----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:13:19]------------------------- 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 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.593602370000002 10.382414405000002 b 3.139755175000000 0.000000000000000 10.382414405000002 c 3.139755175000000 6.593602370000002 0.000000000000000 Atomic positions (fractional): *1 K 0.31248320892678 0.31248320892678 0.68751679107322 39.098 2 K 0.68751679107322 0.68751679107322 0.31248320892678 39.098 3 K 0.56248320892678 0.56248320892678 0.93751679107322 39.098 4 K 0.93751679107322 0.93751679107322 0.56248320892678 39.098 *5 Ag 0.17511439216545 0.17511439216545 0.32488560783455 107.868 6 Ag 0.92511439216545 0.92511439216545 0.07488560783455 107.868 7 Ag 0.07488560783455 0.07488560783455 0.92511439216545 107.868 8 Ag 0.32488560783455 0.32488560783455 0.17511439216545 107.868 *9 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 10 Ge 0.75000000000000 0.75000000000000 0.75000000000000 72.640 *11 S 0.90254059447753 0.72127300222363 0.38950292434597 32.065 12 S 0.98668347895287 0.38950292434597 0.72127300222363 32.065 13 S 0.52872699777637 0.34745940552247 0.26331652104713 32.065 14 S 0.38950292434597 0.98668347895287 0.90254059447753 32.065 15 S 0.26331652104713 0.86049707565403 0.52872699777637 32.065 16 S 0.72127300222363 0.90254059447753 0.98668347895287 32.065 17 S 0.86049707565403 0.26331652104713 0.34745940552247 32.065 18 S 0.34745940552247 0.52872699777637 0.86049707565403 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.279510350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.187204740000004 0.000000000000000 c 0.000000000000000 0.000000000000000 20.764828810000004 Atomic positions (fractional): *1 K 0.50000000000000 0.00000000000000 0.81248320892678 39.098 > 1 2 K 0.00000000000000 0.00000000000000 0.68751679107322 39.098 > 2 3 K 0.75000000000000 0.75000000000000 0.56248320892678 39.098 > 3 4 K 0.75000000000000 0.75000000000000 0.93751679107322 39.098 > 4 5 K 0.50000000000000 0.50000000000000 0.31248320892678 39.098 > 1 6 K 0.00000000000000 0.50000000000000 0.18751679107322 39.098 > 2 7 K 0.75000000000000 0.25000000000000 0.06248320892678 39.098 > 3 8 K 0.75000000000000 0.25000000000000 0.43751679107322 39.098 > 4 9 K 0.00000000000000 0.00000000000000 0.31248320892678 39.098 > 1 10 K 0.50000000000000 0.00000000000000 0.18751679107322 39.098 > 2 11 K 0.25000000000000 0.75000000000000 0.06248320892678 39.098 > 3 12 K 0.25000000000000 0.75000000000000 0.43751679107322 39.098 > 4 13 K 0.00000000000000 0.50000000000000 0.81248320892678 39.098 > 1 14 K 0.50000000000000 0.50000000000000 0.68751679107322 39.098 > 2 15 K 0.25000000000000 0.25000000000000 0.56248320892678 39.098 > 3 16 K 0.25000000000000 0.25000000000000 0.93751679107322 39.098 > 4 *17 Ag 0.25000000000000 0.75000000000000 0.67511439216545 107.868 > 5 18 Ag 0.00000000000000 0.00000000000000 0.92511439216545 107.868 > 6 19 Ag 0.50000000000000 0.00000000000000 0.57488560783455 107.868 > 7 20 Ag 0.25000000000000 0.75000000000000 0.82488560783455 107.868 > 8 21 Ag 0.25000000000000 0.25000000000000 0.17511439216545 107.868 > 5 22 Ag 0.00000000000000 0.50000000000000 0.42511439216545 107.868 > 6 23 Ag 0.50000000000000 0.50000000000000 0.07488560783455 107.868 > 7 24 Ag 0.25000000000000 0.25000000000000 0.32488560783455 107.868 > 8 25 Ag 0.75000000000000 0.75000000000000 0.17511439216545 107.868 > 5 26 Ag 0.50000000000000 0.00000000000000 0.42511439216545 107.868 > 6 27 Ag 0.00000000000000 0.00000000000000 0.07488560783455 107.868 > 7 28 Ag 0.75000000000000 0.75000000000000 0.32488560783455 107.868 > 8 29 Ag 0.75000000000000 0.25000000000000 0.67511439216545 107.868 > 5 30 Ag 0.50000000000000 0.50000000000000 0.92511439216545 107.868 > 6 31 Ag 0.00000000000000 0.50000000000000 0.57488560783455 107.868 > 7 32 Ag 0.75000000000000 0.25000000000000 0.82488560783455 107.868 > 8 *33 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 9 34 Ge 0.75000000000000 0.75000000000000 0.75000000000000 72.640 > 10 35 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 9 36 Ge 0.75000000000000 0.25000000000000 0.25000000000000 72.640 > 10 37 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 9 38 Ge 0.25000000000000 0.75000000000000 0.25000000000000 72.640 > 10 39 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 9 40 Ge 0.25000000000000 0.25000000000000 0.75000000000000 72.640 > 10 *41 S 0.55538796328480 0.64602175941175 0.81190679835058 32.065 > 11 42 S 0.55538796328480 0.85397824058825 0.68809320164942 32.065 > 12 43 S 0.30538796328480 0.89602175941175 0.93809320164942 32.065 > 13 44 S 0.94461203671520 0.64602175941175 0.68809320164942 32.065 > 14 45 S 0.19461203671520 0.89602175941175 0.56190679835058 32.065 > 15 46 S 0.94461203671520 0.85397824058825 0.81190679835058 32.065 > 16 47 S 0.30538796328480 0.60397824058825 0.56190679835058 32.065 > 17 48 S 0.19461203671520 0.60397824058825 0.93809320164942 32.065 > 18 49 S 0.55538796328480 0.14602175941175 0.31190679835058 32.065 > 11 50 S 0.55538796328480 0.35397824058825 0.18809320164942 32.065 > 12 51 S 0.30538796328480 0.39602175941175 0.43809320164942 32.065 > 13 52 S 0.94461203671520 0.14602175941175 0.18809320164942 32.065 > 14 53 S 0.19461203671520 0.39602175941175 0.06190679835058 32.065 > 15 54 S 0.94461203671520 0.35397824058825 0.31190679835058 32.065 > 16 55 S 0.30538796328480 0.10397824058825 0.06190679835058 32.065 > 17 56 S 0.19461203671520 0.10397824058825 0.43809320164942 32.065 > 18 57 S 0.05538796328480 0.64602175941175 0.31190679835058 32.065 > 11 58 S 0.05538796328480 0.85397824058825 0.18809320164942 32.065 > 12 59 S 0.80538796328480 0.89602175941175 0.43809320164942 32.065 > 13 60 S 0.44461203671520 0.64602175941175 0.18809320164942 32.065 > 14 61 S 0.69461203671520 0.89602175941175 0.06190679835058 32.065 > 15 62 S 0.44461203671520 0.85397824058825 0.31190679835058 32.065 > 16 63 S 0.80538796328480 0.60397824058825 0.06190679835058 32.065 > 17 64 S 0.69461203671520 0.60397824058825 0.43809320164942 32.065 > 18 65 S 0.05538796328480 0.14602175941175 0.81190679835058 32.065 > 11 66 S 0.05538796328480 0.35397824058825 0.68809320164942 32.065 > 12 67 S 0.80538796328480 0.39602175941175 0.93809320164942 32.065 > 13 68 S 0.44461203671520 0.14602175941175 0.68809320164942 32.065 > 14 69 S 0.69461203671520 0.39602175941175 0.56190679835058 32.065 > 15 70 S 0.44461203671520 0.35397824058825 0.81190679835058 32.065 > 16 71 S 0.80538796328480 0.10397824058825 0.56190679835058 32.065 > 17 72 S 0.69461203671520 0.10397824058825 0.93809320164942 32.065 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.559020700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.187204740000004 0.000000000000000 c 0.000000000000000 0.000000000000000 20.764828810000004 Atomic positions (fractional): *1 K 0.25000000000000 0.00000000000000 0.81248320892678 39.098 > 1 2 K 0.75000000000000 0.00000000000000 0.81248320892678 39.098 > 1 3 K 0.00000000000000 0.00000000000000 0.68751679107322 39.098 > 2 4 K 0.50000000000000 0.00000000000000 0.68751679107322 39.098 > 2 5 K 0.37500000000000 0.75000000000000 0.56248320892678 39.098 > 3 6 K 0.87500000000000 0.75000000000000 0.56248320892678 39.098 > 3 7 K 0.37500000000000 0.75000000000000 0.93751679107322 39.098 > 4 8 K 0.87500000000000 0.75000000000000 0.93751679107322 39.098 > 4 9 K 0.25000000000000 0.50000000000000 0.31248320892678 39.098 > 1 10 K 0.75000000000000 0.50000000000000 0.31248320892678 39.098 > 1 11 K 0.00000000000000 0.50000000000000 0.18751679107322 39.098 > 2 12 K 0.50000000000000 0.50000000000000 0.18751679107322 39.098 > 2 13 K 0.37500000000000 0.25000000000000 0.06248320892678 39.098 > 3 14 K 0.87500000000000 0.25000000000000 0.06248320892678 39.098 > 3 15 K 0.37500000000000 0.25000000000000 0.43751679107322 39.098 > 4 16 K 0.87500000000000 0.25000000000000 0.43751679107322 39.098 > 4 17 K 0.00000000000000 0.00000000000000 0.31248320892678 39.098 > 1 18 K 0.50000000000000 0.00000000000000 0.31248320892678 39.098 > 1 19 K 0.25000000000000 0.00000000000000 0.18751679107322 39.098 > 2 20 K 0.75000000000000 0.00000000000000 0.18751679107322 39.098 > 2 21 K 0.12500000000000 0.75000000000000 0.06248320892678 39.098 > 3 22 K 0.62500000000000 0.75000000000000 0.06248320892678 39.098 > 3 23 K 0.12500000000000 0.75000000000000 0.43751679107322 39.098 > 4 24 K 0.62500000000000 0.75000000000000 0.43751679107322 39.098 > 4 25 K 0.00000000000000 0.50000000000000 0.81248320892678 39.098 > 1 26 K 0.50000000000000 0.50000000000000 0.81248320892678 39.098 > 1 27 K 0.25000000000000 0.50000000000000 0.68751679107322 39.098 > 2 28 K 0.75000000000000 0.50000000000000 0.68751679107322 39.098 > 2 29 K 0.12500000000000 0.25000000000000 0.56248320892678 39.098 > 3 30 K 0.62500000000000 0.25000000000000 0.56248320892678 39.098 > 3 31 K 0.12500000000000 0.25000000000000 0.93751679107322 39.098 > 4 32 K 0.62500000000000 0.25000000000000 0.93751679107322 39.098 > 4 *33 Ag 0.12500000000000 0.75000000000000 0.67511439216545 107.868 > 5 34 Ag 0.62500000000000 0.75000000000000 0.67511439216545 107.868 > 5 35 Ag 0.00000000000000 0.00000000000000 0.92511439216545 107.868 > 6 36 Ag 0.50000000000000 0.00000000000000 0.92511439216545 107.868 > 6 37 Ag 0.25000000000000 0.00000000000000 0.57488560783455 107.868 > 7 38 Ag 0.75000000000000 0.00000000000000 0.57488560783455 