 8.426 4.416 ( -0.614 -7.274 -2.858) 7.840 11.633 ( -0.788 0.590 -1.583) 1.864 11.798 ( 2.318 1.045 -0.869) 2.687 12.018 ( -0.452 -1.316 1.382) 1.961 12.060 ( 0.083 1.027 1.823) 2.094 15.959 ( -0.113 1.271 0.299) 1.311 16.065 ( 2.936 1.676 -0.208) 3.387 20.804 ( 0.089 0.108 -0.505) 0.524 21.003 ( -2.250 -2.317 0.451) 3.261 22.865 ( 0.302 1.479 -0.285) 1.536 22.933 ( 2.103 -0.154 -0.668) 2.212 22.986 ( -0.140 1.658 -0.078) 1.666 23.008 ( 0.835 0.537 0.603) 1.162 23.442 ( 0.707 0.557 -0.546) 1.053 23.459 ( 1.242 1.252 -0.915) 1.987 23.505 ( 0.272 0.817 0.549) 1.021 23.638 ( 2.299 1.714 -0.014) 2.868 24.712 ( 0.736 0.480 1.170) 1.463 24.839 ( -1.000 -0.757 0.574) 1.379 26.466 ( 0.700 0.963 -0.099) 1.194 26.486 ( 0.595 0.811 0.202) 1.026 27.546 ( 0.966 1.792 -0.654) 2.138 27.580 ( 2.392 0.916 0.322) 2.582 27.630 ( 1.383 2.694 0.079) 3.030 27.681 ( 2.864 1.865 0.251) 3.427 49.817 ( -4.082 5.967 -3.551) 8.055 50.037 ( 1.413 -8.932 -1.698) 9.201 50.158 ( 0.055 -4.301 -9.179) 10.137 51.050 ( -8.558 5.913 4.219) 11.225 51.397 ( -1.417 1.218 2.394) 3.037 52.394 ( -1.149 -12.028 2.140) 12.271 60.542 ( 0.946 -2.619 0.075) 2.786 60.728 ( 0.117 0.173 1.279) 1.296 60.859 ( -4.097 -1.180 -1.475) 4.511 60.938 ( 1.448 0.435 -0.032) 1.512 60.976 ( 0.352 0.246 -0.522) 0.676 61.133 ( -0.311 -0.132 0.567) 0.660 ======================= Grid point 281 (57/84) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 3.794 4.588 -2.344) 6.398 1.273 ( -0.936 8.795 2.448) 9.177 1.656 ( 2.057 -3.472 -3.540) 5.368 1.828 ( -0.222 3.866 -0.956) 3.989 1.851 ( 0.029 2.686 -3.977) 4.799 1.969 ( -2.514 9.879 -2.101) 10.408 2.133 ( 0.778 0.836 6.024) 6.131 2.641 ( -1.514 -2.492 -2.715) 3.984 2.726 ( 2.781 -4.034 0.539) 4.929 3.151 ( 9.571 2.809 -3.600) 10.605 3.224 ( 2.076 -1.390 4.143) 4.838 3.554 ( -2.349 2.952 0.656) 3.829 3.765 ( -1.027 2.755 -0.885) 3.070 3.839 ( -2.583 -0.391 2.506) 3.620 4.319 ( -1.999 -7.470 0.587) 7.755 11.627 ( -0.792 0.932 -1.534) 1.962 11.842 ( 1.894 0.510 -0.738) 2.096 11.997 ( 0.025 -2.113 1.164) 2.413 12.069 ( -0.548 1.596 1.825) 2.486 15.968 ( -0.412 1.351 0.254) 1.435 16.118 ( 1.965 0.534 -0.252) 2.052 20.811 ( 0.302 0.432 -0.260) 0.588 20.950 ( -1.553 -1.813 0.363) 2.415 22.882 ( 0.152 1.148 -0.464) 1.247 22.961 ( 1.506 -0.228 -0.298) 1.552 22.989 ( -0.430 0.039 -0.027) 0.433 23.024 ( 0.027 1.166 0.535) 1.284 23.458 ( 0.329 0.683 -0.718) 1.044 23.491 ( 1.151 0.740 -1.006) 1.698 23.513 ( -0.003 0.536 0.252) 0.592 23.683 ( 1.486 0.746 0.180) 1.672 24.735 ( 0.959 0.752 0.915) 1.524 24.815 ( -0.855 -0.647 0.368) 1.134 26.483 ( 0.237 0.786 -0.097) 0.827 26.500 ( 0.258 0.615 0.183) 0.692 27.574 ( 0.402 1.346 -0.592) 1.524 27.622 ( 1.406 0.939 0.464) 1.753 27.670 ( 1.076 1.179 -0.287) 1.621 27.734 ( 1.782 0.857 0.400) 2.017 49.762 ( -5.678 1.596 -2.487) 6.401 50.010 ( 5.014 -8.251 -5.286) 11.008 50.118 ( -3.556 2.017 -6.462) 7.646 50.996 ( -4.070 6.381 2.861) 8.091 51.478 ( 6.154 4.093 6.932) 10.133 52.225 ( -4.103 -12.840 -0.786) 13.503 60.529 ( 1.440 -4.172 -0.370) 4.429 60.722 ( -1.778 1.326 -0.192) 2.226 60.789 ( -2.959 -0.032 -0.406) 2.987 60.951 ( 0.890 -1.422 -0.023) 1.678 61.007 ( 1.527 2.399 -0.081) 2.845 61.112 ( -1.491 -0.761 0.233) 1.690 ======================= Grid point 282 (58/84) ======================= q-point: ( 0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 1.300 2.042 -4.373) 4.998 1.319 ( -1.831 7.054 -1.655) 7.474 1.630 ( 0.449 -5.009 0.938) 5.116 1.831 ( -3.081 3.455 0.697) 4.681 1.889 ( -0.386 3.344 -5.279) 6.261 1.986 ( -6.442 9.508 -1.416) 11.572 2.153 ( 1.389 -0.540 6.058) 6.238 2.601 ( 0.007 -2.660 -4.049) 4.844 2.737 ( 2.666 -2.410 -0.024) 3.594 3.131 ( -5.128 -4.408 2.494) 7.208 3.352 ( 7.516 -1.449 -1.238) 7.754 3.559 ( -1.222 4.693 0.651) 4.893 3.756 ( -2.266 2.156 -0.459) 3.162 3.855 ( 3.265 1.323 -1.051) 3.676 4.226 ( -0.758 -5.726 4.000) 7.026 11.625 ( -0.605 1.133 -1.538) 2.003 11.865 ( 0.431 -0.214 -0.899) 1.020 11.983 ( 1.102 -2.226 1.179) 2.750 12.071 ( -1.166 1.736 1.955) 2.863 15.971 ( -0.718 1.274 0.236) 1.481 16.138 ( 0.333 -0.622 -0.263) 0.753 20.817 ( -0.178 0.294 -0.141) 0.372 20.925 ( 0.393 -0.708 0.319) 0.870 22.890 ( -0.272 0.812 -0.619) 1.056 22.973 ( -0.300 -0.873 0.427) 1.017 22.980 ( 0.345 -0.012 -0.359) 0.498 23.031 ( -0.416 1.047 0.379) 1.189 23.461 ( -0.579 0.286 -0.494) 0.813 23.509 ( 0.265 0.320 -1.362) 1.424 23.517 ( 0.054 0.200 0.071) 0.219 23.699 ( 0.078 -0.249 0.309) 0.405 24.745 ( -0.531 0.044 1.083) 1.207 24.807 ( 0.481 -0.000 0.073) 0.486 26.489 ( -0.332 0.514 -0.076) 0.616 26.506 ( -0.183 0.362 0.160) 0.436 27.582 ( -0.607 0.722 -0.454) 1.047 27.641 ( -0.076 0.535 0.409) 0.678 27.686 ( 0.141 -0.121 -0.486) 0.520 27.753 ( 0.066 -0.285 0.504) 0.583 49.686 ( -3.241 -0.747 -1.023) 3.480 49.998 ( -2.905 -0.226 -3.367) 4.453 50.131 ( 5.745 -0.358 -9.061) 10.735 51.029 ( -1.738 9.461 -0.104) 9.620 51.647 ( 10.154 0.982 10.912) 14.938 52.025 ( -5.195 -11.102 -2.988) 12.616 60.513 ( 1.891 -4.585 -0.370) 4.973 60.697 ( -3.317 3.053 -0.331) 4.520 60.767 ( -0.204 0.594 0.182) 0.653 60.952 ( 0.878 -1.239 -0.070) 1.520 61.059 ( 1.275 1.788 0.216) 2.207 61.074 ( -1.362 -0.595 -0.280) 1.512 ======================= Grid point 284 (59/84) ======================= q-point: (-0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -2.827 -1.135 -5.697) 6.461 1.346 ( -4.043 6.318 -2.370) 7.867 1.589 ( 0.538 -4.822 3.001) 5.705 1.793 ( -5.429 3.808 1.603) 6.823 1.870 ( -3.876 0.087 -8.521) 9.362 1.972 ( -4.991 7.763 0.566) 9.247 2.160 ( 0.199 -0.908 5.030) 5.115 2.583 ( 0.593 -2.942 -2.172) 3.705 2.771 ( 3.330 -1.859 -1.049) 3.956 2.980 ( -6.276 -3.742 3.097) 7.936 3.368 ( -0.982 -5.886 -1.296) 6.107 3.580 ( -2.007 4.166 0.143) 4.627 3.742 ( -1.541 1.454 -0.163) 2.125 3.976 ( 7.857 4.587 -4.628) 10.207 4.191 ( 1.774 -3.988 6.957) 8.213 11.628 ( -0.323 1.140 -1.594) 1.986 11.849 ( -1.207 -1.437 -1.038) 2.145 11.993 ( 1.796 -1.119 1.269) 2.467 12.065 ( -1.337 1.377 2.069) 2.822 15.969 ( -0.915 1.042 0.234) 1.406 16.117 ( -1.503 -1.443 -0.225) 2.096 20.811 ( -0.555 -0.046 -0.254) 0.612 20.949 ( 2.345 0.443 0.379) 2.416 22.889 ( -0.751 0.599 -0.769) 1.231 22.951 ( -0.842 -1.482 0.106) 1.708 22.984 ( -0.487 0.492 0.292) 0.751 23.031 ( -0.497 0.375 0.193) 0.652 23.447 ( -1.139 -0.033 -0.214) 1.159 23.500 ( -1.049 -0.419 -1.609) 1.966 23.522 ( 0.089 0.157 0.050) 0.187 23.681 ( -1.536 -0.932 0.376) 1.835 24.725 ( -1.304 -0.325 1.074) 1.720 24.825 ( 1.136 0.292 0.208) 1.191 26.482 ( -0.842 0.187 -0.053) 0.864 26.501 ( -0.631 0.086 0.148) 0.654 27.568 ( -1.592 0.201 -0.312) 1.635 27.629 ( -1.299 -0.591 0.153) 1.435 27.673 ( -1.346 -0.340 -0.421) 1.451 27.731 ( -1.813 -1.152 0.551) 2.217 49.651 ( -1.317 1.497 0.217) 2.006 49.941 ( -5.192 4.379 -0.299) 6.798 50.276 ( 14.245 -6.324 -14.105) 21.021 51.106 ( -0.640 10.088 -1.327) 10.195 51.727 ( -4.649 -4.278 -1.255) 6.441 51.940 ( 9.540 -3.585 9.830) 14.160 60.510 ( 2.506 -3.595 0.261) 4.390 60.677 ( -2.738 3.330 0.878) 4.400 60.786 ( 1.062 1.643 0.048) 1.957 60.957 ( 1.047 -1.002 -0.205) 1.463 61.023 ( -2.584 -0.601 -0.593) 2.718 61.112 ( 1.857 1.054 0.207) 2.145 ======================= Grid point 285 (60/84) ======================= q-point: (-0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -5.734 -4.206 -3.952) 8.136 1.294 ( -8.050 4.514 1.601) 9.367 1.517 ( -5.384 -4.582 0.391) 7.080 1.765 ( -3.079 4.043 3.219) 6.016 1.772 ( -4.719 -1.668 -11.401) 12.451 1.960 ( -3.495 4.416 0.772) 5.684 2.135 ( -2.195 -1.422 2.545) 3.649 2.540 ( -2.840 -3.583 4.745) 6.589 2.785 ( 1.199 -1.191 -3.503) 3.889 2.890 ( -2.208 -3.241 0.045) 3.922 3.270 ( -1.783 -3.049 -0.653) 3.592 3.591 ( -0.340 2.604 -0.239) 2.637 3.731 ( -1.033 0.794 -0.092) 1.306 4.152 ( 3.618 0.920 -1.119) 3.898 4.203 ( 5.921 0.913 3.034) 6.716 11.635 ( -0.045 0.895 -1.680) 1.904 11.804 ( -2.149 -1.752 -1.110) 2.987 12.015 ( 1.425 -0.182 1.428) 2.026 12.055 ( -0.962 0.688 2.095) 2.406 15.961 ( -0.952 0.717 0.249) 1.217 16.063 ( -3.013 -1.679 -0.150) 3.453 20.804 ( -0.159 0.002 -0.485) 0.510 21.003 ( 3.144 0.798 0.459) 3.276 22.878 ( -1.092 0.593 -0.889) 1.527 22.917 ( -1.101 -1.917 -0.024) 2.211 22.973 ( -1.667 1.015 0.497) 2.013 23.020 ( -0.793 -0.507 0.092) 0.945 23.427 ( -1.098 0.034 0.011) 1.099 23.472 ( -1.504 -0.678 -1.416) 2.174 23.518 ( -0.493 -0.268 0.014) 0.561 23.633 ( -2.833 -1.021 0.320) 3.029 24.704 ( -0.715 -0.071 1.302) 1.487 24.846 ( 1.087 0.189 0.429) 1.184 26.465 ( -1.196 -0.081 -0.045) 1.200 26.487 ( -0.991 -0.141 0.158) 1.014 27.537 ( -2.139 0.044 -0.206) 2.149 27.589 ( -1.914 -1.628 -0.156) 2.518 27.637 ( -2.784 0.173 -0.219) 2.798 27.674 ( -3.239 -1.566 0.556) 3.641 49.660 ( -2.446 5.622 0.780) 6.180 49.937 ( 1.183 3.060 0.756) 3.366 50.442 ( 14.138 -11.751 -18.353) 25.977 51.199 ( 0.148 8.677 -1.630) 8.830 51.561 ( -4.934 -4.858 -4.750) 8.397 52.138 ( 11.548 2.391 14.710) 18.854 60.525 ( 2.448 -2.061 0.837) 3.308 60.668 ( -2.129 3.131 2.080) 4.320 60.835 ( 2.406 2.397 0.342) 3.413 60.965 ( 0.638 -0.703 -0.552) 1.098 60.974 ( -2.212 -0.758 -0.811) 2.475 61.138 ( 0.439 0.032 0.342) 0.557 ======================= Grid point 286 (61/84) ======================= q-point: (-0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -8.808 -5.029 1.184) 10.211 1.161 ( -9.277 -3.098 8.915) 13.234 1.345 ( -9.518 -0.717 -6.432) 11.510 1.626 ( -7.777 -2.533 -9.770) 12.742 1.780 ( -6.720 5.950 5.987) 10.789 1.939 ( -1.910 0.707 1.226) 2.377 2.086 ( 0.159 -0.983 -1.110) 1.491 2.404 ( -8.252 -5.147 5.470) 11.158 2.775 ( -3.759 -1.869 -4.805) 6.381 2.851 ( 4.763 0.095 -2.784) 5.517 3.322 ( 7.551 1.397 1.521) 7.828 3.615 ( 0.980 0.919 -0.124) 1.349 3.723 ( -0.511 0.318 -0.260) 0.656 4.117 ( -1.902 -4.912 7.155) 8.885 4.366 ( 5.384 5.484 -6.213) 9.882 11.643 ( 0.179 0.396 -1.754) 1.807 11.749 ( -2.585 -1.078 -1.274) 3.077 12.034 ( 0.723 0.278 1.719) 1.886 12.047 ( -0.344 0.036 2.076) 2.104 15.951 ( -0.823 0.371 0.300) 0.952 15.990 ( -3.717 -1.198 -0.080) 3.906 20.806 ( 0.331 0.094 -0.695) 0.775 21.064 ( 3.143 0.580 0.519) 3.238 22.865 ( -1.212 0.410 -0.709) 1.463 22.879 ( -1.153 -1.643 -0.352) 2.038 22.949 ( -2.459 1.303 0.376) 2.808 22.991 ( -1.790 -1.103 0.005) 2.103 23.412 ( -0.800 0.251 0.247) 0.874 23.443 ( -1.105 -0.479 -0.946) 1.532 23.501 ( -0.903 -0.774 0.076) 1.192 23.572 ( -3.391 -0.425 0.052) 3.418 24.706 ( 0.934 0.320 1.886) 2.129 24.865 ( 1.086 0.080 0.683) 1.286 26.442 ( -1.312 -0.154 -0.050) 1.322 26.467 ( -1.153 -0.201 0.187) 1.185 27.501 ( -2.130 0.275 -0.156) 2.153 27.539 ( -2.041 -1.674 -0.364) 2.665 27.588 ( -3.485 0.686 -0.067) 3.553 27.599 ( -3.596 -1.522 0.566) 3.945 49.667 ( -3.490 6.407 -0.859) 7.346 50.035 ( 5.443 2.165 0.802) 5.913 50.479 ( 6.212 -14.164 -19.184) 24.642 51.213 ( -3.343 0.741 -0.282) 3.436 51.607 ( 13.408 0.264 -1.459) 13.489 52.332 ( 5.796 5.785 12.191) 14.686 60.546 ( 1.378 -0.673 0.883) 1.770 60.663 ( -2.075 2.951 2.699) 4.505 60.906 ( 2.353 1.682 0.989) 3.057 60.925 ( -1.520 -0.239 -1.657) 2.261 60.977 ( 0.963 -0.561 -0.614) 1.272 61.125 ( -1.626 -0.500 0.519) 1.778 ======================= Grid point 291 (62/84) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 1.388 7.679 -1.354) 7.920 1.298 ( 0.727 12.361 10.391) 16.164 1.511 ( 6.690 2.979 -8.728) 11.394 1.728 ( 3.100 6.936 -9.620) 12.259 1.856 ( 2.033 -2.435 0.031) 3.172 2.002 ( 1.241 4.705 3.106) 5.773 2.114 ( 1.050 4.496 1.616) 4.892 2.514 ( 5.039 2.708 6.766) 8.860 2.763 ( -3.134 -3.036 -4.645) 6.373 2.850 ( 3.129 4.870 -1.931) 6.102 3.237 ( -1.861 -1.977 0.102) 2.717 3.615 ( -0.219 0.964 -0.108) 0.995 3.743 ( 1.166 0.831 -0.515) 1.522 4.057 ( -7.052 2.029 7.054) 10.179 4.314 ( 1.884 -10.201 -4.388) 11.264 11.646 ( 0.091 0.313 -1.707) 1.738 11.781 ( 0.887 1.857 -0.921) 2.255 12.015 ( -0.752 -1.481 1.099) 1.991 12.063 ( 0.734 1.009 2.276) 2.595 15.971 ( 0.575 1.163 0.266) 1.324 16.043 ( 1.616 2.616 -0.157) 3.079 20.804 ( 0.072 0.076 -0.524) 0.535 21.011 ( -1.685 -2.923 0.465) 3.406 22.883 ( -0.368 2.011 -0.152) 2.050 22.900 ( 1.763 0.343 -0.838) 1.982 22.993 ( 1.242 0.358 0.465) 1.374 23.006 ( 0.104 1.840 0.091) 1.845 23.433 ( 0.993 0.704 -0.076) 1.220 23.460 ( 0.396 1.547 -1.172) 1.981 23.511 ( 0.082 0.982 0.106) 0.991 23.625 ( 1.572 2.375 0.226) 2.857 24.706 ( 0.491 0.411 1.279) 1.431 24.846 ( -0.750 -0.900 0.546) 1.293 26.465 ( 0.725 1.176 -0.061) 1.383 26.485 ( 0.544 1.002 0.174) 1.154 27.546 ( 1.840 1.758 -0.180) 2.551 27.563 ( 0.471 2.269 -0.341) 2.342 27.641 ( 0.871 2.663 0.299) 2.818 27.657 ( 2.236 2.742 0.208) 3.544 49.812 ( 8.582 -2.302 -1.332) 8.985 49.979 ( 0.097 -0.148 0.390) 0.429 50.205 ( -13.370 -4.489 -14.135) 19.968 51.231 ( -5.733 1.412 3.728) 6.983 51.466 ( -3.213 4.012 -2.160) 5.575 52.246 ( 1.094 -14.989 6.332) 16.308 60.512 ( -0.706 -2.497 0.503) 2.643 60.714 ( 1.908 0.254 2.013) 2.785 60.878 ( -0.079 -3.021 -0.060) 3.023 60.942 ( -1.489 0.582 -0.736) 1.759 60.968 ( 1.160 1.374 -1.017) 2.066 61.136 ( -0.128 0.110 0.491) 0.520 ======================= Grid point 292 (63/84) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 2.407 6.125 -2.847) 7.171 1.390 ( -1.946 8.246 6.451) 10.649 1.591 ( 2.673 -1.983 -6.619) 7.408 1.863 ( 3.058 7.591 -5.304) 9.752 1.881 ( 1.098 3.452 -2.030) 4.152 2.053 ( 0.194 4.137 4.787) 6.330 2.186 ( -0.441 7.733 -0.268) 7.750 2.584 ( 4.854 -4.122 4.317) 7.693 2.675 ( -3.330 -3.601 -6.192) 7.899 3.003 ( 9.323 3.429 0.556) 9.949 3.206 ( -1.105 -0.837 0.524) 1.482 3.623 ( -1.391 3.278 0.422) 3.586 3.777 ( 1.440 1.484 -0.663) 2.172 3.941 ( -7.800 1.185 4.542) 9.103 4.235 ( 1.072 -10.861 -1.100) 10.969 11.650 ( -0.446 1.095 -1.677) 2.052 11.816 ( 1.592 0.943 -0.630) 1.954 11.983 ( -0.831 -2.217 0.708) 2.471 12.086 ( 0.401 1.475 2.314) 2.773 15.991 ( -0.065 1.867 0.194) 1.878 16.090 ( 1.795 0.850 -0.183) 1.994 20.810 ( 0.332 0.552 -0.285) 0.704 20.955 ( -1.646 -2.553 0.381) 3.061 22.897 ( -0.231 1.730 -0.308) 1.772 22.932 ( 1.774 0.097 -0.570) 1.865 22.994 ( -0.375 -0.377 0.068) 0.536 23.033 ( 0.524 1.563 0.531) 1.732 23.457 ( 0.842 0.923 -0.504) 1.347 23.484 ( 0.670 1.237 -1.018) 1.736 23.520 ( -0.027 0.594 -0.142) 0.611 23.667 ( 1.357 1.239 0.423) 1.885 24.727 ( 0.979 0.977 0.854) 1.626 24.823 ( -0.886 -0.865 0.461) 1.321 26.487 ( 0.486 1.080 -0.060) 1.186 26.502 ( 0.371 0.820 0.158) 0.914 27.585 ( 0.386 2.169 -0.526) 2.265 27.602 ( 1.982 1.336 0.091) 2.392 27.672 ( 0.391 1.504 0.052) 1.555 27.713 ( 1.885 1.392 0.360) 2.370 49.840 ( 4.013 -8.110 -5.037) 10.356 49.915 ( -11.059 -1.694 -8.190) 13.865 50.151 ( 5.924 7.287 -1.105) 9.456 51.122 ( -5.796 1.860 7.158) 9.397 51.499 ( -2.220 6.888 2.234) 7.574 52.100 ( 0.805 -16.990 -0.785) 17.028 60.476 ( 0.050 -3.625 -0.261) 3.635 60.738 ( 0.583 0.830 1.022) 1.440 60.840 ( -2.261 -0.830 -0.892) 2.568 60.922 ( 0.123 -1.591 -0.291) 1.623 61.009 ( 1.127 2.492 -0.382) 2.762 61.125 ( -0.798 -0.632 0.424) 1.103 ======================= Grid point 293 (64/84) ======================= q-point: ( 0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 1.593 4.551 -3.962) 6.241 1.414 ( -1.708 4.688 0.428) 5.008 