107.868 > 7 39 Ag 0.12500000000000 0.75000000000000 0.82488560783455 107.868 > 8 40 Ag 0.62500000000000 0.75000000000000 0.82488560783455 107.868 > 8 41 Ag 0.12500000000000 0.25000000000000 0.17511439216545 107.868 > 5 42 Ag 0.62500000000000 0.25000000000000 0.17511439216545 107.868 > 5 43 Ag 0.00000000000000 0.50000000000000 0.42511439216545 107.868 > 6 44 Ag 0.50000000000000 0.50000000000000 0.42511439216545 107.868 > 6 45 Ag 0.25000000000000 0.50000000000000 0.07488560783455 107.868 > 7 46 Ag 0.75000000000000 0.50000000000000 0.07488560783455 107.868 > 7 47 Ag 0.12500000000000 0.25000000000000 0.32488560783455 107.868 > 8 48 Ag 0.62500000000000 0.25000000000000 0.32488560783455 107.868 > 8 49 Ag 0.37500000000000 0.75000000000000 0.17511439216545 107.868 > 5 50 Ag 0.87500000000000 0.75000000000000 0.17511439216545 107.868 > 5 51 Ag 0.25000000000000 0.00000000000000 0.42511439216545 107.868 > 6 52 Ag 0.75000000000000 0.00000000000000 0.42511439216545 107.868 > 6 53 Ag 0.00000000000000 0.00000000000000 0.07488560783455 107.868 > 7 54 Ag 0.50000000000000 0.00000000000000 0.07488560783455 107.868 > 7 55 Ag 0.37500000000000 0.75000000000000 0.32488560783455 107.868 > 8 56 Ag 0.87500000000000 0.75000000000000 0.32488560783455 107.868 > 8 57 Ag 0.37500000000000 0.25000000000000 0.67511439216545 107.868 > 5 58 Ag 0.87500000000000 0.25000000000000 0.67511439216545 107.868 > 5 59 Ag 0.25000000000000 0.50000000000000 0.92511439216545 107.868 > 6 60 Ag 0.75000000000000 0.50000000000000 0.92511439216545 107.868 > 6 61 Ag 0.00000000000000 0.50000000000000 0.57488560783455 107.868 > 7 62 Ag 0.50000000000000 0.50000000000000 0.57488560783455 107.868 > 7 63 Ag 0.37500000000000 0.25000000000000 0.82488560783455 107.868 > 8 64 Ag 0.87500000000000 0.25000000000000 0.82488560783455 107.868 > 8 *65 Ge 0.25000000000000 0.00000000000000 0.00000000000000 72.640 > 9 66 Ge 0.75000000000000 0.00000000000000 0.00000000000000 72.640 > 9 67 Ge 0.37500000000000 0.75000000000000 0.75000000000000 72.640 > 10 68 Ge 0.87500000000000 0.75000000000000 0.75000000000000 72.640 > 10 69 Ge 0.25000000000000 0.50000000000000 0.50000000000000 72.640 > 9 70 Ge 0.75000000000000 0.50000000000000 0.50000000000000 72.640 > 9 71 Ge 0.37500000000000 0.25000000000000 0.25000000000000 72.640 > 10 72 Ge 0.87500000000000 0.25000000000000 0.25000000000000 72.640 > 10 73 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 9 74 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 9 75 Ge 0.12500000000000 0.75000000000000 0.25000000000000 72.640 > 10 76 Ge 0.62500000000000 0.75000000000000 0.25000000000000 72.640 > 10 77 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 9 78 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 9 79 Ge 0.12500000000000 0.25000000000000 0.75000000000000 72.640 > 10 80 Ge 0.62500000000000 0.25000000000000 0.75000000000000 72.640 > 10 *81 S 0.27769398164240 0.64602175941175 0.81190679835058 32.065 > 11 82 S 0.77769398164240 0.64602175941175 0.81190679835058 32.065 > 11 83 S 0.27769398164240 0.85397824058825 0.68809320164942 32.065 > 12 84 S 0.77769398164240 0.85397824058825 0.68809320164942 32.065 > 12 85 S 0.15269398164240 0.89602175941175 0.93809320164942 32.065 > 13 86 S 0.65269398164240 0.89602175941175 0.93809320164942 32.065 > 13 87 S 0.47230601835760 0.64602175941175 0.68809320164942 32.065 > 14 88 S 0.97230601835760 0.64602175941175 0.68809320164942 32.065 > 14 89 S 0.09730601835760 0.89602175941175 0.56190679835058 32.065 > 15 90 S 0.59730601835760 0.89602175941175 0.56190679835058 32.065 > 15 91 S 0.47230601835760 0.85397824058825 0.81190679835058 32.065 > 16 92 S 0.97230601835760 0.85397824058825 0.81190679835058 32.065 > 16 93 S 0.15269398164240 0.60397824058825 0.56190679835058 32.065 > 17 94 S 0.65269398164240 0.60397824058825 0.56190679835058 32.065 > 17 95 S 0.09730601835760 0.60397824058825 0.93809320164942 32.065 > 18 96 S 0.59730601835760 0.60397824058825 0.93809320164942 32.065 > 18 97 S 0.27769398164240 0.14602175941175 0.31190679835058 32.065 > 11 98 S 0.77769398164240 0.14602175941175 0.31190679835058 32.065 > 11 99 S 0.27769398164240 0.35397824058825 0.18809320164942 32.065 > 12 100 S 0.77769398164240 0.35397824058825 0.18809320164942 32.065 > 12 101 S 0.15269398164240 0.39602175941175 0.43809320164942 32.065 > 13 102 S 0.65269398164240 0.39602175941175 0.43809320164942 32.065 > 13 103 S 0.47230601835760 0.14602175941175 0.18809320164942 32.065 > 14 104 S 0.97230601835760 0.14602175941175 0.18809320164942 32.065 > 14 105 S 0.09730601835760 0.39602175941175 0.06190679835058 32.065 > 15 106 S 0.59730601835760 0.39602175941175 0.06190679835058 32.065 > 15 107 S 0.47230601835760 0.35397824058825 0.31190679835058 32.065 > 16 108 S 0.97230601835760 0.35397824058825 0.31190679835058 32.065 > 16 109 S 0.15269398164240 0.10397824058825 0.06190679835058 32.065 > 17 110 S 0.65269398164240 0.10397824058825 0.06190679835058 32.065 > 17 111 S 0.09730601835760 0.10397824058825 0.43809320164942 32.065 > 18 112 S 0.59730601835760 0.10397824058825 0.43809320164942 32.065 > 18 113 S 0.02769398164240 0.64602175941175 0.31190679835058 32.065 > 11 114 S 0.52769398164240 0.64602175941175 0.31190679835058 32.065 > 11 115 S 0.02769398164240 0.85397824058825 0.18809320164942 32.065 > 12 116 S 0.52769398164240 0.85397824058825 0.18809320164942 32.065 > 12 117 S 0.40269398164240 0.89602175941175 0.43809320164942 32.065 > 13 118 S 0.90269398164240 0.89602175941175 0.43809320164942 32.065 > 13 119 S 0.22230601835760 0.64602175941175 0.18809320164942 32.065 > 14 120 S 0.72230601835760 0.64602175941175 0.18809320164942 32.065 > 14 121 S 0.34730601835760 0.89602175941175 0.06190679835058 32.065 > 15 122 S 0.84730601835760 0.89602175941175 0.06190679835058 32.065 > 15 123 S 0.22230601835760 0.85397824058825 0.31190679835058 32.065 > 16 124 S 0.72230601835760 0.85397824058825 0.31190679835058 32.065 > 16 125 S 0.40269398164240 0.60397824058825 0.06190679835058 32.065 > 17 126 S 0.90269398164240 0.60397824058825 0.06190679835058 32.065 > 17 127 S 0.34730601835760 0.60397824058825 0.43809320164942 32.065 > 18 128 S 0.84730601835760 0.60397824058825 0.43809320164942 32.065 > 18 129 S 0.02769398164240 0.14602175941175 0.81190679835058 32.065 > 11 130 S 0.52769398164240 0.14602175941175 0.81190679835058 32.065 > 11 131 S 0.02769398164240 0.35397824058825 0.68809320164942 32.065 > 12 132 S 0.52769398164240 0.35397824058825 0.68809320164942 32.065 > 12 133 S 0.40269398164240 0.39602175941175 0.93809320164942 32.065 > 13 134 S 0.90269398164240 0.39602175941175 0.93809320164942 32.065 > 13 135 S 0.22230601835760 0.14602175941175 0.68809320164942 32.065 > 14 136 S 0.72230601835760 0.14602175941175 0.68809320164942 32.065 > 14 137 S 0.34730601835760 0.39602175941175 0.56190679835058 32.065 > 15 138 S 0.84730601835760 0.39602175941175 0.56190679835058 32.065 > 15 139 S 0.22230601835760 0.35397824058825 0.81190679835058 32.065 > 16 140 S 0.72230601835760 0.35397824058825 0.81190679835058 32.065 > 16 141 S 0.40269398164240 0.10397824058825 0.56190679835058 32.065 > 17 142 S 0.90269398164240 0.10397824058825 0.56190679835058 32.065 > 17 143 S 0.34730601835760 0.10397824058825 0.93809320164942 32.065 > 18 144 S 0.84730601835760 0.10397824058825 0.93809320164942 32.065 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7420472 0.0000000 0.0000000 0.0000000 5.1847849 0.0000000 0.0000000 0.0000000 6.2120471 -------------------------- Born effective charges -------------------------- 1 K 1.2493572 0.0059712 0.0000000 -0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 2 K 1.2493572 -0.0059712 0.0000000 0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 3 K 1.2493572 -0.0059712 0.0000000 0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 4 K 1.2493572 0.0059712 0.0000000 -0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 5 Ag 0.6490713 0.3233455 0.0000000 0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 6 Ag 0.6490713 -0.3233455 0.0000000 -0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 7 Ag 0.6490713 0.3233455 0.0000000 0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 8 Ag 0.6490713 -0.3233455 0.0000000 -0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 9 Ge 3.6792782 0.0000000 0.0000000 0.0000000 2.2648889 0.0000000 0.0000000 0.0000000 2.7914696 10 Ge 3.6792782 0.0000000 0.0000000 0.0000000 2.2648889 0.0000000 0.0000000 0.0000000 2.7914696 11 S -1.8690338 -0.3272855 0.4052476 -0.2609598 -1.5332453 0.4081844 0.5426492 0.4584554 -1.7866179 12 S -1.8690338 0.3272855 -0.4052476 0.2609598 -1.5332453 0.4081844 -0.5426492 0.4584554 -1.7866179 13 S -1.8690338 -0.3272855 -0.4052476 -0.2609598 -1.5332453 -0.4081844 -0.5426492 -0.4584554 -1.7866179 14 S -1.8690338 0.3272855 0.4052476 0.2609598 -1.5332453 -0.4081844 0.5426492 -0.4584554 -1.7866179 15 S -1.8690338 0.3272855 -0.4052476 0.2609598 -1.5332453 0.4081844 -0.5426492 0.4584554 -1.7866179 16 S -1.8690338 -0.3272855 -0.4052476 -0.2609598 -1.5332453 -0.4081844 -0.5426492 -0.4584554 -1.7866179 17 S -1.8690338 0.3272855 0.4052476 0.2609598 -1.5332453 -0.4081844 0.5426492 -0.4584554 -1.7866179 18 S -1.8690338 -0.3272855 0.4052476 -0.2609598 -1.5332453 0.4081844 0.5426492 0.4584554 -1.7866179 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 14418/14418 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1580 Number of blocks in projector: 1580 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1580, 1558), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (298, 296), data: True |-- (300, 298), data: True |-- (346, 340), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 320 - Time: 2.918 Solver_block: 200 / 320 - Time: 2.929 Solver_block: 300 / 320 - Time: 2.938 Solver_block: 320 / 320 - Time: 0.682 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.507 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14418/14418 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1580 Number of blocks in projector: 1580 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1580, 1558), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (298, 296), data: True |-- (300, 298), data: True |-- (346, 340), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:13:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:13:47]------------------------- 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 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.593602370000002 10.382414405000002 b 3.139755175000000 0.000000000000000 10.382414405000002 c 3.139755175000000 6.593602370000002 0.000000000000000 Atomic positions (fractional): 1 K 0.31248320892678 0.31248320892678 0.68751679107322 39.098 2 K 0.68751679107322 0.68751679107322 0.31248320892678 39.098 3 K 0.56248320892678 0.56248320892678 0.93751679107322 39.098 4 K 0.93751679107322 0.93751679107322 0.56248320892678 39.098 5 Ag 0.17511439216545 0.17511439216545 0.32488560783455 107.868 6 Ag 0.92511439216545 0.92511439216545 0.07488560783455 107.868 7 Ag 0.07488560783455 0.07488560783455 0.92511439216545 107.868 8 Ag 0.32488560783455 0.32488560783455 0.17511439216545 107.868 9 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 10 Ge 0.75000000000000 0.75000000000000 0.75000000000000 72.640 11 S 0.90254059447753 0.72127300222363 0.38950292434597 32.065 12 S 0.98668347895287 0.38950292434597 0.72127300222363 32.065 13 S 0.52872699777637 0.34745940552247 0.26331652104713 32.065 14 S 0.38950292434597 0.98668347895287 0.90254059447753 32.065 15 S 0.26331652104713 0.86049707565403 0.52872699777637 32.065 16 S 0.72127300222363 0.90254059447753 0.98668347895287 32.065 17 S 0.86049707565403 0.26331652104713 0.34745940552247 32.065 18 S 0.34745940552247 0.52872699777637 0.86049707565403 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.559020700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.187204740000004 0.000000000000000 c 0.000000000000000 0.000000000000000 20.764828810000004 Atomic positions (fractional): 1 K 0.25000000000000 0.00000000000000 0.81248320892678 39.098 > 1 2 K 0.75000000000000 0.00000000000000 0.81248320892678 39.098 > 1 3 K 0.00000000000000 0.00000000000000 0.68751679107322 39.098 > 3 4 K 0.50000000000000 0.00000000000000 0.68751679107322 39.098 > 3 5 K 0.37500000000000 0.75000000000000 0.56248320892678 39.098 > 5 6 K 0.87500000000000 0.75000000000000 0.56248320892678 39.098 > 5 7 K 0.37500000000000 0.75000000000000 0.93751679107322 39.098 > 7 8 K 0.87500000000000 0.75000000000000 0.93751679107322 39.098 > 7 9 K 0.25000000000000 0.50000000000000 0.31248320892678 39.098 > 1 10 K 0.75000000000000 0.50000000000000 0.31248320892678 39.098 > 1 11 K 0.00000000000000 0.50000000000000 0.18751679107322 39.098 > 3 12 K 0.50000000000000 0.50000000000000 0.18751679107322 39.098 > 3 13 K 0.37500000000000 0.25000000000000 0.06248320892678 39.098 > 5 14 K 0.87500000000000 0.25000000000000 0.06248320892678 39.098 > 5 15 K 0.37500000000000 0.25000000000000 0.43751679107322 39.098 > 7 16 K 0.87500000000000 0.25000000000000 0.43751679107322 39.098 > 7 17 K 0.00000000000000 0.00000000000000 0.31248320892678 39.098 > 1 18 K 0.50000000000000 0.00000000000000 0.31248320892678 39.098 > 1 19 K 0.25000000000000 0.00000000000000 0.18751679107322 39.098 > 3 20 K 0.75000000000000 0.00000000000000 0.18751679107322 39.098 > 3 21 K 0.12500000000000 0.75000000000000 0.06248320892678 39.098 > 5 22 K 0.62500000000000 0.75000000000000 0.06248320892678 39.098 > 5 23 K 0.12500000000000 0.75000000000000 0.43751679107322 39.098 > 7 24 K 0.62500000000000 0.75000000000000 0.43751679107322 39.098 > 7 25 K 0.00000000000000 0.50000000000000 0.81248320892678 39.098 > 1 26 K 0.50000000000000 0.50000000000000 0.81248320892678 39.098 > 1 27 K 0.25000000000000 0.50000000000000 0.68751679107322 39.098 > 3 28 K 0.75000000000000 0.50000000000000 0.68751679107322 39.098 > 3 29 K 0.12500000000000 0.25000000000000 0.56248320892678 39.098 > 5 30 K 0.62500000000000 0.25000000000000 0.56248320892678 39.098 > 5 31 K 0.12500000000000 0.25000000000000 0.93751679107322 39.098 > 7 32 K 0.62500000000000 0.25000000000000 0.93751679107322 39.098 > 7 33 Ag 0.12500000000000 0.75000000000000 0.67511439216545 107.868 > 33 34 Ag 0.62500000000000 0.75000000000000 0.67511439216545 107.868 > 33 35 Ag 0.00000000000000 0.00000000000000 0.92511439216545 107.868 > 35 36 Ag 0.50000000000000 0.00000000000000 0.92511439216545 107.868 > 35 37 Ag 0.25000000000000 0.00000000000000 0.57488560783455 107.868 > 37 38 Ag 0.75000000000000 0.00000000000000 0.57488560783455 107.868 > 37 39 Ag 0.12500000000000 0.75000000000000 0.82488560783455 107.868 > 39 40 Ag 0.62500000000000 0.75000000000000 0.82488560783455 107.868 > 39 41 Ag 0.12500000000000 0.25000000000000 0.17511439216545 107.868 > 33 42 Ag 0.62500000000000 0.25000000000000 0.17511439216545 107.868 > 33 43 Ag 0.00000000000000 0.50000000000000 0.42511439216545 107.868 > 35 44 Ag 0.50000000000000 0.50000000000000 0.42511439216545 107.868 > 35 45 Ag 0.25000000000000 0.50000000000000 0.07488560783455 107.868 > 37 46 Ag 0.75000000000000 0.50000000000000 0.07488560783455 107.868 > 37 47 Ag 0.12500000000000 0.25000000000000 0.32488560783455 107.868 > 39 48 Ag 0.62500000000000 0.25000000000000 0.32488560783455 107.868 > 39 49 Ag 0.37500000000000 0.75000000000000 0.17511439216545 107.868 > 33 50 Ag 0.87500000000000 0.75000000000000 0.17511439216545 107.868 > 33 51 Ag 0.25000000000000 0.00000000000000 0.42511439216545 107.868 > 35 52 Ag 0.75000000000000 0.00000000000000 0.42511439216545 107.868 > 35 53 Ag 0.00000000000000 0.00000000000000 0.07488560783455 107.868 > 37 54 Ag 0.50000000000000 0.00000000000000 0.07488560783455 107.868 > 37 55 Ag 0.37500000000000 0.75000000000000 0.32488560783455 107.868 > 39 56 Ag 0.87500000000000 0.75000000000000 0.32488560783455 107.868 > 39 57 Ag 0.37500000000000 0.25000000000000 0.67511439216545 107.868 > 33 58 Ag 0.87500000000000 0.25000000000000 0.67511439216545 107.868 > 33 59 Ag 0.25000000000000 0.50000000000000 0.92511439216545 107.868 > 35 60 Ag 0.75000000000000 0.50000000000000 0.92511439216545 107.868 > 35 61 Ag 0.00000000000000 0.50000000000000 0.57488560783455 107.868 > 37 62 Ag 0.50000000000000 0.50000000000000 0.57488560783455 107.868 > 37 63 Ag 0.37500000000000 0.25000000000000 0.82488560783455 107.868 > 39 64 Ag 0.87500000000000 0.25000000000000 0.82488560783455 107.868 > 39 65 Ge 0.25000000000000 0.00000000000000 0.00000000000000 72.640 > 65 66 Ge 0.75000000000000 0.00000000000000 0.00000000000000 72.640 > 65 67 Ge 0.37500000000000 0.75000000000000 0.75000000000000 72.640 > 67 68 Ge 0.87500000000000 0.75000000000000 0.75000000000000 72.640 > 67 69 Ge 0.25000000000000 0.50000000000000 0.50000000000000 72.640 > 65 70 Ge 0.75000000000000 0.50000000000000 0.50000000000000 72.640 > 65 71 Ge 0.37500000000000 0.25000000000000 0.25000000000000 72.640 > 67 72 Ge 0.87500000000000 0.25000000000000 0.25000000000000 72.640 > 67 73 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 65 74 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 65 75 Ge 0.12500000000000 0.75000000000000 0.25000000000000 72.640 > 67 76 Ge 0.62500000000000 0.75000000000000 0.25000000000000 72.640 > 67 77 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 65 78 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 65 79 Ge 0.12500000000000 0.25000000000000 0.75000000000000 72.640 > 67 80 Ge 0.62500000000000 0.25000000000000 0.75000000000000 72.640 > 67 81 S 0.27769398164240 0.64602175941175 0.81190679835058 32.065 > 81 82 S 0.77769398164240 0.64602175941175 0.81190679835058 32.065 > 81 83 S 0.27769398164240 0.85397824058825 0.68809320164942 32.065 > 83 84 S 0.77769398164240 0.85397824058825 0.68809320164942 32.065 > 83 85 S 0.15269398164240 0.89602175941175 0.93809320164942 32.065 > 85 86 S 0.65269398164240 0.89602175941175 0.93809320164942 32.065 > 85 87 S 0.47230601835760 0.64602175941175 0.68809320164942 32.065 > 87 88 S 0.97230601835760 0.64602175941175 0.68809320164942 32.065 > 87 89 S 0.09730601835760 0.89602175941175 0.56190679835058 32.065 > 89 90 S 0.59730601835760 0.89602175941175 0.56190679835058 32.065 > 89 91 S 0.47230601835760 0.85397824058825 0.81190679835058 32.065 > 91 92 S 0.97230601835760 0.85397824058825 0.81190679835058 32.065 > 91 93 S 0.15269398164240 0.60397824058825 0.56190679835058 32.065 > 93 94 S 0.65269398164240 0.60397824058825 0.56190679835058 32.065 > 93 95 S 0.09730601835760 0.60397824058825 0.93809320164942 32.065 > 95 96 S 0.59730601835760 0.60397824058825 0.93809320164942 32.065 > 95 97 S 0.27769398164240 0.14602175941175 0.31190679835058 32.065 > 81 98 S 0.77769398164240 0.14602175941175 0.31190679835058 32.065 > 81 99 S 0.27769398164240 0.35397824058825 0.18809320164942 32.065 > 83 100 S 0.77769398164240 0.35397824058825 0.18809320164942 32.065 > 83 101 S 