1.581 ( 0.246 -4.199 -0.922) 4.306 1.928 ( -1.861 5.125 -1.828) 5.751 1.955 ( -1.132 8.792 -1.885) 9.063 2.107 ( 2.569 1.250 4.139) 5.030 2.215 ( -6.338 10.088 -0.968) 11.953 2.586 ( -2.149 -3.329 -5.390) 6.690 2.637 ( 5.394 -4.228 0.335) 6.862 3.154 ( -2.282 -2.953 0.793) 3.815 3.187 ( 9.249 -1.600 1.202) 9.463 3.633 ( -1.642 4.680 1.038) 5.067 3.820 ( 1.714 2.136 -0.802) 2.854 3.843 ( -4.827 1.190 1.536) 5.203 4.151 ( 0.965 -9.223 2.103) 9.509 11.652 ( -0.834 1.546 -1.659) 2.416 11.850 ( 1.344 0.424 -0.587) 1.527 11.949 ( -0.032 -2.633 0.540) 2.688 12.101 ( -0.402 1.475 2.397) 2.843 16.003 ( -0.859 2.168 0.151) 2.337 16.117 ( 1.220 -0.684 -0.194) 1.412 20.823 ( 0.169 0.854 -0.088) 0.875 20.913 ( -0.505 -1.883 0.295) 1.972 22.907 ( -0.384 1.383 -0.447) 1.503 22.959 ( 1.254 -0.110 -0.115) 1.265 22.980 ( -0.576 -0.710 -0.250) 0.948 23.049 ( -0.209 1.231 0.622) 1.395 23.474 ( -0.104 0.945 -0.693) 1.177 23.504 ( 0.670 0.618 -0.699) 1.148 23.521 ( -0.236 0.143 -0.642) 0.698 23.691 ( 0.646 0.145 0.561) 0.868 24.750 ( 0.441 0.827 0.791) 1.226 24.803 ( -0.389 -0.678 0.302) 0.838 26.500 ( -0.100 0.880 -0.045) 0.887 26.512 ( -0.002 0.557 0.138) 0.574 27.604 ( -0.482 1.686 -0.476) 1.817 27.642 ( 1.100 1.140 0.279) 1.609 27.682 ( -0.013 -0.045 -0.331) 0.335 27.743 ( 0.861 0.094 0.491) 0.996 49.744 ( -5.686 -3.154 -6.536) 9.220 49.854 ( 6.586 -6.561 -8.543) 12.626 50.276 ( -5.097 13.255 1.458) 14.276 51.124 ( 1.208 6.120 6.105) 8.729 51.504 ( 2.366 -3.981 8.822) 9.964 51.964 ( -0.649 -11.168 -6.459) 12.917 60.448 ( 0.914 -3.655 -0.703) 3.832 60.755 ( -0.237 1.907 -0.069) 1.923 60.794 ( -2.525 0.387 -0.431) 2.591 60.916 ( 1.196 -2.111 -0.147) 2.431 61.053 ( 1.342 2.143 0.056) 2.529 61.099 ( -1.609 -0.601 0.173) 1.726 ======================= Grid point 294 (65/84) ======================= q-point: (-0.55 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -2.558 0.734 -5.087) 5.741 1.452 ( -0.038 5.663 -3.035) 6.425 1.539 ( 0.168 -4.169 3.116) 5.208 1.915 ( -4.688 3.973 -0.288) 6.152 1.975 ( -5.714 5.434 -3.883) 8.790 2.128 ( -0.332 -1.556 4.672) 4.936 2.199 ( -7.020 11.049 -0.905) 13.122 2.535 ( 0.515 -3.818 -3.157) 4.981 2.683 ( 4.100 -3.100 -2.418) 5.681 3.049 ( -5.331 -3.081 3.256) 6.966 3.279 ( 4.640 -5.286 -0.717) 7.070 3.656 ( -1.728 4.032 0.643) 4.433 3.793 ( -2.784 1.253 -0.056) 3.053 3.903 ( 5.636 4.284 -1.481) 7.233 4.101 ( 2.392 -6.902 4.586) 8.625 11.653 ( -0.882 1.484 -1.670) 2.402 11.853 ( -0.795 -0.950 -0.719) 1.432 11.947 ( 2.140 -1.298 0.627) 2.581 12.100 ( -1.195 1.103 2.449) 2.940 16.003 ( -1.427 1.831 0.145) 2.326 16.117 ( -0.045 -1.400 -0.187) 1.413 20.823 ( -0.834 0.282 -0.089) 0.885 20.913 ( 1.871 -0.504 0.302) 1.961 22.910 ( -0.720 1.167 -0.587) 1.492 22.953 ( -0.873 -1.185 0.078) 1.474 22.982 ( 0.789 0.080 -0.243) 0.830 23.050 ( -0.866 0.767 0.583) 1.296 23.469 ( -1.186 0.458 -0.444) 1.347 23.512 ( -0.702 -0.167 -1.462) 1.631 23.520 ( 0.440 0.266 -0.213) 0.557 23.691 ( -0.519 -0.485 0.617) 0.941 24.746 ( -1.266 0.064 0.857) 1.530 24.807 ( 1.090 -0.033 0.236) 1.115 26.499 ( -0.746 0.524 -0.030) 0.913 26.512 ( -0.455 0.283 0.124) 0.550 27.601 ( -1.484 1.120 -0.328) 1.888 27.647 ( -1.255 -0.193 0.092) 1.273 27.682 ( 0.150 -0.060 -0.337) 0.373 27.742 ( -0.622 -0.700 0.532) 1.076 49.673 ( -0.873 0.085 -4.682) 4.763 49.936 ( 9.784 -5.333 -10.844) 15.549 50.235 ( -11.836 9.521 2.798) 15.445 51.198 ( -1.118 4.976 2.724) 5.782 51.587 ( 14.589 -6.467 13.479) 20.889 51.850 ( -3.638 -4.548 -9.054) 10.766 60.441 ( 1.972 -2.571 -0.492) 3.277 60.745 ( -2.513 1.584 0.112) 2.973 60.791 ( 0.543 1.880 -0.174) 1.965 60.920 ( 1.597 -1.890 -0.303) 2.493 61.061 ( -2.239 -0.419 -0.210) 2.287 61.095 ( 1.493 1.351 0.305) 2.036 ======================= Grid point 295 (66/84) ======================= q-point: (-0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -5.382 -2.178 -4.584) 7.397 1.457 ( -5.299 1.525 6.973) 8.890 1.531 ( 0.600 0.592 -5.732) 5.793 1.861 ( -4.759 2.623 -0.241) 5.439 1.871 ( -8.449 0.099 -7.643) 11.393 2.082 ( -3.982 0.209 4.136) 5.745 2.180 ( -4.911 4.367 0.193) 6.574 2.527 ( 1.180 -1.435 2.175) 2.861 2.720 ( 3.881 -2.966 -4.416) 6.585 2.940 ( -5.658 0.134 2.358) 6.131 3.256 ( -0.328 -4.703 -0.669) 4.761 3.640 ( -2.562 1.367 -0.045) 2.904 3.764 ( -1.902 0.737 -0.234) 2.054 4.081 ( 3.403 -4.022 3.731) 6.456 4.097 ( 8.776 4.538 -0.558) 9.896 11.651 ( -0.684 0.866 -1.702) 2.028 11.819 ( -1.586 -1.223 -0.758) 2.141 11.981 ( 2.342 -0.197 0.764) 2.471 12.084 ( -1.544 0.565 2.406) 2.914 15.991 ( -1.551 0.952 0.179) 1.829 16.089 ( -1.670 -1.081 -0.165) 1.996 20.810 ( -0.658 0.008 -0.282) 0.716 20.955 ( 3.036 0.162 0.388) 3.065 22.906 ( -1.079 1.173 -0.729) 1.752 22.922 ( -1.247 -1.440 -0.096) 1.907 22.992 ( 0.188 0.331 0.178) 0.420 23.035 ( -1.361 0.088 0.407) 1.423 23.450 ( -1.356 0.328 -0.247) 1.416 23.491 ( -1.363 -0.503 -1.347) 1.982 23.524 ( -0.253 -0.045 -0.237) 0.350 23.666 ( -1.831 -0.432 0.538) 1.957 24.722 ( -1.367 0.054 0.934) 1.656 24.827 ( 1.215 -0.048 0.380) 1.273 26.486 ( -1.193 0.169 -0.037) 1.205 26.503 ( -0.886 0.050 0.139) 0.898 27.578 ( -2.206 0.828 -0.180) 2.363 27.610 ( -2.043 -1.184 -0.288) 2.379 27.675 ( -1.294 0.286 -0.038) 1.325 27.710 ( -2.313 -0.771 0.475) 2.483 49.714 ( 2.515 4.965 -2.920) 6.286 50.047 ( -0.417 3.752 -4.295) 5.719 50.120 ( 1.925 -7.080 -6.554) 9.838 51.210 ( 1.800 -1.138 3.750) 4.313 51.627 ( -5.872 -6.204 -0.875) 8.587 51.935 ( 14.754 5.102 4.317) 16.197 60.465 ( 2.842 -0.858 0.101) 2.971 60.723 ( -1.756 1.452 1.246) 2.597 60.827 ( 1.350 2.172 -0.263) 2.571 60.932 ( 1.661 -1.391 -0.579) 2.242 61.015 ( -2.740 -0.317 -0.559) 2.814 61.126 ( 1.118 0.328 0.388) 1.228 ======================= Grid point 303 (67/84) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 1.996 4.986 -4.756) 7.174 1.472 ( -2.527 1.213 2.270) 3.607 1.533 ( 1.351 -3.554 -2.077) 4.332 1.963 ( 3.125 4.143 -0.950) 5.276 2.043 ( 4.462 9.054 -3.200) 10.589 2.089 ( -0.994 0.543 4.930) 5.058 2.350 ( 4.235 7.436 -3.623) 9.292 2.503 ( 2.666 -3.427 1.560) 4.614 2.619 ( -4.798 -2.120 -5.547) 7.634 3.050 ( 5.490 1.736 2.579) 6.309 3.186 ( -4.684 -1.406 0.364) 4.904 3.685 ( 0.320 2.651 0.612) 2.739 3.807 ( 1.710 1.862 -0.232) 2.538 3.962 ( -7.267 0.552 3.389) 8.037 4.025 ( 2.365 -9.569 0.333) 9.863 11.670 ( 0.456 0.802 -1.787) 2.011 11.839 ( 0.691 1.455 -0.422) 1.665 11.936 ( -1.319 -2.478 0.308) 2.823 12.111 ( 0.627 1.014 2.587) 2.849 16.027 ( 0.972 1.704 0.085) 1.964 16.097 ( -0.034 -0.084 -0.134) 0.162 20.826 ( 0.614 1.061 -0.068) 1.227 20.908 ( -1.284 -2.236 0.291) 2.595 22.928 ( -0.351 1.355 -0.179) 1.412 22.935 ( 1.389 0.258 -0.477) 1.491 22.982 ( -0.531 -0.816 -0.205) 0.995 23.058 ( 0.508 0.907 0.678) 1.242 23.477 ( 0.955 1.087 -0.534) 1.542 23.505 ( 0.060 0.873 -1.001) 1.330 23.524 ( -0.081 -0.210 -0.711) 0.746 23.686 ( 0.387 0.623 0.758) 1.054 24.748 ( 0.885 1.195 0.673) 1.632 24.805 ( -0.768 -1.007 0.394) 1.326 26.505 ( 0.472 0.784 -0.010) 0.915 26.515 ( 0.248 0.458 0.109) 0.533 27.623 ( 1.602 1.331 -0.237) 2.096 27.632 ( 0.164 1.864 -0.234) 1.886 27.684 ( -0.127 -0.268 -0.094) 0.311 27.734 ( 0.486 0.761 0.521) 1.043 49.713 ( 2.601 -4.024 -6.372) 7.972 49.834 ( -8.366 -4.954 -11.125) 14.774 50.383 ( 10.584 13.462 4.793) 17.783 51.162 ( -3.650 3.041 7.409) 8.802 51.505 ( -8.626 -10.525 9.844) 16.796 51.859 ( 3.127 -3.512 -9.804) 10.874 60.418 ( -0.903 -2.086 -0.686) 2.375 60.761 ( 1.163 1.561 0.304) 1.971 60.823 ( -0.087 -1.020 -0.723) 1.253 60.891 ( -1.255 -1.432 -0.219) 1.917 61.054 ( 0.906 2.008 -0.105) 