0.15269398164240 0.39602175941175 0.43809320164942 32.065 > 85 102 S 0.65269398164240 0.39602175941175 0.43809320164942 32.065 > 85 103 S 0.47230601835760 0.14602175941175 0.18809320164942 32.065 > 87 104 S 0.97230601835760 0.14602175941175 0.18809320164942 32.065 > 87 105 S 0.09730601835760 0.39602175941175 0.06190679835058 32.065 > 89 106 S 0.59730601835760 0.39602175941175 0.06190679835058 32.065 > 89 107 S 0.47230601835760 0.35397824058825 0.31190679835058 32.065 > 91 108 S 0.97230601835760 0.35397824058825 0.31190679835058 32.065 > 91 109 S 0.15269398164240 0.10397824058825 0.06190679835058 32.065 > 93 110 S 0.65269398164240 0.10397824058825 0.06190679835058 32.065 > 93 111 S 0.09730601835760 0.10397824058825 0.43809320164942 32.065 > 95 112 S 0.59730601835760 0.10397824058825 0.43809320164942 32.065 > 95 113 S 0.02769398164240 0.64602175941175 0.31190679835058 32.065 > 81 114 S 0.52769398164240 0.64602175941175 0.31190679835058 32.065 > 81 115 S 0.02769398164240 0.85397824058825 0.18809320164942 32.065 > 83 116 S 0.52769398164240 0.85397824058825 0.18809320164942 32.065 > 83 117 S 0.40269398164240 0.89602175941175 0.43809320164942 32.065 > 85 118 S 0.90269398164240 0.89602175941175 0.43809320164942 32.065 > 85 119 S 0.22230601835760 0.64602175941175 0.18809320164942 32.065 > 87 120 S 0.72230601835760 0.64602175941175 0.18809320164942 32.065 > 87 121 S 0.34730601835760 0.89602175941175 0.06190679835058 32.065 > 89 122 S 0.84730601835760 0.89602175941175 0.06190679835058 32.065 > 89 123 S 0.22230601835760 0.85397824058825 0.31190679835058 32.065 > 91 124 S 0.72230601835760 0.85397824058825 0.31190679835058 32.065 > 91 125 S 0.40269398164240 0.60397824058825 0.06190679835058 32.065 > 93 126 S 0.90269398164240 0.60397824058825 0.06190679835058 32.065 > 93 127 S 0.34730601835760 0.60397824058825 0.43809320164942 32.065 > 95 128 S 0.84730601835760 0.60397824058825 0.43809320164942 32.065 > 95 129 S 0.02769398164240 0.14602175941175 0.81190679835058 32.065 > 81 130 S 0.52769398164240 0.14602175941175 0.81190679835058 32.065 > 81 131 S 0.02769398164240 0.35397824058825 0.68809320164942 32.065 > 83 132 S 0.52769398164240 0.35397824058825 0.68809320164942 32.065 > 83 133 S 0.40269398164240 0.39602175941175 0.93809320164942 32.065 > 85 134 S 0.90269398164240 0.39602175941175 0.93809320164942 32.065 > 85 135 S 0.22230601835760 0.14602175941175 0.68809320164942 32.065 > 87 136 S 0.72230601835760 0.14602175941175 0.68809320164942 32.065 > 87 137 S 0.34730601835760 0.39602175941175 0.56190679835058 32.065 > 89 138 S 0.84730601835760 0.39602175941175 0.56190679835058 32.065 > 89 139 S 0.22230601835760 0.35397824058825 0.81190679835058 32.065 > 91 140 S 0.72230601835760 0.35397824058825 0.81190679835058 32.065 > 91 141 S 0.40269398164240 0.10397824058825 0.56190679835058 32.065 > 93 142 S 0.90269398164240 0.10397824058825 0.56190679835058 32.065 > 93 143 S 0.34730601835760 0.10397824058825 0.93809320164942 32.065 > 95 144 S 0.84730601835760 0.10397824058825 0.93809320164942 32.065 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7420472 0.0000000 0.0000000 0.0000000 5.1847849 0.0000000 0.0000000 0.0000000 6.2120471 -------------------------- Born effective charges -------------------------- 1 K 1.2493572 0.0059712 0.0000000 -0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 2 K 1.2493572 -0.0059712 0.0000000 0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 3 K 1.2493572 -0.0059712 0.0000000 0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 4 K 1.2493572 0.0059712 0.0000000 -0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 5 Ag 0.6490713 0.3233455 0.0000000 0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 6 Ag 0.6490713 -0.3233455 0.0000000 -0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 7 Ag 0.6490713 0.3233455 0.0000000 0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 8 Ag 0.6490713 -0.3233455 0.0000000 -0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 9 Ge 3.6792782 0.0000000 0.0000000 0.0000000 2.2648889 0.0000000 0.0000000 0.0000000 2.7914696 10 Ge 3.6792782 0.0000000 0.0000000 0.0000000 2.2648889 0.0000000 0.0000000 0.0000000 2.7914696 11 S -1.8690338 -0.3272855 0.4052476 -0.2609598 -1.5332453 0.4081844 0.5426492 0.4584554 -1.7866179 12 S -1.8690338 0.3272855 -0.4052476 0.2609598 -1.5332453 0.4081844 -0.5426492 0.4584554 -1.7866179 13 S -1.8690338 -0.3272855 -0.4052476 -0.2609598 -1.5332453 -0.4081844 -0.5426492 -0.4584554 -1.7866179 14 S -1.8690338 0.3272855 0.4052476 0.2609598 -1.5332453 -0.4081844 0.5426492 -0.4584554 -1.7866179 15 S -1.8690338 0.3272855 -0.4052476 0.2609598 -1.5332453 0.4081844 -0.5426492 0.4584554 -1.7866179 16 S -1.8690338 -0.3272855 -0.4052476 -0.2609598 -1.5332453 -0.4081844 -0.5426492 -0.4584554 -1.7866179 17 S -1.8690338 0.3272855 0.4052476 0.2609598 -1.5332453 -0.4081844 0.5426492 -0.4584554 -1.7866179 18 S -1.8690338 -0.3272855 0.4052476 -0.2609598 -1.5332453 0.4081844 0.5426492 0.4584554 -1.7866179 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yxz) -0.00000001 (yxz) -0.00000001 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 14:14:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:14:10]------------------------- 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 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.593602370000002 10.382414405000002 b 3.139755175000000 0.000000000000000 10.382414405000002 c 3.139755175000000 6.593602370000002 0.000000000000000 Atomic positions (fractional): 1 K 0.31248320892678 0.31248320892678 0.68751679107322 39.098 2 K 0.68751679107322 0.68751679107322 0.31248320892678 39.098 3 K 0.56248320892678 0.56248320892678 0.93751679107322 39.098 4 K 0.93751679107322 0.93751679107322 0.56248320892678 39.098 5 Ag 0.17511439216545 0.17511439216545 0.32488560783455 107.868 6 Ag 0.92511439216545 0.92511439216545 0.07488560783455 107.868 7 Ag 0.07488560783455 0.07488560783455 0.92511439216545 107.868 8 Ag 0.32488560783455 0.32488560783455 0.17511439216545 107.868 9 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 10 Ge 0.75000000000000 0.75000000000000 0.75000000000000 72.640 11 S 0.90254059447753 0.72127300222363 0.38950292434597 32.065 12 S 0.98668347895287 0.38950292434597 0.72127300222363 32.065 13 S 0.52872699777637 0.34745940552247 0.26331652104713 32.065 14 S 0.38950292434597 0.98668347895287 0.90254059447753 32.065 15 S 0.26331652104713 0.86049707565403 0.52872699777637 32.065 16 S 0.72127300222363 0.90254059447753 0.98668347895287 32.065 17 S 0.86049707565403 0.26331652104713 0.34745940552247 32.065 18 S 0.34745940552247 0.52872699777637 0.86049707565403 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.559020700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.187204740000004 0.000000000000000 c 0.000000000000000 0.000000000000000 20.764828810000004 Atomic positions (fractional): 1 K 0.25000000000000 0.00000000000000 0.81248320892678 39.098 > 1 2 K 0.75000000000000 0.00000000000000 0.81248320892678 39.098 > 1 3 K 0.00000000000000 0.00000000000000 0.68751679107322 39.098 > 3 4 K 0.50000000000000 0.00000000000000 0.68751679107322 39.098 > 3 5 K 0.37500000000000 0.75000000000000 0.56248320892678 39.098 > 5 6 K 0.87500000000000 0.75000000000000 0.56248320892678 39.098 > 5 7 K 0.37500000000000 0.75000000000000 0.93751679107322 39.098 > 7 8 K 0.87500000000000 0.75000000000000 0.93751679107322 39.098 > 7 9 K 0.25000000000000 0.50000000000000 0.31248320892678 39.098 > 1 10 K 0.75000000000000 0.50000000000000 0.31248320892678 39.098 > 1 11 K 0.00000000000000 0.50000000000000 0.18751679107322 39.098 > 3 12 K 0.50000000000000 0.50000000000000 0.18751679107322 39.098 > 3 13 K 0.37500000000000 0.25000000000000 0.06248320892678 39.098 > 5 14 K 0.87500000000000 0.25000000000000 0.06248320892678 39.098 > 5 15 K 0.37500000000000 0.25000000000000 0.43751679107322 39.098 > 7 16 K 0.87500000000000 0.25000000000000 0.43751679107322 39.098 > 7 17 K 0.00000000000000 0.00000000000000 0.31248320892678 39.098 > 1 18 K 0.50000000000000 0.00000000000000 0.31248320892678 39.098 > 1 19 K 0.25000000000000 0.00000000000000 0.18751679107322 39.098 > 3 20 K 0.75000000000000 0.00000000000000 0.18751679107322 39.098 > 3 21 K 0.12500000000000 0.75000000000000 0.06248320892678 39.098 > 5 22 K 0.62500000000000 0.75000000000000 0.06248320892678 39.098 > 5 23 K 0.12500000000000 0.75000000000000 0.43751679107322 39.098 > 7 24 K 0.62500000000000 0.75000000000000 0.43751679107322 39.098 > 7 25 K 0.00000000000000 0.50000000000000 0.81248320892678 39.098 > 1 26 K 0.50000000000000 0.50000000000000 0.81248320892678 39.098 > 1 27 K 0.25000000000000 0.50000000000000 0.68751679107322 39.098 > 3 28 K 0.75000000000000 0.50000000000000 0.68751679107322 39.098 > 3 29 K 0.12500000000000 0.25000000000000 0.56248320892678 39.098 > 5 30 K 0.62500000000000 0.25000000000000 0.56248320892678 39.098 > 5 31 K 0.12500000000000 0.25000000000000 0.93751679107322 39.098 > 7 32 K 0.62500000000000 0.25000000000000 0.93751679107322 39.098 > 7 33 Ag 0.12500000000000 0.75000000000000 0.67511439216545 107.868 > 33 34 Ag 0.62500000000000 0.75000000000000 0.67511439216545 107.868 > 33 35 Ag 0.00000000000000 0.00000000000000 0.92511439216545 107.868 > 35 36 Ag 0.50000000000000 0.00000000000000 0.92511439216545 107.868 > 35 37 Ag 0.25000000000000 0.00000000000000 0.57488560783455 107.868 > 37 38 Ag 0.75000000000000 0.00000000000000 0.57488560783455 107.868 > 37 39 Ag 0.12500000000000 0.75000000000000 0.82488560783455 107.868 > 39 40 Ag 0.62500000000000 0.75000000000000 0.82488560783455 107.868 > 39 41 Ag 0.12500000000000 0.25000000000000 0.17511439216545 107.868 > 33 42 Ag 0.62500000000000 0.25000000000000 0.17511439216545 107.868 > 33 43 Ag 0.00000000000000 0.50000000000000 0.42511439216545 107.868 > 35 44 Ag 0.50000000000000 0.50000000000000 0.42511439216545 107.868 > 35 45 Ag 0.25000000000000 0.50000000000000 0.07488560783455 107.868 > 37 46 Ag 0.75000000000000 0.50000000000000 0.07488560783455 107.868 > 37 47 Ag 0.12500000000000 0.25000000000000 0.32488560783455 107.868 > 39 48 Ag 0.62500000000000 0.25000000000000 0.32488560783455 107.868 > 39 49 Ag 0.37500000000000 0.75000000000000 0.17511439216545 107.868 > 33 50 Ag 0.87500000000000 0.75000000000000 0.17511439216545 107.868 > 33 51 Ag 0.25000000000000 0.00000000000000 0.42511439216545 107.868 > 35 52 Ag 0.75000000000000 0.00000000000000 0.42511439216545 107.868 > 35 53 Ag 0.00000000000000 0.00000000000000 0.07488560783455 107.868 > 37 54 Ag 0.50000000000000 0.00000000000000 0.07488560783455 107.868 > 37 55 Ag 0.37500000000000 0.75000000000000 0.32488560783455 107.868 > 39 56 Ag 0.87500000000000 0.75000000000000 0.32488560783455 107.868 > 39 57 Ag 0.37500000000000 0.25000000000000 0.67511439216545 107.868 > 33 58 Ag 0.87500000000000 0.25000000000000 0.67511439216545 107.868 > 33 59 Ag 0.25000000000000 0.50000000000000 0.92511439216545 107.868 > 35 60 Ag 0.75000000000000 0.50000000000000 0.92511439216545 107.868 > 35 61 Ag 0.00000000000000 0.50000000000000 0.57488560783455 107.868 > 37 62 Ag 0.50000000000000 0.50000000000000 0.57488560783455 107.868 > 37 63 Ag 0.37500000000000 0.25000000000000 0.82488560783455 107.868 > 39 64 Ag 0.87500000000000 0.25000000000000 0.82488560783455 107.868 > 39 65 Ge 0.25000000000000 0.00000000000000 0.00000000000000 72.640 > 65 66 Ge 0.75000000000000 0.00000000000000 0.00000000000000 72.640 > 65 67 Ge 0.37500000000000 0.75000000000000 0.75000000000000 72.640 > 67 68 Ge 0.87500000000000 0.75000000000000 0.75000000000000 72.640 > 67 69 Ge 0.25000000000000 0.50000000000000 0.50000000000000 72.640 > 65 70 Ge 0.75000000000000 0.50000000000000 0.50000000000000 72.640 > 65 71 Ge 0.37500000000000 0.25000000000000 0.25000000000000 72.640 > 67 72 Ge 0.87500000000000 0.25000000000000 0.25000000000000 72.640 > 67 73 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 65 74 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 65 75 Ge 0.12500000000000 0.75000000000000 0.25000000000000 72.640 > 67 76 Ge 0.62500000000000 0.75000000000000 0.25000000000000 72.640 > 67 77 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 65 78 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 65 79 Ge 0.12500000000000 0.25000000000000 0.75000000000000 72.640 > 67 80 Ge 0.62500000000000 0.25000000000000 0.75000000000000 72.640 > 67 81 S 0.27769398164240 0.64602175941175 0.81190679835058 32.065 > 81 82 S 0.77769398164240 0.64602175941175 0.81190679835058 32.065 > 81 83 S 0.27769398164240 0.85397824058825 0.68809320164942 32.065 > 83 84 S 0.77769398164240 0.85397824058825 0.68809320164942 32.065 > 83 85 S 0.15269398164240 0.89602175941175 0.93809320164942 32.065 > 85 86 S 0.65269398164240 0.89602175941175 0.93809320164942 32.065 > 85 87 S 0.47230601835760 0.64602175941175 0.68809320164942 32.065 > 87 88 S 0.97230601835760 0.64602175941175 0.68809320164942 32.065 > 87 89 S 0.09730601835760 0.89602175941175 0.56190679835058 32.065 > 89 90 S 0.59730601835760 0.89602175941175 0.56190679835058 32.065 > 89 91 S 0.47230601835760 0.85397824058825 0.81190679835058 32.065 > 91 92 S 0.97230601835760 0.85397824058825 0.81190679835058 32.065 > 91 93 S 0.15269398164240 0.60397824058825 0.56190679835058 32.065 > 93 94 S 0.65269398164240 0.60397824058825 0.56190679835058 32.065 > 93 95 S 0.09730601835760 0.60397824058825 0.93809320164942 32.065 > 95 96 S 0.59730601835760 0.60397824058825 0.93809320164942 32.065 > 95 97 S 0.27769398164240 0.14602175941175 0.31190679835058 32.065 > 81 98 S 0.77769398164240 0.14602175941175 0.31190679835058 32.065 > 81 99 S 0.27769398164240 0.35397824058825 0.18809320164942 32.065 > 83 100 S 0.77769398164240 0.35397824058825 0.18809320164942 32.065 > 83 101 S 0.15269398164240 0.39602175941175 0.43809320164942 32.065 > 85 102 S 0.65269398164240 0.39602175941175 0.43809320164942 32.065 > 85 103 S 0.47230601835760 0.14602175941175 0.18809320164942 32.065 > 87 104 S 0.97230601835760 0.14602175941175 0.18809320164942 32.065 > 87 105 S 0.09730601835760 0.39602175941175 0.06190679835058 32.065 > 89 106 S 0.59730601835760 0.39602175941175 0.06190679835058 32.065 > 89 107 S 0.47230601835760 0.35397824058825 0.31190679835058 32.065 > 91 108 S 0.97230601835760 0.35397824058825 0.31190679835058 32.065 > 91 109 S 0.15269398164240 0.10397824058825 0.06190679835058 32.065 > 93 110 S 0.65269398164240 0.10397824058825 0.06190679835058 32.065 > 93 111 S 0.09730601835760 0.10397824058825 0.43809320164942 32.065 > 95 112 S 0.59730601835760 0.10397824058825 0.43809320164942 32.065 > 95 113 S 0.02769398164240 0.64602175941175 0.31190679835058 32.065 > 81 114 S 0.52769398164240 0.64602175941175 0.31190679835058 32.065 > 81 115 S 0.02769398164240 0.85397824058825 0.18809320164942 32.065 > 83 116 S 0.52769398164240 0.85397824058825 0.18809320164942 32.065 > 83 117 S 0.40269398164240 0.89602175941175 0.43809320164942 32.065 > 85 118 S 0.90269398164240 0.89602175941175 0.43809320164942 32.065 > 85 119 S 0.22230601835760 0.64602175941175 0.18809320164942 32.065 > 87 120 S 0.72230601835760 0.64602175941175 0.18809320164942 32.065 > 87 121 S 0.34730601835760 0.89602175941175 0.06190679835058 32.065 > 89 122 S 0.84730601835760 0.89602175941175 0.06190679835058 32.065 > 89 123 S 0.22230601835760 0.85397824058825 0.31190679835058 32.065 > 91 124 S 0.72230601835760 0.85397824058825 0.31190679835058 32.065 > 91 125 S 0.40269398164240 0.60397824058825 0.06190679835058 32.065 > 93 126 S 0.90269398164240 0.60397824058825 0.06190679835058 32.065 > 93 127 S 0.34730601835760 0.60397824058825 0.43809320164942 32.065 > 95 128 S 0.84730601835760 0.60397824058825 0.43809320164942 32.065 > 95 129 S 0.02769398164240 0.14602175941175 0.81190679835058 32.065 > 81 130 S 0.52769398164240 0.14602175941175 0.81190679835058 32.065 > 81 131 S 0.02769398164240 0.35397824058825 0.68809320164942 32.065 > 83 132 S 0.52769398164240 0.35397824058825 0.68809320164942 32.065 > 83 133 S 0.40269398164240 0.39602175941175 0.93809320164942 32.065 > 85 134 S 0.90269398164240 0.39602175941175 0.93809320164942 32.065 > 85 135 S 0.22230601835760 0.14602175941175 0.68809320164942 32.065 > 87 136 S 0.72230601835760 0.14602175941175 0.68809320164942 32.065 > 87 137 S 0.34730601835760 0.39602175941175 0.56190679835058 32.065 > 89 138 S 0.84730601835760 0.39602175941175 0.56190679835058 32.065 > 89 139 S 0.22230601835760 0.35397824058825 0.81190679835058 32.065 > 91 140 S 0.72230601835760 0.35397824058825 0.81190679835058 32.065 > 91 141 S 0.40269398164240 0.10397824058825 0.56190679835058 32.065 > 93 142 S 0.90269398164240 0.10397824058825 0.56190679835058 32.065 > 93 143 S 0.34730601835760 0.10397824058825 0.93809320164942 32.065 > 95 144 S 0.84730601835760 0.10397824058825 0.93809320164942 32.065 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7420472 0.0000000 0.0000000 0.0000000 5.1847849 0.0000000 0.0000000 0.0000000 6.2120471 -------------------------- Born effective charges -------------------------- 1 K 1.2493572 0.0059712 0.0000000 -0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 2 K 1.2493572 -0.0059712 0.0000000 0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 3 K 1.2493572 -0.0059712 0.0000000 0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 4 K 1.2493572 0.0059712 0.0000000 -0.0667204 1.3717459 0.0000000 0.0000000 0.0000000 1.2240380 5 Ag 0.6490713 0.3233455 0.0000000 0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 6 Ag 0.6490713 -0.3233455 0.0000000 -0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 7 Ag 0.6490713 0.3233455 0.0000000 0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 8 Ag 0.6490713 -0.3233455 0.0000000 -0.0521334 0.5623002 0.0000000 0.0000000 0.0000000 0.9534628 9 Ge 3.6792782 0.0000000 0.0000000 0.0000000 2.2648889 0.0000000 0.0000000 0.0000000 2.7914696 10 Ge 3.6792782 0.0000000 0.0000000 0.0000000 2.2648889 0.0000000 0.0000000 0.0000000 2.7914696 11 S -1.8690338 -0.3272855 0.4052476 -0.2609598 -1.5332453 0.4081844 0.5426492 0.4584554 -1.7866179 12 S -1.8690338 0.3272855 -0.4052476 0.2609598 -1.5332453 0.4081844 -0.5426492 0.4584554 -1.7866179 13 S -1.8690338 -0.3272855 -0.4052476 -0.2609598 -1.5332453 -0.4081844 -0.5426492 -0.4584554 -1.7866179 14 S -1.8690338 0.3272855 0.4052476 0.2609598 -1.5332453 -0.4081844 0.5426492 -0.4584554 -1.7866179 15 S -1.8690338 0.3272855 -0.4052476 0.2609598 -1.5332453 0.4081844 -0.5426492 0.4584554 -1.7866179 16 S -1.8690338 -0.3272855 -0.4052476 -0.2609598 -1.5332453 -0.4081844 -0.5426492 -0.4584554 -1.7866179 17 S -1.8690338 0.3272855 0.4052476 0.2609598 -1.5332453 -0.4081844 0.5426492 -0.4584554 -1.7866179 18 S -1.8690338 -0.3272855 0.4052476 -0.2609598 -1.5332453 0.4081844 0.5426492 0.4584554 -1.7866179 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yxz) -0.00000001 (yxz) -0.00000001 (yzx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.55, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.875 ( 0.000 0.000 0.000) 0.000 1.071 ( 0.000 0.000 0.000) 0.000 1.157 ( 0.000 0.000 0.000) 0.000 1.165 ( 0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 -0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.444 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 -0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 -0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 -0.000) 0.000 3.306 ( 0.000 0.000 -0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 -0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 -0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.638 ( 0.000 0.000 0.000) 0.000 9.967 ( 0.000 0.000 0.000) 0.000 10.042 ( 0.000 0.000 0.000) 0.000 10.337 ( 0.000 0.000 0.000) 0.000 10.594 ( 0.000 0.000 0.000) 0.000 10.654 ( 0.000 0.000 0.000) 0.000 11.151 ( 0.000 0.000 0.000) 0.000 11.341 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -11.882 11.820 2.838) 16.998 0.398 ( -17.789 5.900 1.921) 18.840 0.695 ( -30.227 5.319 8.991) 31.982 0.872 ( 0.220 0.676 -0.193) 0.737 1.134 ( -2.188 0.569 -1.817) 2.901 1.163 ( -3.529 3.969 -0.457) 5.330 1.280 ( -6.071 -6.516 1.646) 9.056 1.364 ( -0.256 1.191 0.231) 1.240 1.421 ( 2.441 0.228 0.912) 2.615 1.492 ( 0.171 9.599 5.706) 11.169 1.595 ( -0.715 0.150 0.377) 0.822 1.654 ( 2.336 0.701 0.261) 2.453 2.022 ( -11.396 -0.752 -2.183) 11.628 2.151 ( -1.132 1.627 -1.812) 2.686 2.217 ( -2.354 -4.317 -7.313) 8.812 2.246 ( 5.805 1.341 1.916) 6.258 2.281 ( -0.332 -3.838 2.137) 4.405 2.518 ( -0.026 -0.083 0.076) 0.115 2.862 ( 5.598 -2.583 -0.754) 6.211 2.892 ( 3.727 -1.567 0.125) 4.045 3.023 ( 5.846 5.438 -2.062) 8.246 3.134 ( 1.045 -1.654 -0.440) 2.006 3.173 ( 4.331 -0.645 -1.137) 4.524 3.339 ( 5.362 10.810 -0.001) 12.066 3.534 ( 2.175 -1.384 -1.431) 2.948 3.763 ( -2.458 -5.111 -0.279) 5.678 3.809 ( 0.021 -6.349 5.754) 8.568 4.006 ( -1.186 8.679 -9.083) 12.619 4.156 ( 1.011 -2.252 6.721) 7.160 4.251 ( 5.079 0.264 -0.303) 5.095 4.506 ( 4.544 4.024 0.599) 6.099 4.725 ( 2.845 1.456 -0.670) 3.265 4.906 ( 1.189 0.668 -4.949) 5.134 4.957 ( 1.361 -0.157 -0.383) 1.423 5.338 ( 1.827 0.127 1.019) 2.096 5.814 ( 1.108 -1.103 -1.430) 2.118 5.977 ( 0.121 -0.641 2.093) 2.192 6.078 ( 2.556 -1.952 10.322) 10.812 7.401 ( -10.644 0.787 -0.127) 10.674 7.477 ( -10.651 -0.478 0.006) 10.662 8.299 ( 0.557 -0.324 -0.032) 0.645 8.387 ( 2.692 -0.721 -0.281) 2.801 9.090 ( 0.010 -2.526 -0.834) 2.660 9.152 ( 4.300 0.036 -0.240) 4.307 9.367 ( 5.668 6.125 0.246) 8.349 9.543 ( -8.557 0.258 0.929) 8.611 9.587 ( 5.671 0.279 -0.552) 5.705 9.958 ( -0.319 -1.425 -1.547) 2.128 10.318 ( -4.859 -2.122 -9.999) 11.318 10.537 ( -1.622 -7.549 -3.034) 8.296 10.607 ( -1.600 -6.648 6.839) 9.671 11.053 ( 0.943 -0.345 -1.965) 2.207 11.151 ( 0.928 -0.390 2.975) 3.141 11.363 ( -1.527 2.568 -1.422) 3.309 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -8.394 11.441 3.688) 14.662 0.711 ( -12.426 2.006 -2.534) 12.839 0.866 ( -0.835 0.732 -1.608) 1.954 1.151 ( -2.069 3.084 -1.036) 3.855 1.186 ( -16.056 0.389 0.464) 16.067 1.311 ( -1.227 3.946 2.468) 4.813 1.352 ( -5.324 -3.303 2.555) 6.766 1.370 ( -2.973 0.720 0.728) 3.145 1.415 ( -0.442 2.060 7.030) 7.339 1.595 ( -2.030 3.623 0.775) 4.225 1.676 ( -6.883 0.366 -0.722) 6.930 1.758 ( -11.497 5.644 5.665) 14.004 2.091 ( 5.806 -1.238 -1.553) 6.136 2.151 ( 0.396 -1.375 -3.678) 3.947 2.167 ( -0.996 0.507 -1.662) 2.003 2.250 ( -6.176 -0.720 0.449) 6.234 2.296 ( -3.275 -1.710 1.538) 4.002 2.519 ( 0.242 0.885 -0.349) 0.981 2.701 ( 7.901 -4.641 -1.363) 9.264 2.739 ( 10.516 -1.579 1.089) 10.690 2.975 ( 5.296 7.879 -0.686) 9.518 3.018 ( 7.506 -1.803 -4.508) 8.939 3.119 ( 1.172 -0.705 -1.147) 1.785 3.334 ( 4.085 6.995 0.885) 8.149 3.462 ( 1.995 -4.066 -2.365) 5.109 3.707 ( 0.094 -9.044 2.346) 9.344 3.851 ( -1.734 -0.167 3.128) 3.581 4.019 ( 0.239 2.528 -6.592) 7.064 4.103 ( 9.194 1.534 -0.449) 9.332 4.143 ( 3.964 -1.665 1.686) 4.618 4.478 ( 4.320 7.219 1.519) 8.549 4.674 ( 3.272 1.035 -1.429) 3.717 4.863 ( 1.746 0.797 -1.986) 2.762 4.940 ( -0.193 0.074 -0.581) 0.617 5.300 ( 3.763 0.794 3.127) 4.957 5.757 ( 2.521 -2.218 -2.428) 4.144 5.973 ( 1.340 -0.791 2.901) 3.292 6.064 ( 1.432 -2.401 4.407) 5.219 7.668 ( -17.929 1.094 -0.072) 17.963 7.729 ( -17.642 -0.497 -0.489) 17.656 8.282 ( 0.939 -0.514 -0.264) 1.103 8.316 ( 3.922 -0.871 -0.415) 4.039 9.049 ( 2.044 -1.627 -0.616) 2.684 9.107 ( 0.899 0.056 0.562) 1.062 9.289 ( 8.378 3.793 0.777) 9.229 9.441 ( 10.648 0.352 -0.721) 10.679 9.706 ( -8.424 0.407 1.166) 8.514 9.944 ( -0.745 -1.876 -1.660) 2.613 10.326 ( -3.118 -3.434 -6.558) 8.033 10.485 ( 1.235 0.353 -4.646) 4.820 10.603 ( 0.648 -4.789 6.550) 8.140 11.029 ( -0.090 -2.007 -0.023) 2.009 11.141 ( 1.537 -0.602 2.972) 3.399 11.411 ( -1.953 2.962 -2.024) 4.085 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -2.221 0.125 -3.484) 4.134 0.860 ( -5.396 5.934 3.218) 8.642 0.910 ( -2.816 5.037 -0.691) 5.812 1.217 ( -2.360 0.393 -1.472) 2.809 1.294 ( 1.721 0.770 1.203) 2.237 1.350 ( -6.080 -0.204 -2.203) 6.470 1.425 ( -3.167 -1.287 1.691) 3.814 1.479 ( -2.462 1.825 3.337) 4.531 1.536 ( -7.160 5.630 0.908) 9.154 1.700 ( -3.539 1.125 5.797) 6.885 1.788 ( -5.809 -1.116 -3.581) 6.914 1.962 ( -1.947 -0.615 4.963) 5.366 2.065 ( -2.103 -0.189 0.692) 2.222 2.075 ( 1.616 -1.766 1.834) 3.016 2.175 ( 0.835 0.424 -3.955) 4.065 2.333 ( -3.456 -1.544 0.559) 3.826 2.360 ( -3.336 -2.287 -5.179) 6.571 2.516 ( -0.993 2.883 -1.511) 3.403 2.545 ( 4.214 -0.312 5.219) 6.715 2.632 ( 1.552 0.798 3.949) 4.318 2.811 ( 8.971 -2.240 -5.935) 10.987 2.975 ( 3.207 6.892 2.686) 8.063 3.088 ( 0.134 1.121 -5.127) 5.250 3.309 ( 3.701 1.968 -1.567) 4.475 3.388 ( 0.789 -2.948 -0.911) 3.185 3.637 ( 2.666 -6.737 3.847) 8.203 3.823 ( 7.772 -1.991 -0.596) 8.045 3.943 ( 4.870 -0.151 4.333) 6.520 4.005 ( 1.155 -0.933 1.257) 1.946 4.067 ( 3.018 2.304 -8.659) 9.455 4.482 ( 2.754 6.376 0.998) 7.017 4.618 ( 2.419 -0.039 -1.775) 3.001 4.852 ( -0.611 1.495 -1.589) 2.265 4.956 ( -1.030 0.508 -0.129) 1.156 5.269 ( 2.923 1.822 5.096) 6.151 5.664 ( 3.695 -2.896 -2.917) 5.527 5.951 ( 1.929 -0.400 2.452) 3.145 6.035 ( 1.141 -2.570 1.564) 3.218 8.018 ( -19.521 0.898 -0.201) 19.542 8.059 ( -19.364 -0.227 -0.780) 19.381 8.243 ( 2.546 -0.770 -0.241) 2.671 8.263 ( 0.448 -0.388 -0.045) 0.594 8.987 ( 3.659 -1.242 -0.350) 3.880 9.114 ( -0.798 -0.305 0.805) 1.174 9.145 ( 10.451 2.641 0.459) 10.789 9.217 ( 14.053 0.138 -0.543) 14.064 9.853 ( -6.860 0.372 0.931) 6.932 9.941 ( -0.992 -0.896 -0.208) 1.353 10.283 ( 0.800 -3.545 -5.664) 6.730 10.466 ( -0.627 2.220 -4.700) 5.236 10.577 ( 1.968 -3.798 6.181) 7.517 11.022 ( -0.644 -1.766 0.789) 2.038 11.123 ( 1.455 -0.127 1.755) 2.283 11.454 ( -1.503 2.096 -1.821) 3.157 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -0.087 -0.025 -1.348) 1.351 0.941 ( -2.259 -0.209 -0.924) 2.449 1.036 ( -1.755 6.576 4.191) 7.993 1.204 ( 1.117 -2.064 -1.896) 3.017 1.290 ( 0.173 0.250 0.604) 0.677 1.404 ( -1.665 -0.341 -1.289) 2.133 1.467 ( -2.077 0.706 -1.261) 2.531 1.535 ( -1.264 -0.182 0.897) 1.561 1.680 ( -0.526 2.164 0.671) 2.326 1.766 ( -5.810 0.991 2.735) 6.498 1.875 ( -3.154 0.405 -0.854) 3.292 1.975 ( 2.269 -0.557 1.095) 2.580 1.992 ( 3.028 -0.858 0.378) 3.169 2.089 ( 1.425 -5.822 3.963) 7.185 2.111 ( 0.497 2.187 -4.869) 5.361 2.284 ( 0.990 0.147 -2.778) 2.953 2.431 ( -2.729 -0.416 4.992) 5.704 2.545 ( 2.957 1.520 -1.842) 3.801 2.602 ( -1.373 -2.040 -0.737) 2.567 2.638 ( -2.184 2.438 -0.512) 3.313 2.707 ( -1.684 -0.424 0.975) 1.992 2.994 ( 0.405 0.883 1.540) 1.820 3.113 ( -1.008 7.939 -1.384) 8.121 3.216 ( 2.092 -6.862 -2.859) 7.722 3.400 ( -1.576 4.398 -0.388) 4.688 3.532 ( 4.387 -6.092 2.534) 7.923 3.638 ( 7.421 -0.423 -0.498) 7.450 3.920 ( 0.841 -2.349 5.087) 5.666 3.995 ( 0.135 -0.645 -0.221) 0.695 4.004 ( 1.105 2.757 -6.098) 6.783 4.492 ( 1.005 2.812 0.356) 3.008 4.576 ( 0.907 -0.599 -0.959) 1.449 4.881 ( -1.597 1.001 -1.261) 2.268 4.965 ( 0.537 0.125 0.663) 0.862 5.287 ( -0.037 1.586 3.129) 3.508 5.566 ( 2.513 -1.912 -1.961) 3.717 5.932 ( 0.917 0.014 1.045) 1.391 6.006 ( 0.483 -1.268 0.175) 1.368 8.196 ( 0.585 0.289 -0.324) 0.729 8.215 ( -0.647 -0.581 -0.502) 1.004 8.369 ( -13.604 -0.104 -0.172) 13.605 8.387 ( -12.501 0.251 0.501) 12.513 8.860 ( 9.169 -0.048 0.117) 9.170 8.968 ( 11.187 0.227 -0.261) 11.192 9.026 ( 3.021 0.032 -0.066) 3.022 9.137 ( -0.595 0.064 0.362) 0.699 9.924 ( -1.258 -0.639 -0.543) 1.512 9.992 ( -3.282 1.219 2.089) 4.077 10.198 ( 2.403 -1.901 -3.298) 4.501 10.480 ( -1.228 1.303 -3.253) 3.713 10.545 ( 1.551 -1.932 3.822) 4.555 11.025 ( -0.389 -0.774 0.446) 0.974 11.109 ( 0.640 0.133 0.504) 0.825 11.477 ( -0.556 0.742 -0.746) 1.190 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.189 ( -0.000 0.000 17.423) 17.423 0.234 ( -0.000 0.000 21.556) 21.556 0.352 ( -0.000 0.000 31.145) 31.145 0.880 ( -0.000 0.000 0.923) 0.923 1.080 ( -0.000 0.000 1.760) 1.760 1.101 ( 0.000 -0.000 -5.903) 5.903 1.213 ( -0.000 0.000 4.488) 4.488 1.292 ( 0.000 -0.000 -1.917) 1.917 1.472 ( -0.000 0.000 5.023) 5.023 1.581 ( 0.000 -0.000 -0.215) 0.215 1.648 ( -0.000 0.000 5.872) 5.872 1.718 ( 0.000 -0.000 -0.542) 0.542 1.865 ( 0.000 -0.000 -2.972) 2.972 2.044 ( 0.000 -0.000 -5.690) 5.690 2.121 ( 0.000 -0.000 -3.182) 3.182 2.291 ( -0.000 0.000 2.013) 2.013 2.305 ( -0.000 0.000 4.106) 4.106 2.514 ( 0.000 -0.000 -0.626) 0.626 2.922 ( -0.000 0.000 0.724) 0.724 2.925 ( -0.000 0.000 0.928) 0.928 