2.205 61.109 ( -0.475 -0.991 0.368) 1.159 ======================= Grid point 304 (68/84) ======================= q-point: ( 0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -1.816 3.491 -4.909) 6.291 1.451 ( 1.712 -0.949 -5.259) 5.612 1.510 ( -0.111 -1.872 5.421) 5.736 2.015 ( -2.563 3.587 -0.252) 4.416 2.081 ( 0.944 -0.278 3.549) 3.683 2.141 ( -2.556 4.748 -1.479) 5.591 2.413 ( -4.374 9.088 -2.074) 10.297 2.512 ( -2.545 -3.805 -4.904) 6.709 2.574 ( 5.172 -2.873 -2.501) 6.424 3.095 ( -2.887 -1.515 2.640) 4.195 3.144 ( 5.101 -2.667 0.819) 5.814 3.707 ( -0.645 2.055 0.497) 2.210 3.852 ( -1.763 1.469 1.337) 2.656 3.882 ( 0.256 2.658 0.573) 2.731 3.988 ( 2.582 -6.780 2.166) 7.571 11.678 ( -0.492 0.853 -1.832) 2.080 11.862 ( -0.392 0.844 -0.309) 0.981 11.902 ( 1.044 -1.955 0.145) 2.221 12.122 ( -0.348 0.583 2.671) 2.756 16.047 ( -1.229 2.135 0.031) 2.464 16.093 ( 0.903 -1.572 -0.102) 1.815 20.843 ( -0.640 1.111 0.060) 1.284 20.879 ( 0.855 -1.487 0.210) 1.728 22.933 ( -0.577 1.259 -0.274) 1.412 22.953 ( 0.076 -0.648 0.104) 0.661 22.967 ( 0.362 -0.387 -0.734) 0.906 23.067 ( -0.279 0.487 0.751) 0.937 23.493 ( -0.732 0.888 -0.629) 1.312 23.512 ( 0.578 -0.097 -0.446) 0.737 23.519 ( -0.221 -0.109 -1.364) 1.386 23.692 ( 0.020 -0.046 0.862) 0.863 24.766 ( -0.572 0.763 0.608) 1.131 24.789 ( 0.530 -0.694 0.382) 0.953 26.514 ( -0.298 0.500 0.016) 0.582 26.519 ( -0.059 0.116 0.084) 0.154 27.637 ( -1.129 1.665 -0.332) 2.039 27.661 ( 0.273 0.367 0.139) 0.478 27.670 ( 0.204 -0.883 -0.439) 1.007 27.741 ( 0.088 -0.169 0.580) 0.610 49.696 ( -2.182 -0.537 -7.963) 8.274 49.757 ( 4.750 -3.674 -9.946) 11.618 50.561 ( -8.852 13.000 6.439) 16.994 51.217 ( 5.840 3.146 7.375) 9.919 51.289 ( 2.509 -13.582 8.900) 16.431 51.867 ( -0.643 -0.561 -9.694) 9.732 60.399 ( 0.646 -1.263 -0.949) 1.707 60.790 ( -0.676 1.261 -0.561) 1.537 60.802 ( -0.681 0.688 -0.394) 1.045 60.874 ( 1.228 -1.869 0.035) 2.237 61.082 ( -0.032 0.573 0.122) 0.587 61.092 ( -0.272 0.024 0.263) 0.379 ======================= Grid point 399 (69/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 -0.000 0.000) 0.000 0.953 ( 0.000 0.000 0.000) 0.000 0.967 ( 0.000 -0.000 -0.000) 0.000 0.967 ( 0.000 0.000 -0.000) 0.000 1.546 ( 0.000 -0.000 -0.000) 0.000 1.890 ( -0.000 -0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 -0.000 0.000) 0.000 3.325 ( -0.000 -0.000 0.000) 0.000 3.671 ( 0.000 -0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 -0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 11.637 ( 0.000 -0.000 0.000) 0.000 11.637 ( 0.000 0.000 0.000) 0.000 12.069 ( 0.000 0.000 0.000) 0.000 12.069 ( 0.000 0.000 0.000) 0.000 15.860 ( 0.000 -0.000 0.000) 0.000 15.937 ( -0.000 0.000 0.000) 0.000 20.823 ( 0.000 0.000 0.000) 0.000 21.166 ( 0.000 0.000 0.000) 0.000 22.832 ( 0.000 -0.000 0.000) 0.000 22.832 ( 0.000 0.000 0.000) 0.000 22.866 ( 0.000 -0.000 0.000) 0.000 22.866 ( 0.000 0.000 0.000) 0.000 23.423 ( 0.000 -0.000 0.000) 0.000 23.423 ( 0.000 0.000 0.000) 0.000 23.451 ( 0.000 0.000 0.000) 0.000 23.451 ( 0.000 0.000 0.000) 0.000 24.844 ( 0.000 -0.000 0.000) 0.000 24.923 ( -0.000 -0.000 0.000) 0.000 26.399 ( -0.000 0.000 0.000) 0.000 26.430 ( 0.000 0.000 0.000) 0.000 27.445 ( 0.000 0.000 0.000) 0.000 27.445 ( 0.000 0.000 0.000) 0.000 27.489 ( 0.000 0.000 0.000) 0.000 27.489 ( 0.000 0.000 0.000) 0.000 49.614 ( -0.000 -0.000 0.000) 0.000 49.614 ( 0.000 -0.000 0.000) 0.000 51.272 ( 0.000 0.000 0.000) 0.000 51.272 ( 0.000 0.000 0.000) 0.000 52.037 ( 0.000 -0.000 0.000) 0.000 52.390 ( 0.000 0.000 0.000) 0.000 60.564 ( 0.000 0.000 0.000) 0.000 60.564 ( 0.000 0.000 0.000) 0.000 60.836 ( 0.000 -0.000 0.000) 0.000 60.987 ( 0.000 -0.000 0.000) 0.000 60.987 ( 0.000 0.000 0.000) 0.000 61.029 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 401 (70/84) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.127 0.073 13.855) 13.856 0.940 ( 3.098 1.789 -13.662) 14.123 1.120 ( 8.632 4.983 -11.942) 15.554 1.126 ( 7.689 4.439 13.982) 16.562 1.643 ( 8.629 4.982 -2.974) 10.398 1.934 ( 3.465 2.000 1.556) 4.292 1.941 ( -0.486 -0.281 0.686) 0.886 2.040 ( 7.984 4.609 -0.414) 9.228 2.969 ( -12.636 -7.296 0.011) 14.591 3.061 ( -8.706 -5.027 0.199) 10.055 3.636 ( -6.795 -3.923 -0.107) 7.847 3.656 ( -1.231 -0.711 0.418) 1.482 3.725 ( 0.218 0.126 -0.492) 0.552 3.914 ( 11.955 6.902 0.815) 13.829 4.389 ( 0.357 0.206 -0.753) 0.859 11.634 ( -0.265 -0.153 0.064) 0.313 11.655 ( 1.527 0.881 -0.048) 1.763 12.067 ( -0.174 -0.100 -0.049) 0.207 12.068 ( -0.047 -0.027 0.038) 0.066 15.883 ( 1.922 1.110 0.020) 2.219 15.940 ( 0.247 0.142 -0.020) 0.286 20.816 ( -0.521 -0.301 -0.003) 0.602 21.150 ( -1.375 -0.794 0.001) 1.587 22.828 ( -0.084 -0.049 0.695) 0.702 22.842 ( 1.075 0.620 -0.531) 1.350 22.883 ( 1.243 0.718 -0.669) 1.583 22.900 ( 2.557 1.477 0.486) 2.993 23.418 ( -0.274 -0.158 -0.713) 0.779 23.418 ( -0.182 -0.105 0.596) 0.632 23.463 ( 0.925 0.534 0.673) 1.263 23.475 ( 1.938 1.119 -0.525) 2.299 24.809 ( -2.671 -1.542 -0.018) 3.084 24.912 ( -0.905 -0.522 0.012) 1.045 26.407 ( 0.632 0.365 -0.004) 0.730 26.437 ( 0.589 0.340 0.003) 0.680 27.452 ( 0.687 0.397 -0.186) 0.815 27.464 ( 1.638 0.946 0.197) 1.901 27.501 ( 1.044 0.603 0.190) 1.220 27.510 ( 1.828 1.056 -0.193) 2.120 49.619 ( 0.440 0.254 -2.347) 2.402 49.728 ( 9.440 5.450 2.620) 11.211 50.911 ( -22.681 -13.095 -0.651) 26.198 51.245 ( -2.313 -1.336 2.148) 3.428 52.191 ( -15.549 -8.977 0.250) 17.956 52.299 ( 13.867 8.006 -1.282) 16.064 60.564 ( 0.004 0.002 0.158) 0.158 60.617 ( 3.763 2.172 -0.858) 4.429 60.840 ( 0.567 0.327 0.270) 0.708 60.987 ( -0.019 -0.011 -0.059) 0.063 60.989 ( -0.342 -0.197 -0.130) 0.416 61.050 ( 1.883 1.087 -0.001) 2.174 ======================= Grid point 403 (71/84) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 4.092 2.363 10.540) 11.550 1.042 ( 4.738 2.735 -7.188) 9.033 1.291 ( 8.001 4.619 12.191) 15.296 1.326 ( 9.409 5.432 -8.690) 13.912 1.847 ( 6.295 3.635 -11.570) 13.664 1.927 ( -0.714 -0.412 1.162) 1.424 2.005 ( 2.417 1.396 6.033) 6.647 2.300 ( 14.785 8.536 1.415) 17.131 2.716 ( -4.934 -2.849 0.445) 5.715 2.918 ( -6.504 -3.755 0.088) 7.510 3.458 ( -8.346 -4.819 -0.405) 9.646 3.621 ( -1.788 -1.032 0.595) 2.148 3.728 ( 0.032 0.018 -0.711) 0.712 4.090 ( 3.280 1.894 4.971) 6.250 4.390 ( -0.112 -0.065 -4.780) 4.781 11.626 ( -0.449 -0.259 0.104) 0.529 11.702 ( 2.555 1.475 -0.003) 2.950 12.061 ( -0.341 -0.197 -0.076) 0.401 12.066 ( -0.118 -0.068 -0.008) 0.136 15.934 ( 1.651 0.953 0.271) 1.926 15.955 ( 1.938 1.119 -0.275) 2.255 20.804 ( -0.472 -0.273 -0.021) 0.546 21.107 ( -2.399 -1.385 0.006) 2.770 22.832 ( 0.451 0.260 0.680) 0.857 22.877 ( 1.849 1.068 -0.417) 2.176 22.914 ( 1.499 0.865 -0.657) 1.851 22.962 ( 2.629 1.518 0.310) 3.051 23.415 ( 0.069 0.040 -0.731) 0.736 23.420 ( 0.382 0.221 0.582) 0.730 23.486 ( 1.041 0.601 0.684) 1.383 23.531 ( 2.906 1.678 -0.385) 3.378 24.749 ( -2.204 -1.272 -0.115) 2.547 24.888 ( -1.151 -0.664 0.093) 1.332 26.426 ( 1.017 0.587 -0.023) 1.175 26.454 ( 0.920 0.531 0.017) 1.062 27.475 ( 1.319 0.762 -0.277) 1.549 27.514 ( 2.725 1.573 0.287) 3.160 27.533 ( 1.745 1.007 0.291) 2.036 27.567 ( 3.130 1.807 -0.272) 3.625 49.633 ( 0.840 0.485 -4.115) 4.228 49.976 ( 10.684 6.168 3.803) 12.910 50.459 ( -15.956 -9.212 2.269) 18.564 51.173 ( -3.988 -2.302 3.786) 5.961 51.790 ( -17.502 -10.105 1.574) 20.271 52.507 ( 3.920 2.263 -4.432) 6.335 60.565 ( 0.107 0.062 0.217) 0.249 60.685 ( 1.828 1.055 -2.955) 3.632 60.866 ( 1.536 0.887 1.361) 2.236 60.958 ( -2.396 -1.383 -1.063) 2.964 60.985 ( -0.144 -0.083 -0.054) 0.174 61.103 ( 2.380 1.374 0.086) 2.750 ======================= Grid point 405 (72/84) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 5.085 2.936 6.579) 8.818 1.132 ( 3.383 1.953 0.116) 3.908 1.486 ( 8.660 5.000 6.567) 11.964 1.527 ( 8.208 4.739 -5.689) 11.054 1.847 ( -3.945 -2.278 -5.714) 7.308 1.911 ( -0.723 -0.418 1.337) 1.577 2.095 ( 5.029 2.904 1.688) 6.047 2.599 ( 9.120 5.265 -3.065) 10.967 2.770 ( -4.195 -2.422 0.451) 4.864 2.799 ( 9.098 5.253 2.418) 10.780 3.295 ( -5.146 -2.971 -0.164) 5.944 3.579 ( -1.875 -1.083 0.622) 2.253 3.727 ( -0.109 -0.063 -0.742) 0.753 4.070 ( -4.184 -2.416 7.588) 8.996 4.387 ( -0.415 -0.240 -7.061) 7.078 11.615 ( -0.493 -0.285 0.111) 0.580 11.763 ( 2.776 1.602 0.140) 3.208 12.052 ( -0.436 -0.252 -0.076) 0.510 12.063 ( -0.185 -0.107 -0.150) 0.261 15.949 ( 0.398 0.230 0.120) 0.475 16.025 ( 3.423 1.976 -0.129) 3.954 20.798 ( -0.069 -0.040 -0.037) 0.088 21.047 ( -2.839 -1.639 0.003) 3.278 22.847 ( 0.779 0.450 0.501) 1.030 22.919 ( 1.787 1.032 -0.429) 2.108 22.947 ( 1.331 0.769 -0.509) 1.619 23.007 ( 1.324 0.765 0.307) 1.560 23.422 ( 0.488 0.282 -0.610) 0.830 23.437 ( 1.139 0.657 0.475) 1.398 23.507 ( 0.748 0.432 0.587) 1.044 23.599 ( 3.077 1.776 -0.216) 3.559 24.720 ( -0.386 -0.223 -0.277) 0.524 24.863 ( -1.120 -0.647 0.239) 1.315 26.449 ( 1.031 0.595 -0.044) 1.192 26.475 ( 0.907 0.524 0.031) 1.048 27.509 ( 1.639 0.946 -0.284) 1.914 27.575 ( 1.914 1.105 0.308) 2.232 27.580 ( 2.993 1.728 0.249) 3.465 27.643 ( 3.447 1.990 -0.237) 3.987 49.655 ( 1.083 0.625 -4.764) 4.925 50.052 ( -5.051 -2.916 -5.749) 8.190 50.286 ( -0.161 -0.093 13.210) 13.212 51.076 ( -4.502 -2.599 4.416) 6.821 51.507 ( -5.976 -3.450 3.761) 7.859 52.491 ( -4.618 -2.666 -7.089) 8.871 60.569 ( 0.260 0.150 0.170) 0.345 60.698 ( -0.479 -0.277 -3.983) 4.021 60.868 ( -2.829 -1.633 0.418) 3.293 60.925 ( 1.305 0.753 0.049) 1.507 60.980 ( -0.316 -0.182 -0.001) 0.365 61.140 ( 0.702 0.405 0.191) 0.833 ======================= Grid point 407 (73/84) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 3.816 2.203 3.387) 5.558 1.196 ( 2.273 1.312 2.120) 3.373 1.647 ( 5.128 2.961 3.076) 6.673 1.686 ( 5.932 3.425 -3.386) 7.641 1.771 ( -1.902 -1.098 -2.908) 3.644 1.893 ( -0.873 -0.504 1.296) 1.642 2.191 ( 3.321 1.917 1.586) 4.150 2.619 ( -3.662 -2.114 -3.182) 5.291 2.787 ( 2.919 1.685 1.218) 3.584 2.997 ( 6.262 3.615 -3.727) 8.135 3.294 ( 4.933 2.848 3.754) 6.822 3.541 ( -1.451 -0.838 0.472) 1.741 3.724 ( -0.117 -0.068 -0.565) 0.580 3.947 ( -5.764 -3.328 5.509) 8.640 4.361 ( -1.908 -1.101 -5.079) 5.536 11.605 ( -0.379 -0.219 0.084) 0.446 11.820 ( 2.142 1.237 0.255) 2.487 12.043 ( -0.376 -0.217 -0.054) 0.438 12.059 ( -0.201 -0.116 -0.266) 0.353 15.957 ( 0.269 0.155 0.049) 0.314 16.094 ( 2.588 1.494 -0.059) 2.989 20.801 ( 0.362 0.209 -0.029) 0.419 20.986 ( -2.521 -1.455 -0.007) 2.911 22.864 ( 0.688 0.397 0.290) 0.846 22.954 ( 1.280 0.739 -0.429) 1.539 22.972 ( 0.902 0.521 -0.321) 1.090 23.023 ( 0.205 0.118 0.340) 0.414 23.436 ( 0.723 0.418 -0.443) 0.945 23.466 ( 1.283 0.741 0.305) 1.513 23.518 ( 0.253 0.146 0.448) 0.534 23.662 ( 2.322 1.341 -0.091) 2.683 24.727 ( 0.886 0.511 -0.419) 1.105 24.837 ( -1.149 -0.664 0.377) 1.379 26.470 ( 0.729 0.421 -0.044) 0.843 26.493 ( 0.632 0.365 0.031) 0.730 27.544 ( 1.388 0.801 -0.220) 1.618 27.614 ( 1.478 0.853 0.244) 1.724 27.641 ( 2.321 1.340 0.156) 2.684 27.713 ( 2.657 1.534 -0.154) 3.072 49.679 ( 0.976 0.563 -3.893) 4.052 49.944 ( -2.869 -1.656 -5.915) 6.779 50.228 ( -5.665 -3.271 10.404) 12.290 50.982 ( -3.581 -2.068 3.633) 5.504 51.538 ( 7.327 4.230 6.926) 10.934 52.331 ( -8.974 -5.181 -8.250) 13.245 60.576 ( 0.305 0.176 0.086) 0.362 60.670 ( -1.811 -1.045 -3.603) 4.166 60.802 ( -2.371 -1.369 0.048) 2.738 60.972 ( -0.329 -0.190 0.047) 0.382 60.972 ( 2.440 1.409 0.841) 2.941 61.132 ( -1.275 -0.736 0.150) 1.480 ======================= Grid point 409 (74/84) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 1.386 0.800 1.021) 1.899 1.230 ( 0.728 0.420 1.027) 1.327 1.698 ( 0.242 0.140 0.085) 0.293 1.774 ( 1.109 0.640 -0.206) 1.297 1.788 ( 2.995 1.729 -1.642) 3.828 1.869 ( -1.201 -0.694 1.045) 1.737 2.240 ( 1.026 0.592 0.738) 1.395 2.566 ( -0.976 -0.563 -0.886) 1.434 2.785 ( -1.274 -0.735 0.335) 1.508 3.145 ( 5.806 3.352 -4.354) 7.994 3.374 ( 0.394 0.227 4.326) 4.350 3.518 ( -0.551 -0.318 0.175) 0.660 3.722 ( -0.046 -0.027 -0.211) 0.217 3.860 ( -1.529 -0.883 1.721) 2.466 4.316 ( -1.510 -0.872 -1.910) 2.586 11.599 ( -0.142 -0.082 0.031) 0.167 11.854 ( 0.814 0.470 0.144) 0.951 12.037 ( -0.149 -0.086 -0.019) 0.174 12.055 ( -0.097 -0.056 -0.149) 0.187 15.961 ( 0.098 0.057 0.012) 0.114 16.135 ( 0.954 0.551 -0.017) 1.101 20.811 ( 0.344 0.198 -0.009) 0.397 20.942 ( -1.143 -0.660 -0.007) 1.320 22.875 ( 0.267 0.154 0.093) 0.322 22.974 ( 0.507 0.293 -0.219) 0.625 22.986 ( 0.318 0.183 -0.110) 0.383 23.022 ( -0.098 -0.057 0.186) 0.218 23.450 ( 0.403 0.233 -0.186) 0.501 23.488 ( 0.546 0.315 0.104) 0.639 23.520 ( -0.030 -0.017 0.192) 0.195 23.698 ( 0.858 0.495 -0.021) 0.991 24.751 ( 0.882 0.509 -0.325) 1.069 24.813 ( -0.842 -0.486 0.306) 1.019 26.481 ( 0.258 0.149 -0.019) 0.299 26.502 ( 0.223 0.129 0.013) 0.258 27.567 ( 0.548 0.316 -0.085) 0.638 27.638 ( 0.554 0.320 0.095) 0.647 27.678 ( 0.874 0.504 0.052) 1.010 27.755 ( 0.997 0.576 -0.053) 1.152 49.695 ( 0.404 0.233 -1.521) 1.591 49.931 ( 1.089 0.629 -4.586) 4.755 50.091 ( -4.928 -2.845 5.915) 8.208 50.925 ( -1.374 -0.793 1.425) 2.133 51.743 ( 8.641 4.989 6.372) 11.838 52.122 ( -8.303 -4.794 -6.546) 11.608 60.581 ( 0.139 0.080 0.023) 0.162 60.634 ( -1.036 -0.598 -1.408) 1.847 60.768 ( -0.682 -0.394 0.050) 0.790 60.966 ( -0.162 -0.093 0.023) 0.188 61.030 ( 2.594 1.498 0.582) 3.052 61.090 ( -2.301 -1.328 -0.161) 2.662 ======================= Grid point 423 (75/84) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 1.545 2.676 0.000) 3.091 1.056 ( 5.307 9.192 -0.000) 10.615 1.212 ( 3.308 5.730 0.000) 6.616 1.271 ( 4.546 7.874 0.000) 9.093 1.824 ( 6.747 11.687 -0.000) 13.495 1.932 ( -0.219 -0.379 0.000) 0.437 1.991 ( 1.252 2.169 0.000) 2.504 2.195 ( 6.520 11.293 0.000) 13.040 2.758 ( -5.434 -9.413 0.000) 10.869 2.956 ( -3.588 -6.215 0.000) 7.177 3.506 ( -4.986 -8.636 0.000) 9.971 3.640 ( -0.794 -1.376 0.000) 1.589 3.718 ( 0.012 0.021 0.000) 0.025 4.077 ( 4.135 7.163 0.000) 8.271 4.382 ( -0.684 -1.184 -0.000) 1.367 11.630 ( -0.143 -0.248 0.000) 0.287 11.685 ( 1.255 2.174 0.000) 2.511 12.064 ( -0.225 -0.390 0.000) 0.451 12.066 ( 0.010 0.017 0.000) 0.019 15.923 ( 1.666 2.886 0.000) 3.332 15.945 ( 0.254 0.439 0.000) 0.507 20.807 ( -0.309 -0.535 0.000) 0.617 21.121 ( -1.258 -2.178 0.000) 2.515 22.840 ( 0.458 0.792 0.000) 0.915 22.849 ( 0.462 0.800 -0.000) 0.924 22.919 ( 1.314 2.276 0.000) 2.628 22.939 ( 1.445 2.502 -0.000) 2.889 23.415 ( 0.063 0.110 -0.000) 0.127 23.419 ( 0.052 0.090 0.000) 0.104 23.478 ( 0.566 0.980 -0.000) 1.131 23.515 ( 1.574 2.726 0.000) 3.147 24.764 ( -1.489 -2.580 0.000) 2.979 24.895 ( -0.655 -1.135 0.000) 1.311 26.420 ( 0.558 0.967 -0.000) 1.117 26.449 ( 0.506 0.877 0.000) 1.013 27.471 ( 0.815 1.411 0.000) 1.629 27.490 ( 0.990 1.714 0.000) 1.979 27.533 ( 1.470 2.546 0.000) 2.940 27.544 ( 1.418 2.455 -0.000) 2.835 49.646 ( 1.398 2.421 0.000) 2.795 49.891 ( 5.824 10.088 0.000) 11.648 50.550 ( -11.621 -20.129 -0.000) 23.242 51.214 ( -0.994 -1.722 0.000) 1.989 51.905 ( -10.517 -18.216 0.000) 21.034 52.462 ( 3.356 5.812 0.000) 6.711 60.563 ( -0.091 -0.158 -0.000) 0.182 60.675 ( 1.750 3.031 -0.000) 3.500 60.857 ( 0.882 1.528 0.000) 1.765 