3.033 ( 0.000 -0.000 -6.158) 6.158 3.163 ( -0.000 0.000 2.708) 2.708 3.182 ( 0.000 -0.000 -7.156) 7.156 3.314 ( -0.000 0.000 1.513) 1.513 3.552 ( 0.000 -0.000 -2.261) 2.261 3.831 ( -0.000 0.000 6.752) 6.752 3.853 ( 0.000 -0.000 -14.965) 14.965 3.947 ( -0.000 0.000 2.197) 2.197 4.212 ( -0.000 0.000 6.846) 6.846 4.288 ( 0.000 -0.000 -1.373) 1.373 4.538 ( -0.000 0.000 0.691) 0.691 4.736 ( 0.000 -0.000 -1.599) 1.599 4.775 ( -0.000 0.000 1.557) 1.557 4.971 ( 0.000 -0.000 -0.804) 0.804 5.359 ( -0.000 0.000 1.899) 1.899 5.819 ( 0.000 -0.000 -2.355) 2.355 6.000 ( -0.000 0.000 4.646) 4.646 6.424 ( 0.000 -0.000 -1.282) 1.282 7.300 ( 0.000 -0.000 -0.065) 0.065 7.397 ( 0.000 -0.000 -1.286) 1.286 8.310 ( -0.000 0.000 0.744) 0.744 8.413 ( 0.000 -0.000 -0.523) 0.523 9.046 ( -0.000 0.000 0.653) 0.653 9.204 ( 0.000 -0.000 -1.905) 1.905 9.378 ( -0.000 0.000 2.431) 2.431 9.453 ( -0.000 0.000 2.602) 2.602 9.631 ( 0.000 -0.000 -1.279) 1.279 9.947 ( 0.000 -0.000 -3.573) 3.573 10.052 ( -0.000 0.000 1.892) 1.892 10.525 ( 0.000 -0.000 -8.371) 8.371 10.722 ( -0.000 0.000 8.152) 8.152 11.032 ( -0.000 0.000 2.495) 2.495 11.143 ( 0.000 -0.000 -1.470) 1.470 11.333 ( 0.000 -0.000 -1.376) 1.376 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -11.585 3.801 8.348) 14.777 0.466 ( -9.723 7.544 9.945) 15.822 0.828 ( -20.265 2.436 12.465) 23.916 0.869 ( -0.583 1.625 0.408) 1.774 1.091 ( -1.449 1.584 -4.933) 5.379 1.181 ( -6.334 4.155 3.257) 8.245 1.300 ( -4.900 -2.654 1.450) 5.758 1.341 ( -3.846 2.021 -2.589) 5.058 1.486 ( 1.364 -1.455 8.764) 8.988 1.575 ( 3.727 2.474 9.242) 10.268 1.604 ( -0.430 0.253 1.323) 1.414 1.665 ( 1.190 3.040 2.671) 4.218 1.984 ( -10.429 -0.730 -4.488) 11.377 2.096 ( -3.195 -2.095 -10.289) 10.976 2.128 ( -3.261 0.169 -5.580) 6.466 2.295 ( 4.316 1.359 6.195) 7.672 2.301 ( 0.240 -1.024 1.942) 2.209 2.516 ( 0.380 1.281 -0.339) 1.378 2.847 ( 5.121 -5.303 -2.939) 7.936 2.894 ( 3.868 -2.074 0.196) 4.393 2.984 ( 4.211 6.771 -4.571) 9.191 3.112 ( 3.272 -3.085 -6.857) 8.200 3.153 ( 1.306 -1.450 0.680) 2.067 3.343 ( 3.574 9.088 1.141) 9.832 3.512 ( 1.671 -2.547 -2.459) 3.915 3.757 ( -1.716 -6.340 -5.351) 8.472 3.864 ( 1.418 1.957 5.064) 5.611 3.939 ( 0.805 4.669 0.417) 4.757 4.209 ( 3.137 -1.672 1.889) 4.025 4.247 ( 3.273 -0.773 -0.033) 3.364 4.517 ( 4.238 4.053 1.366) 6.021 4.710 ( 3.048 1.943 -2.220) 4.243 4.850 ( -1.837 1.104 -3.748) 4.317 4.949 ( 1.366 -0.067 -1.164) 1.796 5.362 ( 1.443 0.114 3.662) 3.938 5.787 ( 1.173 -1.171 -3.482) 3.856 6.021 ( 0.530 -1.077 5.670) 5.795 6.204 ( 8.478 -4.418 9.954) 13.802 7.399 ( -10.826 0.450 -0.059) 10.836 7.474 ( -10.407 -0.522 -0.803) 10.451 8.301 ( 0.866 -0.373 0.395) 1.022 8.381 ( 2.722 -0.669 -0.810) 2.917 9.079 ( -0.440 -1.393 -0.877) 1.704 9.145 ( 3.730 0.629 -1.043) 3.924 9.377 ( 4.528 4.008 1.740) 6.293 9.563 ( -8.028 0.225 2.706) 8.475 9.576 ( 5.479 0.303 -1.615) 5.720 9.927 ( -0.929 -1.336 -4.298) 4.595 10.211 ( -8.427 -1.500 -7.283) 11.239 10.470 ( 1.448 1.015 -7.853) 8.050 10.706 ( -0.610 -9.403 9.708) 13.530 11.040 ( 1.892 2.526 -0.265) 3.167 11.179 ( -1.223 -0.968 1.615) 2.245 11.339 ( -1.840 1.255 -2.789) 3.569 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -11.320 3.192 0.287) 11.765 0.712 ( -6.206 8.008 5.393) 11.477 0.841 ( -0.005 1.075 -3.102) 3.283 1.123 ( -4.478 3.367 -4.145) 6.969 1.203 ( -10.919 -1.265 2.489) 11.271 1.333 ( -0.338 2.701 1.405) 3.063 1.382 ( -6.185 1.494 2.294) 6.764 1.385 ( -3.524 -1.230 2.732) 4.626 1.509 ( 2.608 0.867 9.219) 9.620 1.605 ( -4.179 2.935 1.154) 5.235 1.688 ( -6.743 -1.523 3.186) 7.612 1.836 ( -10.937 3.482 8.762) 14.440 2.039 ( -0.624 -2.916 -7.551) 8.118 2.120 ( -2.368 -0.012 -2.413) 3.381 2.144 ( -3.304 0.506 -2.299) 4.057 2.275 ( 0.643 -0.224 3.823) 3.883 2.308 ( -1.188 -0.839 1.084) 1.814 2.510 ( 2.209 2.348 -1.497) 3.554 2.681 ( 5.264 -3.428 -2.700) 6.838 2.757 ( 8.766 -1.547 2.285) 9.190 2.943 ( 6.687 -2.467 -7.115) 10.071 2.972 ( 3.552 6.975 -2.384) 8.182 3.099 ( 2.771 -1.881 -1.840) 3.821 3.349 ( 4.717 7.511 2.030) 9.098 3.435 ( 1.376 -5.154 -2.637) 5.951 3.720 ( -0.354 -3.706 -1.204) 3.912 3.894 ( 0.041 -0.802 4.865) 4.931 3.955 ( 1.761 5.971 -3.678) 7.231 4.098 ( 8.145 1.023 -0.491) 8.224 4.153 ( 4.782 -4.937 0.008) 6.873 4.493 ( 4.170 6.573 1.278) 7.888 4.651 ( 3.323 1.305 -2.851) 4.568 4.841 ( 0.815 0.354 -1.672) 1.893 4.931 ( -0.288 0.516 -1.161) 1.302 5.350 ( 3.004 0.488 5.954) 6.687 5.721 ( 2.412 -2.086 -4.315) 5.365 6.015 ( 1.989 -1.568 4.844) 5.466 6.115 ( 3.634 -3.376 4.412) 6.638 7.668 ( -18.016 0.888 0.066) 18.038 7.721 ( -17.637 -0.381 -1.046) 17.672 8.279 ( 1.267 -0.487 -0.233) 1.377 8.309 ( 3.701 -0.655 -0.709) 3.825 9.042 ( 2.006 -1.696 -0.601) 2.695 9.112 ( 0.731 0.900 0.395) 1.225 9.302 ( 8.291 2.797 1.710) 8.916 9.429 ( 10.336 0.419 -1.442) 10.444 9.724 ( -8.026 0.285 2.256) 8.342 9.919 ( -1.911 -1.651 -2.972) 3.900 10.260 ( -3.300 -2.735 -5.173) 6.718 10.416 ( 1.553 2.980 -7.261) 8.001 10.687 ( 0.611 -6.996 8.244) 10.829 11.028 ( 0.943 1.267 -0.142) 1.586 11.174 ( 1.006 -2.614 2.844) 3.992 11.382 ( -2.586 2.558 -3.145) 4.809 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -3.085 -0.384 -2.976) 4.304 0.867 ( -4.077 0.496 -2.304) 4.709 0.935 ( -5.392 9.418 5.680) 12.249 1.193 ( -2.530 1.812 -3.214) 4.474 1.306 ( 0.189 -0.387 1.263) 1.334 1.341 ( -3.273 -1.701 0.202) 3.694 1.441 ( -2.278 -1.542 1.301) 3.044 1.516 ( -0.094 1.899 3.195) 3.718 1.554 ( -6.655 5.046 2.673) 8.769 1.751 ( -7.895 -0.287 -1.004) 7.963 1.764 ( -0.824 -1.750 3.296) 3.822 2.014 ( -5.515 -1.827 1.933) 6.123 2.043 ( -0.720 -0.426 -2.053) 2.217 2.077 ( 2.140 -2.101 -0.132) 3.001 2.179 ( 1.729 -0.932 3.469) 3.987 2.284 ( 0.320 -1.573 -5.977) 6.189 2.360 ( -6.198 -0.710 1.694) 6.465 2.502 ( -3.207 3.217 -1.085) 4.670 2.595 ( 4.575 1.291 3.825) 6.102 2.687 ( 0.486 -0.154 6.130) 6.152 2.735 ( 7.560 -3.029 -7.332) 10.959 3.004 ( 1.224 8.248 2.260) 8.639 3.019 ( 1.330 0.250 -7.084) 7.212 3.299 ( 4.385 -1.629 -0.647) 4.723 3.383 ( 1.498 1.774 0.429) 2.361 3.672 ( 3.172 -3.686 2.117) 5.304 3.813 ( 8.840 -2.534 -1.221) 9.276 3.948 ( 2.845 5.179 -8.279) 10.172 3.995 ( 4.397 2.368 3.890) 6.330 4.040 ( 1.755 -4.653 2.120) 5.406 4.490 ( 2.660 5.631 0.703) 6.267 4.593 ( 2.119 0.448 -2.791) 3.532 4.836 ( -1.226 0.110 -1.295) 1.786 4.952 ( -1.367 1.010 -0.561) 1.790 5.335 ( 2.957 0.767 6.883) 7.530 5.624 ( 3.351 -2.433 -4.480) 6.101 5.982 ( 2.581 -1.296 3.178) 4.295 6.050 ( 2.278 -2.893 1.099) 3.843 8.017 ( -19.157 0.981 -0.083) 19.182 8.048 ( -18.998 0.020 -1.153) 19.033 8.240 ( 1.779 -0.745 -0.248) 1.945 8.263 ( 0.326 -0.103 0.001) 0.342 8.983 ( 3.148 -1.559 -0.350) 3.530 9.124 ( -0.345 0.571 0.811) 1.050 9.152 ( 10.845 1.858 0.880) 11.038 9.209 ( 13.714 0.275 -0.927) 13.748 9.864 ( -5.971 -0.290 1.006) 6.062 9.940 ( -2.705 -0.073 0.202) 2.713 10.230 ( 0.768 -2.818 -4.132) 5.060 10.400 ( -0.748 3.280 -6.611) 7.417 10.653 ( 1.834 -5.563 7.192) 9.276 11.025 ( 0.891 1.889 -0.257) 2.104 11.143 ( 0.915 -3.050 1.808) 3.662 11.432 ( -2.219 2.124 -2.137) 3.742 ======================= Grid point 14 (10/125) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -1.889 -0.792 -1.175) 2.361 0.929 ( -3.477 -0.834 -1.147) 3.755 1.081 ( 0.368 3.608 3.875) 5.307 1.190 ( 0.148 -1.147 -0.633) 1.319 1.297 ( 0.473 -0.620 0.802) 1.118 1.384 ( -2.935 0.392 -2.189) 3.682 1.467 ( -1.787 0.337 0.766) 1.973 1.552 ( -0.216 -0.408 2.515) 2.557 1.673 ( -0.593 1.081 -1.912) 2.275 1.783 ( -6.378 -2.401 1.019) 6.890 1.868 ( -2.480 0.792 -1.599) 3.055 1.987 ( 2.332 -1.105 0.396) 2.611 2.006 ( 5.251 1.737 3.159) 6.369 2.047 ( 2.000 1.134 -4.367) 4.935 2.142 ( -0.219 -5.007 3.313) 6.008 2.256 ( -1.750 1.278 -2.408) 3.240 2.463 ( 1.133 -0.001 -0.285) 1.168 2.516 ( -0.356 -1.052 -0.835) 1.390 2.623 ( -2.935 -0.981 2.504) 3.981 2.643 ( -1.029 0.842 1.656) 2.124 2.714 ( -0.518 -1.352 0.679) 1.600 2.973 ( -0.417 0.732 -4.727) 4.801 3.119 ( -2.183 10.006 2.206) 10.476 3.197 ( 2.172 -6.058 -1.074) 6.524 3.409 ( 0.268 6.658 1.987) 6.954 3.559 ( 6.049 -5.920 2.426) 8.805 3.627 ( 6.012 -1.909 -1.458) 6.474 3.864 ( 2.446 4.264 -9.826) 10.987 4.002 ( 1.207 1.133 1.270) 2.086 4.032 ( -1.111 -1.306 5.949) 6.191 4.496 ( 0.778 1.529 0.330) 1.747 4.563 ( 0.327 0.839 -1.398) 1.663 4.871 ( -3.028 -0.332 -0.670) 3.119 4.966 ( 0.371 -0.237 -0.390) 0.588 5.323 ( 2.452 -0.702 3.375) 4.230 5.544 ( 0.959 -0.322 -2.147) 2.374 5.944 ( 1.588 -1.321 1.031) 2.309 6.007 ( 0.962 -0.674 0.000) 1.175 8.193 ( 0.177 0.502 -0.350) 0.637 8.209 ( -0.876 0.433 -0.485) 1.091 8.368 ( -13.429 -0.325 -0.047) 13.433 8.392 ( -12.258 0.114 0.420) 12.266 8.861 ( 9.127 -0.353 0.100) 9.135 8.965 ( 11.027 0.644 -0.241) 11.048 9.025 ( 2.596 -1.073 0.016) 2.809 9.140 ( 0.254 1.071 0.256) 1.130 9.919 ( -1.839 -1.019 -0.371) 2.135 10.014 ( -1.486 1.583 1.864) 2.862 10.174 ( -0.058 -1.469 -1.095) 1.833 10.416 ( -1.834 2.998 -6.456) 7.350 10.610 ( 2.257 -4.262 6.066) 7.749 11.022 ( 1.675 3.369 -0.878) 3.863 11.116 ( -0.392 -3.456 0.701) 3.548 11.469 ( -1.329 0.960 -0.652) 1.764 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -1.903 -0.811 0.874) 2.246 0.947 ( 0.908 -0.428 0.258) 1.036 0.999 ( 3.363 -7.941 -2.413) 8.955 1.224 ( -0.989 1.558 1.501) 2.379 1.285 ( 0.331 -0.805 -0.130) 0.880 1.409 ( 0.435 1.645 -0.227) 1.717 1.502 ( 2.977 -0.870 5.123) 5.989 1.530 ( 1.546 -0.688 -0.142) 1.698 1.653 ( -1.788 -2.317 -4.634) 5.480 1.733 ( 8.134 -4.053 -2.437) 9.409 1.895 ( 2.737 0.971 2.310) 3.711 1.965 ( 1.604 