60.977 ( -0.932 -1.614 -0.000) 1.864 60.977 ( -0.379 -0.656 0.000) 0.757 61.088 ( 1.432 2.481 0.000) 2.864 ======================= Grid point 425 (76/84) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 4.036 3.596 2.768) 6.073 1.203 ( -1.003 12.063 0.460) 12.114 1.385 ( 9.870 5.170 7.714) 13.552 1.426 ( 7.443 4.706 -7.036) 11.271 1.901 ( -3.355 -1.088 -3.156) 4.733 1.964 ( -2.703 4.135 -1.954) 5.313 2.041 ( 5.384 3.789 3.331) 7.379 2.465 ( 12.109 8.154 -0.221) 14.600 2.715 ( 4.080 3.456 0.579) 5.378 2.820 ( -5.041 -6.070 0.223) 7.894 3.337 ( -5.122 -6.718 -0.234) 8.452 3.610 ( -1.747 -0.197 0.380) 1.799 3.725 ( 0.549 0.153 -0.396) 0.694 4.139 ( -2.945 2.328 5.295) 6.491 4.353 ( 0.827 -4.034 -5.117) 6.568 11.625 ( -0.464 0.112 0.063) 0.482 11.735 ( 2.210 1.849 0.043) 2.882 12.051 ( -0.506 -0.920 -0.044) 1.051 12.070 ( 0.067 0.531 -0.048) 0.537 15.953 ( 0.014 1.041 0.124) 1.048 15.991 ( 2.930 2.419 -0.128) 3.801 20.799 ( -0.172 -0.189 -0.018) 0.256 21.069 ( -2.092 -2.448 0.003) 3.220 22.851 ( -0.129 1.511 0.548) 1.612 22.881 ( 2.342 0.072 -0.500) 2.395 22.957 ( 0.327 2.697 -0.401) 2.747 22.987 ( 1.897 1.036 0.287) 2.181 23.421 ( 0.104 0.578 -0.628) 0.860 23.427 ( 0.787 0.589 0.549) 1.126 23.498 ( 0.775 0.688 0.341) 1.091 23.575 ( 2.307 2.652 -0.145) 3.518 24.725 ( -0.779 -0.919 -0.117) 1.211 24.872 ( -0.852 -0.975 0.099) 1.299 26.442 ( 0.816 1.044 -0.021) 1.325 26.468 ( 0.722 0.898 0.015) 1.152 27.502 ( 0.902 1.938 -0.243) 2.152 27.532 ( 2.457 0.981 0.243) 2.657 27.584 ( 1.062 3.425 0.285) 3.597 27.607 ( 3.120 2.302 -0.266) 3.886 49.698 ( -0.633 6.156 -3.510) 7.115 50.052 ( 3.956 0.703 -0.222) 4.024 50.225 ( -5.105 -13.474 5.054) 15.269 51.187 ( -3.551 3.997 2.741) 6.008 51.576 ( -9.359 -10.635 1.602) 14.257 52.483 ( -1.001 -5.278 -3.668) 6.505 60.555 ( -0.026 -1.225 -0.046) 1.226 60.714 ( 0.075 1.565 -1.871) 2.440 60.893 ( 0.271 1.773 1.087) 2.097 60.926 ( -1.854 -1.601 -0.977) 2.637 60.969 ( 0.472 -1.437 0.055) 1.514 61.130 ( 1.088 1.160 0.088) 1.593 ======================= Grid point 427 (77/84) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 4.187 3.114 2.754) 5.900 1.279 ( -2.896 10.485 1.970) 11.054 1.547 ( 6.145 2.152 3.553) 7.417 1.634 ( 8.613 5.373 -4.028) 10.922 1.820 ( -3.479 -0.092 -2.084) 4.057 1.961 ( -3.096 5.952 0.929) 6.773 2.151 ( 3.634 2.541 1.117) 4.573 2.636 ( -0.023 -2.022 -5.317) 5.689 2.723 ( 2.737 -1.779 3.246) 4.604 2.897 ( 9.253 4.116 -0.623) 10.146 3.249 ( 0.810 -1.246 1.250) 1.942 3.582 ( -2.122 1.512 0.573) 2.667 3.737 ( 0.050 1.165 -0.574) 1.300 4.041 ( -8.048 -1.034 6.322) 10.287 4.331 ( 1.522 -5.450 -5.924) 8.192 11.618 ( -0.718 0.528 0.073) 0.894 11.791 ( 2.488 1.154 0.168) 2.747 12.030 ( -0.418 -1.728 -0.101) 1.781 12.078 ( -0.200 1.367 -0.123) 1.387 15.963 ( -0.137 1.190 0.062) 1.199 16.062 ( 2.912 1.714 -0.070) 3.380 20.799 ( 0.176 0.221 -0.026) 0.283 21.008 ( -2.284 -2.350 -0.002) 3.277 22.866 ( 0.131 1.371 0.378) 1.429 22.921 ( 2.248 -0.035 -0.426) 2.288 22.982 ( -0.069 1.805 -0.375) 1.844 23.018 ( 0.865 0.510 0.324) 1.055 23.432 ( 0.415 0.749 -0.464) 0.974 23.453 ( 1.219 0.999 0.363) 1.617 23.514 ( 0.448 0.366 0.386) 0.695 23.637 ( 2.302 1.976 -0.104) 3.036 24.721 ( 0.430 0.348 -0.279) 0.619 24.848 ( -0.946 -0.868 0.246) 1.308 26.465 ( 0.678 0.985 -0.037) 1.196 26.488 ( 0.602 0.787 0.026) 0.991 27.537 ( 0.961 1.857 -0.254) 2.107 27.585 ( 2.581 0.778 0.265) 2.709 27.633 ( 1.095 2.676 0.197) 2.898 27.681 ( 2.971 1.936 -0.185) 3.551 49.721 ( -3.370 4.619 -5.104) 7.664 49.992 ( -3.614 -1.544 -4.414) 5.910 50.150 ( 3.939 -11.670 9.883) 15.791 51.139 ( -8.907 6.549 4.328) 11.873 51.470 ( 3.304 0.531 4.599) 5.688 52.349 ( -4.163 -11.910 -6.739) 14.303 60.539 ( 0.602 -3.040 -0.443) 3.131 60.715 ( -1.507 1.550 -2.306) 3.161 60.841 ( -3.510 -1.060 -0.335) 3.682 60.948 ( 1.366 0.703 0.960) 1.812 60.968 ( 0.936 -0.032 -0.154) 0.950 61.141 ( -0.372 -0.312 0.146) 0.506 ======================= Grid point 429 (78/84) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 2.868 2.556 1.905) 4.288 1.305 ( -3.870 6.808 1.181) 7.920 1.633 ( 3.573 -1.697 0.372) 3.973 1.770 ( 2.377 4.024 -1.128) 4.808 1.816 ( -0.475 4.732 -0.779) 4.819 1.972 ( -4.352 8.815 0.575) 9.847 2.214 ( 2.288 0.194 1.161) 2.573 2.564 ( -1.584 -3.363 -2.168) 4.303 2.755 ( 2.015 -4.404 1.168) 4.982 3.062 ( 7.292 3.470 -4.891) 9.441 3.313 ( 4.709 -1.580 4.214) 6.514 3.571 ( -2.349 3.630 0.904) 4.417 3.748 ( -0.807 2.395 -0.753) 2.637 3.898 ( -5.594 -1.911 3.538) 6.889 4.293 ( 0.646 -5.586 -3.355) 6.548 11.612 ( -0.765 0.866 0.046) 1.156 11.836 ( 1.832 0.518 0.205) 1.914 12.007 ( 0.211 -2.506 -0.125) 2.518 12.087 ( -0.712 2.026 -0.115) 2.151 15.971 ( -0.416 1.292 0.023) 1.357 16.115 ( 1.947 0.569 -0.030) 2.028 20.808 ( 0.384 0.532 -0.015) 0.657 20.953 ( -1.585 -1.844 -0.008) 2.431 22.879 ( -0.013 1.074 0.183) 1.089 22.954 ( 1.710 -0.067 -0.315) 1.740 22.988 ( -0.313 0.211 -0.116) 0.394 23.031 ( -0.061 0.982 0.174) 0.999 23.448 ( 0.437 0.780 -0.309) 0.946 23.481 ( 0.886 0.787 0.213) 1.204 23.520 ( 0.005 0.019 0.270) 0.271 23.685 ( 1.478 0.942 -0.039) 1.753 24.740 ( 1.009 0.793 -0.363) 1.334 24.823 ( -0.995 -0.795 0.335) 1.316 26.482 ( 0.240 0.817 -0.029) 0.852 26.502 ( 0.251 0.589 0.021) 0.641 27.566 ( 0.496 1.432 -0.159) 1.524 27.628 ( 1.460 0.798 0.188) 1.674 27.669 ( 0.834 1.138 0.077) 1.413 27.737 ( 1.870 0.933 -0.092) 2.092 49.691 ( -1.396 -0.802 -3.741) 4.073 49.963 ( -0.262 -0.070 -1.378) 1.405 50.080 ( -1.747 -4.113 4.230) 6.153 51.056 ( -7.971 7.331 3.243) 11.305 51.623 ( 9.743 4.172 7.314) 12.878 52.139 ( -4.960 -14.377 -8.037) 17.202 60.519 ( 1.478 -4.438 -0.603) 4.716 60.701 ( -2.370 2.737 -1.480) 3.911 60.787 ( -2.008 -0.218 -0.000) 2.020 60.953 ( 0.672 -1.514 0.202) 1.668 61.011 ( 1.874 2.305 0.524) 3.017 61.115 ( -1.835 -0.946 -0.011) 2.064 ======================= Grid point 431 (79/84) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.519 0.899 0.000) 1.038 1.298 ( -3.160 5.473 0.000) 6.320 1.650 ( 1.773 -3.071 0.000) 3.546 1.813 ( -2.085 3.612 0.000) 4.171 1.839 ( -1.862 3.224 0.000) 3.723 1.979 ( -5.684 9.845 0.000) 11.368 2.233 ( 0.726 -1.257 0.000) 1.452 2.536 ( 1.327 -2.299 0.000) 2.655 2.742 ( 1.995 -3.456 0.000) 3.990 3.170 ( 0.627 -1.086 0.000) 1.254 3.327 ( 2.279 -3.947 -0.000) 4.558 3.566 ( -2.518 4.362 0.000) 5.037 3.752 ( -1.626 2.816 0.000) 3.252 3.847 ( 0.249 -0.431 0.000) 0.498 4.266 ( 2.387 -4.134 0.000) 4.773 11.609 ( -0.619 1.072 0.000) 1.237 11.856 ( 0.158 -0.274 0.000) 0.316 11.995 ( 1.442 -2.497 0.000) 2.884 12.091 ( -1.223 2.119 0.000) 2.446 15.974 ( -0.709 1.227 0.000) 1.417 16.135 ( 0.336 -0.582 0.000) 0.672 20.816 ( -0.191 0.331 0.000) 0.383 20.929 ( 0.413 -0.715 0.000) 0.825 22.884 ( -0.435 0.754 0.000) 0.870 22.975 ( 0.110 -0.191 0.000) 0.221 22.979 ( 0.386 -0.669 -0.000) 0.772 23.035 ( -0.643 1.113 0.000) 1.285 23.456 ( -0.244 0.423 0.000) 0.489 23.493 ( -0.134 0.232 0.000) 0.268 23.519 ( 0.047 -0.081 0.000) 0.093 23.702 ( 0.053 -0.092 0.000) 0.106 24.757 ( -0.086 0.149 0.000) 0.172 24.807 ( 0.077 -0.134 0.000) 0.155 26.488 ( -0.314 0.544 0.000) 0.629 26.507 ( -0.196 0.340 0.000) 0.392 27.578 ( -0.474 0.821 0.000) 0.947 27.645 ( -0.234 0.406 0.000) 0.468 27.681 ( 0.085 -0.148 0.000) 0.170 27.758 ( 0.138 -0.240 0.000) 0.277 49.675 ( 1.009 -1.748 0.000) 2.018 49.958 ( 5.149 -8.918 0.000) 10.298 50.045 ( -5.853 10.138 0.000) 11.706 51.024 ( -5.317 9.208 0.000) 10.633 51.785 ( 0.878 -1.520 -0.000) 1.756 51.970 ( 5.608 -9.713 0.000) 11.216 60.509 ( 2.549 -4.416 0.000) 5.099 60.694 ( -2.151 3.726 0.000) 4.302 60.769 ( -0.280 0.484 0.000) 0.559 60.951 ( 0.804 -1.393 0.000) 1.608 61.062 ( -0.496 0.859 0.000) 0.992 61.070 ( -0.108 0.188 0.000) 0.217 ======================= Grid point 449 (80/84) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 2.770 4.799 0.000) 5.541 1.411 ( 3.046 5.276 -0.000) 6.092 1.516 ( 2.775 4.807 -0.000) 5.550 1.525 ( 6.536 11.320 0.000) 13.072 1.853 ( -1.202 -2.082 -0.000) 2.404 2.040 ( 2.511 4.349 -0.000) 5.022 2.131 ( 2.219 3.843 0.000) 4.438 2.600 ( 2.568 4.449 0.000) 5.137 2.697 ( -3.499 -6.060 -0.000) 6.998 2.830 ( 4.449 7.705 0.000) 8.897 3.237 ( -1.592 -2.758 0.000) 3.185 3.613 ( 0.349 0.604 0.000) 0.697 3.739 ( 0.668 1.157 0.000) 1.336 4.152 ( -1.203 -2.083 0.000) 2.405 4.245 ( -3.273 -5.670 -0.000) 6.547 11.629 ( 0.160 0.278 0.000) 0.321 11.772 ( 1.115 1.931 0.000) 2.230 12.026 ( -0.962 -1.666 0.000) 1.923 12.086 ( 0.651 1.128 0.000) 1.302 15.974 ( 0.616 1.067 -0.000) 1.233 16.042 ( 1.533 2.656 0.000) 3.067 20.799 ( 0.119 0.205 0.000) 0.237 21.016 ( -1.707 -2.956 0.000) 3.414 22.884 ( 0.736 1.275 0.000) 1.472 22.889 ( 0.654 1.133 -0.000) 1.309 22.999 ( 0.202 0.349 0.000) 0.403 23.006 ( 1.136 1.968 -0.000) 2.273 23.434 ( 0.402 0.696 0.000) 0.803 23.447 ( 0.784 1.358 0.000) 1.568 23.512 ( 0.364 0.631 0.000) 0.729 23.627 ( 1.508 2.612 0.000) 3.016 24.719 ( 0.157 0.271 0.000) 0.313 24.852 ( -0.627 -1.086 0.000) 1.254 26.464 ( 0.693 1.201 -0.000) 1.387 26.487 ( 0.562 0.973 0.000) 1.124 27.544 ( 1.231 2.133 0.000) 2.463 27.559 ( 1.096 1.898 0.000) 2.192 27.644 ( 1.280 2.216 0.000) 2.559 27.659 ( 1.829 3.167 0.000) 3.657 49.826 ( 1.676 2.904 0.000) 3.353 49.998 ( -3.403 -5.895 0.000) 6.807 50.017 ( -1.978 -3.425 -0.000) 3.955 51.271 ( 0.508 0.879 0.000) 1.015 51.444 ( 0.129 0.224 0.000) 0.259 52.309 ( -6.980 -12.090 0.000) 13.961 60.518 ( -1.406 -2.435 -0.000) 2.812 60.735 ( 0.346 0.599 0.000) 0.691 60.875 ( -1.414 -2.448 -0.000) 2.827 60.941 ( -0.679 -1.177 0.000) 1.359 60.952 ( 1.638 2.838 0.000) 3.277 61.142 ( -0.014 -0.023 0.000) 0.027 ======================= Grid point 451 (81/84) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 2.868 4.153 0.911) 5.129 1.433 ( -3.436 3.173 0.285) 4.686 1.580 ( 1.909 0.703 1.037) 2.283 1.766 ( 6.524 10.668 -1.211) 12.564 1.861 ( 0.718 4.003 -0.187) 4.071 2.125 ( -1.024 9.667 1.118) 9.785 2.181 ( 1.561 0.414 -0.182) 1.625 2.572 ( -3.893 -3.174 -3.606) 6.184 2.651 ( 3.462 -5.610 2.922) 7.211 2.987 ( 5.919 5.213 -2.049) 8.149 3.231 ( 2.212 -1.338 1.692) 3.090 3.633 ( -0.393 3.360 0.564) 3.430 3.766 ( 0.926 1.708 -0.379) 1.979 4.024 ( -9.927 -0.710 3.910) 10.693 4.188 ( 3.215 -8.841 -3.871) 10.173 11.634 ( -0.386 1.015 0.020) 1.086 11.810 ( 1.720 1.008 0.096) 1.996 11.989 ( -0.929 -2.447 -0.065) 2.618 12.109 ( 0.305 1.695 -0.046) 1.723 15.993 ( -0.063 1.786 0.017) 1.787 16.088 ( 1.763 0.894 -0.020) 1.977 20.808 ( 0.404 0.682 -0.008) 0.793 20.959 ( -1.680 -2.593 -0.003) 3.089 22.896 ( -0.394 1.685 0.255) 1.749 22.923 ( 1.937 0.231 -0.302) 1.974 22.995 ( -0.451 -0.336 -0.048) 0.564 23.039 ( 0.611 1.531 0.058) 1.649 23.450 ( 0.459 1.048 -0.211) 1.163 23.474 ( 0.934 1.110 0.176) 1.461 23.520 ( 0.076 0.137 0.125) 0.200 23.672 ( 1.319 1.471 -0.024) 1.976 24.734 ( 0.762 0.952 -0.150) 1.229 24.830 ( -0.791 -1.006 0.137) 1.288 26.486 ( 0.466 1.116 -0.016) 1.209 26.504 ( 0.382 0.787 0.012) 0.875 27.578 ( 0.311 2.289 -0.194) 2.318 27.605 ( 2.176 1.186 0.211) 2.487 27.674 ( 0.247 1.367 0.063) 1.390 27.715 ( 1.912 1.540 -0.072) 2.456 49.737 ( -5.641 -2.905 -5.067) 8.121 49.880 ( -0.347 -11.550 5.803) 12.930 50.134 ( 3.890 12.702 -1.611) 13.381 51.222 ( -3.967 1.568 2.570) 4.980 51.555 ( 4.176 7.448 4.023) 9.439 52.046 ( -5.371 -18.626 -4.911) 19.997 60.470 ( -0.526 -3.638 -0.334) 3.691 60.742 ( -0.359 1.172 -0.539) 1.339 60.827 ( -2.432 -0.493 -0.296) 2.499 60.923 ( 0.429 -1.936 0.300) 2.006 61.007 ( 1.590 2.602 0.179) 3.054 61.130 ( -0.896 -0.737 0.013) 1.160 ======================= Grid point 453 (82/84) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 1.136 3.287 0.548) 3.521 1.394 ( -3.074 1.680 0.263) 3.513 1.601 ( 1.302 -1.540 -0.215) 2.028 1.900 ( -1.184 6.684 0.120) 6.789 1.930 ( -1.290 9.526 -0.117) 9.614 2.177 ( -2.939 7.477 1.813) 8.236 2.201 ( -0.330 2.026 -1.312) 2.436 2.497 ( -0.740 -3.242 -1.449) 3.628 2.654 ( 3.309 -5.478 0.984) 6.475 3.117 ( 4.873 1.792 -3.290) 6.146 3.241 ( 2.129 -5.195 2.947) 6.341 3.653 ( -1.921 4.243 0.846) 4.734 3.802 ( 0.668 2.957 -0.889) 3.160 3.875 ( -5.949 -0.407 1.553) 6.162 4.160 ( 3.299 -7.694 -1.320) 8.475 11.636 ( -0.786 1.451 0.009) 1.650 11.845 ( 1.176 0.467 0.090) 1.269 11.954 ( 0.146 -2.835 -0.070) 2.840 12.125 ( -0.463 1.714 -0.027) 1.776 16.005 ( -0.840 2.096 0.006) 2.258 16.115 ( 1.197 -0.631 -0.008) 1.353 20.822 ( 0.197 0.947 -0.002) 0.967 20.916 ( -0.517 -1.920 -0.004) 1.989 22.903 ( -0.556 1.368 0.084) 1.479 22.955 ( 1.589 0.089 -0.186) 1.602 22.979 ( -0.673 -0.903 0.068) 1.128 23.056 ( -0.243 1.291 0.013) 1.313 23.465 ( 0.040 1.039 -0.144) 1.050 23.495 ( 0.435 0.636 0.138) 0.783 23.517 ( -0.149 -0.301 0.051) 0.340 23.697 ( 0.584 0.352 -0.008) 0.681 24.757 ( 0.650 0.876 -0.169) 1.104 24.807 ( -0.609 -0.799 0.161) 1.017 26.499 ( -0.101 0.920 -0.010) 0.925 26.514 ( -0.003 0.524 0.008) 0.524 27.598 ( -0.382 1.792 -0.081) 1.834 27.646 ( 1.214 1.018 0.125) 1.590 27.679 ( -0.268 -0.120 -0.014) 0.294 27.748 ( 0.900 0.170 -0.026) 0.916 49.653 ( -1.149 -2.324 -2.511) 3.609 49.790 ( 2.708 -9.978 2.818) 10.716 50.285 ( -4.684 17.284 -1.292) 17.954 51.201 ( -3.792 6.678 2.056) 7.950 51.675 ( 6.726 -1.696 8.949) 11.323 51.811 ( -1.339 -15.790 -9.606) 18.531 60.438 ( 1.026 -3.593 -0.218) 3.743 60.749 ( -0.721 2.184 -0.324) 2.323 60.790 ( -1.727 0.375 -0.053) 1.768 60.916 ( 1.062 -2.205 0.125) 2.450 61.056 ( 1.532 2.076 0.239) 2.591 61.099 ( -1.905 -0.591 -0.117) 1.998 ======================= Grid point 473 (83/84) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 2.356 4.081 0.000) 4.712 1.426 ( -1.339 -2.319 -0.000) 2.678 1.581 ( -0.157 -0.272 0.000) 0.314 1.952 ( 2.821 4.886 0.000) 5.642 2.002 ( 6.311 10.931 0.000) 12.622 2.163 ( -1.061 -1.837 0.000) 2.121 2.298 ( 4.166 7.215 -0.000) 8.331 2.527 ( -2.305 -3.992 0.000) 4.609 2.546 ( -1.140 -1.975 -0.000) 2.281 3.079 ( 2.241 3.882 0.000) 4.482 3.189 ( -1.579 -2.735 0.000) 3.158 3.692 ( 1.274 2.207 0.000) 2.549 3.804 ( 1.446 2.504 0.000) 2.892 4.008 ( -3.049 -5.280 0.000) 6.097 4.018 ( -2.066 -3.579 -0.000) 4.133 11.652 ( 0.438 0.758 0.000) 0.875 11.834 ( 0.871 1.509 0.000) 1.742 11.939 ( -1.502 -2.602 0.000) 3.004 12.138 ( 0.644 1.115 0.000) 1.288 16.028 ( 0.952 1.648 0.000) 1.904 16.096 ( -0.030 -0.052 0.000) 0.060 20.826 ( 0.673 1.165 0.000) 1.346 20.911 ( -1.321 -2.287 0.000) 2.641 22.927 ( 0.467 0.809 0.000) 0.934 22.929 ( 0.567 0.982 -0.000) 1.134 22.981 ( -0.586 -1.015 0.000) 1.172 23.065 ( 0.562 0.973 0.000) 1.124 23.471 ( 0.658 1.139 0.000) 1.315 23.493 ( 0.453 0.785 0.000) 0.906 23.518 ( -0.232 -0.403 0.000) 0.465 23.693 ( 0.424 0.734 0.000) 0.848 24.755 ( 0.692 1.199 0.000) 1.385 24.809 ( -0.631 -1.092 0.000) 1.261 26.505 ( 0.469 0.813 0.000) 0.938 26.516 ( 0.249 0.431 0.000) 0.498 27.620 ( 0.937 1.624 0.000) 1.875 27.629 ( 0.895 1.549 0.000) 1.789 27.684 ( -0.188 -0.326 0.000) 0.376 27.739 ( 0.480 0.832 0.000) 0.960 49.669 ( -2.002 -3.468 0.000) 4.005 49.699 ( -3.565 -6.174 -0.000) 7.130 50.437 ( 9.321 16.144 0.000) 18.642 51.238 ( 0.646 1.119 0.000) 1.292 51.662 ( -11.117 -19.256 -0.000) 22.235 51.694 ( 3.032 5.252 0.000) 6.064 60.411 ( -1.291 -2.236 0.000) 2.582 60.764 ( 0.691 1.196 0.000) 1.382 60.815 ( -0.482 -0.834 0.000) 0.963 60.889 ( -0.806 -1.396 0.000) 1.612 61.053 ( 1.202 2.082 0.000) 2.404 61.113 ( -0.578 -1.001 0.000) 1.156 ======================= Grid point 475 (84/84) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -1.637 2.836 0.000) 3.274 1.387 ( 0.917 -1.588 0.000) 1.834 1.577 ( 0.422 -0.730 0.000) 0.843 2.014 ( -3.012 5.217 0.000) 6.024 2.119 ( -3.910 6.772 0.000) 7.820 2.132 ( 2.221 -3.846 0.000) 4.442 2.387 ( -4.623 8.007 0.000) 9.245 2.453 ( 0.398 -0.690 0.000) 0.797 2.547 ( 3.277 -5.676 0.000) 6.554 3.130 ( 0.223 -0.386 0.000) 0.445 3.146 ( 1.854 -3.211 0.000) 3.707 3.712 ( -0.847 1.467 0.000) 1.694 3.866 ( -1.315 2.278 0.000) 2.630 3.887 ( -1.771 3.068 -0.000) 3.543 4.011 ( 4.165 -7.214 0.000) 8.330 11.660 ( -0.455 0.788 0.000) 0.910 11.859 ( -0.574 0.993 0.000) 1.147 11.903 ( 1.222 -2.116 0.000) 2.443 12.149 ( -0.378 0.654 0.000) 0.756 16.047 ( -1.196 2.072 0.000) 2.392 16.092 ( 0.875 -1.516 0.000) 1.751 20.844 ( -0.679 1.176 0.000) 1.357 20.881 ( 0.885 -1.533 0.000) 1.770 22.930 ( -0.790 1.368 0.000) 1.580 22.954 ( 0.357 -0.619 0.000) 0.715 22.960 ( 0.318 -0.551 0.000) 0.637 23.074 ( -0.303 0.524 0.000) 0.606 23.486 ( -0.568 0.984 0.000) 1.136 23.504 ( -0.097 0.168 0.000) 0.194 23.508 ( 0.341 -0.591 0.000) 0.683 23.700 ( -0.025 0.042 0.000) 0.049 24.773 ( -0.398 0.689 0.000) 0.796 24.793 ( 0.374 -0.648 0.000) 0.748 26.514 ( -0.307 0.531 0.000) 0.614 26.520 ( -0.050 0.087 0.000) 0.101 27.633 ( -1.014 1.757 0.000) 2.029 27.662 ( -0.031 0.054 0.000) 0.062 27.666 ( 0.404 -0.700 0.000) 0.808 27.747 ( 0.079 -0.136 0.000) 0.158 49.621 ( 0.328 -0.568 0.000) 0.655 49.650 ( 2.393 -4.145 -0.000) 4.786 50.634 ( -8.929 15.465 0.000) 17.858 51.289 ( -0.705 1.220 0.000) 1.409 51.390 ( 8.516 -14.751 0.000) 17.033 51.751 ( -0.373 0.646 0.000) 0.746 60.389 ( 0.771 -1.335 0.000) 1.541 60.784 ( -0.663 1.148 0.000) 1.326 60.798 ( -0.286 0.496 0.000) 0.573 60.875 ( 0.951 -1.647 0.000) 1.902 61.083 ( -0.294 0.509 0.000) 0.588 61.094 ( -0.078 0.136 0.000) 0.156 =================== 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 3/37026 10.0 149.238 149.238 182.283 -0.000 -0.000 0.000 3/37026 20.0 36.868 36.868 35.999 0.000 -0.000 0.000 3/37026 30.0 20.939 20.939 19.409 0.000 -0.000 0.000 3/37026 40.0 14.816 14.816 13.381 0.000 -0.000 0.000 3/37026 50.0 11.587 11.587 10.300 0.000 -0.000 0.000 3/37026 60.0 9.576 9.576 8.424 0.000 -0.000 0.000 3/37026 70.0 8.189 8.189 7.153 0.000 -0.000 0.000 3/37026 80.0 7.166 7.166 6.229 0.000 -0.000 0.000 3/37026 90.0 6.376 6.376 5.523 0.000 -0.000 0.000 3/37026 100.0 5.744 5.744 4.963 0.000 -0.000 0.000 3/37026 110.0 5.227 5.227 4.507 0.000 -0.000 0.000 3/37026 120.0 4.794 4.794 4.129 0.000 -0.000 0.000 3/37026 130.0 4.426 4.426 3.809 0.000 -0.000 0.000 3/37026 140.0 4.109 4.109 3.534 0.000 -0.000 0.000 3/37026 150.0 3.834 3.834 3.296 0.000 -0.000 0.000 3/37026 160.0 3.591 3.591 3.087 0.000 -0.000 0.000 3/37026 170.0 3.377 3.377 2.903 0.000 -0.000 0.000 3/37026 180.0 3.185 3.185 2.738 0.000 -0.000 0.000 3/37026 190.0 3.013 3.013 2.591 0.000 -0.000 0.000 3/37026 200.0 2.857 2.857 2.459 0.000 -0.000 0.000 3/37026 210.0 2.716 2.716 2.339 0.000 -0.000 0.000 3/37026 220.0 2.588 2.588 2.229 0.000 -0.000 0.000 3/37026 230.0 2.471 2.471 2.130 0.000 -0.000 0.000 3/37026 240.0 2.363 2.363 2.038 0.000 -0.000 0.000 3/37026 250.0 2.264 2.264 1.954 0.000 -0.000 0.000 3/37026 260.0 2.173 2.173 1.877 0.000 -0.000 0.000 3/37026 270.0 2.088 2.088 1.805 0.000 -0.000 0.000 3/37026 280.0 2.010 2.010 1.739 0.000 -0.000 0.000 3/37026 290.0 1.937 1.937 1.677 0.000 -0.000 0.000 3/37026 300.0 1.869 1.869 1.620 0.000 -0.000 0.000 3/37026 310.0 1.806 1.806 1.566 0.000 -0.000 0.000 3/37026 320.0 1.747 1.747 1.516 0.000 -0.000 0.000 3/37026 330.0 1.692 1.692 1.469 0.000 -0.000 0.000 3/37026 340.0 1.640 1.640 1.425 0.000 -0.000 0.000 3/37026 350.0 1.591 1.591 1.384 0.000 -0.000 0.000 3/37026 360.0 1.545 1.545 1.345 0.000 -0.000 0.000 3/37026 370.0 1.502 1.502 1.308 0.000 -0.000 0.000 3/37026 380.0 1.461 1.461 1.273 0.000 -0.000 0.000 3/37026 390.0 1.423 1.423 1.240 0.000 -0.000 0.000 3/37026 400.0 1.386 1.386 1.209 0.000 -0.000 0.000 3/37026 410.0 1.352 1.352 1.180 0.000 -0.000 0.000 3/37026 420.0 1.319 1.319 1.152 0.000 -0.000 0.000 3/37026 430.0 1.288 1.288 1.125 0.000 -0.000 0.000 3/37026 440.0 1.258 1.258 1.100 0.000 -0.000 0.000 3/37026 450.0 1.230 1.230 1.076 0.000 -0.000 0.000 3/37026 460.0 1.204 1.204 1.053 0.000 -0.000 0.000 3/37026 470.0 1.178 1.178 1.031 0.000 -0.000 0.000 3/37026 480.0 1.153 1.153 1.010 0.000 -0.000 0.000 3/37026 490.0 1.130 1.130 0.990 0.000 -0.000 0.000 3/37026 500.0 1.108 1.108 0.971 0.000 -0.000 0.000 3/37026 510.0 1.086 1.086 0.953 0.000 -0.000 0.000 3/37026 520.0 1.066 1.066 0.935 0.000 -0.000 0.000 3/37026 530.0 1.046 1.046 0.918 0.000 -0.000 0.000 3/37026 540.0 1.027 1.027 0.902 0.000 -0.000 0.000 3/37026 550.0 1.009 1.009 0.886 0.000 -0.000 0.000 3/37026 560.0 0.991 0.991 0.871 0.000 -0.000 0.000 3/37026 570.0 0.975 0.975 0.857 0.000 -0.000 0.000 3/37026 580.0 0.958 0.958 0.843 0.000 -0.000 0.000 3/37026 590.0 0.943 0.943 0.829 0.000 -0.000 0.000 3/37026 600.0 0.928 0.928 0.816 0.000 -0.000 0.000 3/37026 610.0 0.913 0.913 0.804 0.000 -0.000 0.000 3/37026 620.0 0.899 0.899 0.792 0.000 -0.000 0.000 3/37026 630.0 0.885 0.885 0.780 0.000 -0.000 0.000 3/37026 640.0 0.872 0.872 0.768 0.000 -0.000 0.000 3/37026 650.0 0.859 0.859 0.757 0.000 -0.000 0.000 3/37026 660.0 0.847 0.847 0.747 0.000 -0.000 0.000 3/37026 670.0 0.835 0.835 0.736 0.000 -0.000 0.000 3/37026 680.0 0.823 0.823 0.726 0.000 -0.000 0.000 3/37026 690.0 0.812 0.812 0.717 0.000 -0.000 0.000 3/37026 700.0 0.801 0.801 0.707 0.000 -0.000 0.000 3/37026 710.0 0.791 0.791 0.698 0.000 -0.000 0.000 3/37026 720.0 0.780 0.780 0.689 0.000 -0.000 0.000 3/37026 730.0 0.770 0.770 0.680 0.000 -0.000 0.000 3/37026 740.0 0.761 0.761 0.672 0.000 -0.000 0.000 3/37026 750.0 0.751 0.751 0.664 0.000 -0.000 0.000 3/37026 760.0 0.742 0.742 0.656 0.000 -0.000 0.000 3/37026 770.0 0.733 0.733 0.648 0.000 -0.000 0.000 3/37026 780.0 0.724 0.724 0.640 0.000 -0.000 0.000 3/37026 790.0 0.715 0.715 0.633 0.000 -0.000 0.000 3/37026 800.0 0.707 0.707 0.626 0.000 -0.000 0.000 3/37026 810.0 0.699 0.699 0.619 0.000 -0.000 0.000 3/37026 820.0 0.691 0.691 0.612 0.000 -0.000 0.000 3/37026 830.0 0.683 0.683 0.605 0.000 -0.000 0.000 3/37026 840.0 0.676 0.676 0.598 0.000 -0.000 0.000 3/37026 850.0 0.668 0.668 0.592 0.000 -0.000 0.000 3/37026 860.0 0.661 0.661 0.586 0.000 -0.000 0.000 3/37026 870.0 0.654 0.654 0.579 0.000 -0.000 0.000 3/37026 880.0 0.647 0.647 0.573 0.000 -0.000 0.000 3/37026 890.0 0.640 0.640 0.568 0.000 -0.000 0.000 3/37026 900.0 0.634 0.634 0.562 0.000 -0.000 0.000 3/37026 910.0 0.627 0.627 0.556 0.000 -0.000 0.000 3/37026 920.0 0.621 0.621 0.551 0.000 -0.000 0.000 3/37026 930.0 0.615 0.615 0.545 0.000 -0.000 0.000 3/37026 940.0 0.609 0.609 0.540 0.000 -0.000 0.000 3/37026 950.0 0.603 0.603 0.535 0.000 -0.000 0.000 3/37026 960.0 0.597 0.597 0.530 0.000 -0.000 0.000 3/37026 970.0 0.591 0.591 0.525 0.000 -0.000 0.000 3/37026 980.0 0.586 0.586 0.520 0.000 -0.000 0.000 3/37026 990.0 0.580 0.580 0.515 0.000 -0.000 0.000 3/37026 1000.0 0.575 0.575 0.510 0.000 -0.000 0.000 3/37026 Thermal conductivity related properties were written into "kappa-m11116.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:09:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|