0.253 -0.559) 1.717 1.990 ( -3.410 1.434 -0.149) 3.702 2.036 ( -2.332 2.560 -4.484) 5.665 2.175 ( -1.849 0.831 6.039) 6.370 2.298 ( -3.494 0.701 -1.666) 3.934 2.382 ( 3.118 0.562 -2.657) 4.135 2.559 ( -0.798 -3.493 1.840) 4.028 2.619 ( 5.876 1.897 1.160) 6.283 2.652 ( 0.429 -3.491 0.754) 3.597 2.695 ( -1.641 0.375 -0.587) 1.783 2.962 ( -0.845 -2.103 -3.243) 3.957 3.129 ( 0.135 -3.950 0.956) 4.066 3.257 ( -2.791 7.090 4.056) 8.632 3.411 ( 3.372 -4.693 0.964) 5.859 3.510 ( -2.143 7.602 -1.331) 8.010 3.638 ( -8.722 -0.794 -0.316) 8.764 3.846 ( -0.860 4.685 -6.338) 7.928 3.989 ( 1.104 0.896 -0.399) 1.477 4.090 ( -2.367 -1.464 6.750) 7.302 4.487 ( -1.064 -3.660 -0.525) 3.848 4.583 ( -1.418 1.536 0.409) 2.130 4.898 ( 0.704 -1.890 1.916) 2.782 4.950 ( -1.361 -0.827 -1.999) 2.556 5.261 ( 2.056 -3.035 -1.661) 4.024 5.583 ( -3.464 2.827 1.130) 4.612 5.923 ( -0.373 -0.984 -0.635) 1.229 6.004 ( 0.013 1.583 -0.191) 1.595 8.199 ( -1.029 0.194 0.187) 1.064 8.219 ( 0.607 1.220 0.273) 1.390 8.371 ( 13.403 -0.056 0.271) 13.406 8.382 ( 13.003 -0.452 -0.423) 13.018 8.859 ( -9.213 -0.197 -0.077) 9.216 8.970 ( -11.318 0.180 0.156) 11.320 9.027 ( -3.480 -1.167 0.104) 3.672 9.133 ( 1.420 0.924 -0.283) 1.718 9.931 ( 0.287 0.197 0.559) 0.659 9.973 ( 4.654 -0.735 -1.437) 4.926 10.241 ( -4.039 2.220 4.299) 6.303 10.441 ( -1.577 3.549 -6.192) 7.309 10.571 ( 1.362 -3.559 4.284) 5.733 11.015 ( 2.369 4.891 -1.214) 5.569 11.106 ( -1.617 -3.646 -0.119) 3.991 11.484 ( -0.115 -0.575 0.488) 0.763 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 5.270 -9.268 -1.309) 10.742 0.853 ( 1.305 -0.292 1.771) 2.219 0.915 ( 1.882 -2.271 -0.009) 2.950 1.228 ( 3.005 -0.217 0.629) 3.078 1.282 ( -1.955 -1.340 -0.766) 2.491 1.384 ( 5.802 1.302 3.070) 6.692 1.412 ( 4.955 -0.621 0.065) 4.994 1.443 ( 5.840 -2.357 -3.445) 7.178 1.530 ( 6.835 -5.745 -0.253) 8.933 1.651 ( 1.705 -0.962 -2.774) 3.395 1.825 ( 7.764 -0.994 2.719) 8.287 1.920 ( -1.047 0.633 -2.596) 2.869 2.027 ( 4.843 -0.428 -2.873) 5.647 2.075 ( -3.868 2.423 0.202) 4.569 2.225 ( 0.824 -2.131 3.696) 4.345 2.313 ( 3.884 1.149 -1.998) 4.516 2.425 ( 1.336 3.822 5.958) 7.203 2.486 ( -1.324 2.965 -5.448) 6.342 2.534 ( 0.173 -2.466 1.368) 2.826 2.600 ( -3.750 -2.669 -1.836) 4.955 2.856 ( -10.208 1.269 2.263) 10.533 2.952 ( -4.223 -6.762 -1.337) 8.083 3.123 ( 0.270 -0.064 1.491) 1.517 3.330 ( -1.514 -5.024 1.698) 5.515 3.395 ( -2.320 4.749 0.295) 5.294 3.603 ( -1.067 9.260 -1.904) 9.514 3.826 ( -6.599 1.496 0.129) 6.767 3.908 ( -7.489 1.965 -1.884) 7.969 3.990 ( -0.946 2.550 -0.851) 2.850 4.144 ( -2.013 -3.671 4.287) 5.992 4.471 ( -2.606 -6.820 -0.845) 7.350 4.631 ( -2.603 0.233 0.605) 2.682 4.866 ( 0.332 -2.227 0.802) 2.391 4.956 ( 0.412 -0.340 -0.122) 0.548 5.231 ( -2.896 -2.359 -1.882) 4.183 5.686 ( -3.918 3.097 1.027) 5.099 5.932 ( -1.529 -0.135 -0.918) 1.789 6.021 ( -0.208 2.240 -0.747) 2.370 8.020 ( 19.777 -0.786 0.097) 19.793 8.064 ( 19.561 0.344 0.262) 19.566 8.245 ( -3.070 0.754 0.092) 3.163 8.264 ( -0.480 0.587 0.040) 0.759 8.990 ( -4.092 1.000 0.152) 4.215 9.108 ( 1.358 0.731 -0.331) 1.577 9.142 ( -10.399 -2.936 -0.144) 10.807 9.221 ( -14.232 -0.085 0.174) 14.234 9.845 ( 7.193 -0.602 -0.358) 7.227 9.943 ( 0.217 1.235 0.141) 1.262 10.344 ( -1.100 3.765 4.837) 6.227 10.463 ( -0.267 4.606 -3.974) 6.090 10.555 ( -1.407 -3.430 1.167) 3.887 11.013 ( 2.184 5.696 -0.708) 6.142 11.109 ( -2.079 -3.037 -0.685) 3.744 11.468 ( 1.037 -2.122 0.706) 2.465 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 8.200 -12.320 -0.000) 14.799 0.728 ( 13.441 -2.257 -0.000) 13.629 0.875 ( 1.256 -0.330 -0.000) 1.298 1.155 ( 0.696 -3.206 -0.000) 3.280 1.185 ( 20.033 -1.572 -0.000) 20.094 1.294 ( 2.018 -3.471 -0.000) 4.015 1.336 ( 6.198 4.594 0.000) 7.715 1.364 ( -1.016 0.009 0.000) 1.016 1.379 ( 2.651 -4.124 -0.000) 4.902 1.590 ( 1.188 -3.524 -0.000) 3.719 1.689 ( 5.080 -1.382 -0.000) 5.265 1.720 ( 13.353 -6.083 -0.000) 14.673 2.095 ( -9.593 0.105 0.000) 9.593 2.170 ( -4.000 2.010 0.000) 4.477 2.180 ( 4.053 -0.405 -0.000) 4.074 2.261 ( 9.808 -0.408 -0.000) 9.816 2.276 ( 2.837 3.889 0.000) 4.814 2.521 ( 0.391 -0.211 -0.000) 0.445 2.709 ( -8.557 4.717 0.000) 9.771 2.733 ( -11.109 1.586 0.000) 11.222 2.978 ( -6.039 -8.304 -0.000) 10.268 3.046 ( -8.779 0.925 0.000) 8.828 3.122 ( 0.342 0.896 0.000) 0.959 3.329 ( -3.722 -6.822 -0.000) 7.771 3.477 ( -2.668 2.726 0.000) 3.814 3.692 ( -0.010 11.112 0.000) 11.112 3.833 ( 2.852 -0.204 -0.000) 2.859 4.062 ( -2.183 6.452 0.000) 6.812 4.111 ( -11.070 -0.886 0.000) 11.105 4.125 ( 0.150 -7.290 -0.000) 7.292 4.468 ( -4.459 -7.309 -0.000) 8.562 4.682 ( -3.232 -0.936 -0.000) 3.365 4.875 ( -2.410 -0.837 -0.000) 2.551 4.944 ( 0.159 0.081 0.000) 0.178 5.284 ( -4.136 -0.853 -0.000) 4.223 5.771 ( -2.631 2.256 0.000) 3.466 5.957 ( -1.143 0.453 0.000) 1.230 6.037 ( 0.046 1.809 0.000) 1.809 7.669 ( 17.876 -1.173 -0.000) 17.914 7.731 ( 17.675 0.528 -0.000) 17.683 8.283 ( -0.852 0.530 0.000) 1.003 8.318 ( -3.991 0.954 0.000) 4.103 9.053 ( -2.128 1.570 0.000) 2.645 9.103 ( -0.889 0.335 0.000) 0.950 9.285 ( -8.470 -4.202 -0.000) 9.455 9.445 ( -10.760 -0.334 0.000) 10.766 9.700 ( 8.560 -0.434 -0.000) 8.571 9.953 ( 0.337 1.956 0.000) 1.985 10.372 ( 2.097 2.438 0.000) 3.216 10.501 ( 1.461 8.867 0.000) 8.987 10.571 ( -2.794 -3.036 -0.000) 4.126 11.029 ( 0.988 5.237 0.000) 5.330 11.122 ( -1.981 -1.842 -0.000) 2.705 11.422 ( 1.651 -3.158 -0.000) 3.563 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -0.000 0.000 16.386) 16.386 0.457 ( -0.000 0.000 19.917) 19.917 0.646 ( -0.000 0.000 22.961) 22.961 0.894 ( -0.000 0.000 1.547) 1.547 1.034 ( 0.000 -0.000 -6.496) 6.496 1.108 ( -0.000 0.000 3.151) 3.151 1.256 ( -0.000 0.000 3.480) 3.480 1.260 ( 0.000 -0.000 -3.755) 3.755 1.545 ( -0.000 0.000 8.170) 8.170 1.592 ( -0.000 0.000 2.111) 2.111 1.710 ( 0.000 -0.000 -1.076) 1.076 1.740 ( -0.000 0.000 12.076) 12.076 1.827 ( 0.000 -0.000 -3.722) 3.722 1.964 ( 0.000 -0.000 -8.802) 8.802 2.072 ( 0.000 -0.000 -5.912) 5.912 2.317 ( -0.000 0.000 2.639) 2.639 2.362 ( -0.000 0.000 5.822) 5.822 2.510 ( -0.000 0.000 0.333) 0.333 2.928 ( 0.000 -0.000 -13.798) 13.798 2.928 ( -0.000 0.000 0.098) 0.098 2.938 ( -0.000 0.000 1.400) 1.400 3.083 ( 0.000 -0.000 -10.506) 10.506 3.205 ( -0.000 0.000 4.973) 4.973 3.337 ( -0.000 0.000 2.789) 2.789 3.525 ( 0.000 -0.000 -2.815) 2.815 3.687 ( 0.000 -0.000 -15.014) 15.014 3.918 ( -0.000 0.000 8.855) 8.855 3.982 ( -0.000 0.000 4.273) 4.273 4.258 ( -0.000 0.000 1.327) 1.327 4.265 ( 0.000 -0.000 -2.815) 2.815 4.549 ( -0.000 0.000 1.506) 1.506 4.712 ( 0.000 -0.000 -2.860) 2.860 4.798 ( -0.000 0.000 2.753) 2.753 4.958 ( 0.000 -0.000 -1.647) 1.647 5.395 ( -0.000 0.000 4.942) 4.942 5.782 ( 0.000 -0.000 -4.604) 4.604 6.066 ( -0.000 0.000 7.432) 7.432 6.403 ( 0.000 -0.000 -2.712) 2.712 7.300 ( -0.000 0.000 0.076) 0.076 7.378 ( 0.000 -0.000 -2.151) 2.151 8.321 ( -0.000 0.000 1.331) 1.331 8.405 ( 0.000 -0.000 -1.003) 1.003 9.056 ( -0.000 0.000 1.268) 1.268 9.179 ( 0.000 -0.000 -2.664) 2.664 9.411 ( -0.000 0.000 3.663) 3.663 9.494 ( -0.000 0.000 4.951) 4.951 9.612 ( 0.000 -0.000 -2.409) 2.409 9.893 ( 0.000 -0.000 -6.338) 6.338 10.082 ( -0.000 0.000 3.631) 3.631 10.435 ( 0.000 -0.000 -8.431) 8.431 10.809 ( -0.000 0.000 7.992) 7.992 11.069 ( -0.000 0.000 4.292) 4.292 11.120 ( 0.000 -0.000 -2.893) 2.893 11.311 ( 0.000 -0.000 -2.680) 2.680 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -5.936 -0.085 12.235) 13.599 0.586 ( -3.815 7.083 11.723) 14.218 0.855 ( 3.429 0.264 -1.192) 3.640 0.944 ( -12.660 1.653 5.169) 13.774 1.046 ( -5.222 1.878 -1.900) 5.866 1.218 ( -6.482 3.675 2.504) 7.861 1.293 ( -5.380 -0.317 -1.373) 5.562 1.340 ( -4.598 1.019 1.693) 5.005 1.574 ( 1.822 -0.157 6.814) 7.055 1.622 ( -0.432 0.273 1.944) 2.010 1.646 ( -0.094 -3.112 4.024) 5.088 1.771 ( 1.894 4.462 17.160) 17.831 1.934 ( -9.254 -0.967 -4.517) 10.343 1.979 ( -5.124 -0.761 -10.212) 11.450 2.069 ( -3.092 -0.007 -5.704) 6.488 2.324 ( 0.749 -0.248 2.438) 2.562 2.363 ( 3.163 0.548 5.552) 6.413 2.520 ( 1.229 2.548 2.027) 3.480 2.763 ( 4.123 -5.297 -13.350) 14.942 2.901 ( 4.310 -1.665 1.220) 4.779 2.945 ( 1.998 5.868 -2.950) 6.865 3.008 ( 2.341 -1.866 -10.698) 11.109 3.183 ( 2.806 -4.030 4.122) 6.411 3.366 ( 3.373 8.393 2.983) 9.525 3.479 ( 0.801 -4.117 -3.925) 5.744 3.654 ( -1.909 3.642 -10.741) 11.501 3.942 ( 2.175 0.756 8.577) 8.880 3.983 ( 1.949 0.101 5.717) 6.042 4.201 ( 4.413 -0.419 -2.468) 5.074 4.240 ( 1.848 -2.093 -2.242) 3.580 4.534 ( 3.888 3.378 1.867) 5.478 4.678 ( 2.934 1.938 -3.631) 5.054 4.834 ( -0.879 0.490 0.344) 1.064 4.932 ( 1.329 0.089 -1.918) 2.335 5.417 ( 1.048 -0.061 6.569) 6.653 5.739 ( 1.134 -1.103 -5.474) 5.698 6.091 ( 1.174 -1.537 7.185) 7.441 6.271 ( 7.161 -4.140 2.763) 8.721 7.400 ( -10.942 0.173 0.328) 10.949 7.460 ( -10.621 -0.412 -1.731) 10.769 8.309 ( 1.496 -0.459 1.032) 1.875 8.370 ( 2.734 -0.591 -1.228) 3.055 9.074 ( 0.013 -0.672 0.060) 0.674 9.131 ( 2.783 1.003 -1.495) 3.314 9.404 ( 4.225 2.182 3.206) 5.735 9.553 ( 5.175 0.354 -2.567) 5.787 9.601 ( -7.112 0.070 4.383) 8.355 9.870 ( -1.961 -1.157 -6.173) 6.580 10.171 ( -5.277 -0.173 -0.670) 5.322 10.385 ( 1.250 1.523 -7.877) 8.120 10.805 ( 0.551 -7.373 8.651) 11.380 11.040 ( 2.562 2.236 -0.316) 3.415 11.190 ( -2.963 0.102 0.805) 3.072 11.307 ( -1.641 0.353 -3.267) 3.673 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -6.764 0.762 1.686) 7.012 0.784 ( -3.530 7.521 3.193) 8.901 0.811 ( -1.684 1.838 1.523) 2.921 1.066 ( -4.796 3.950 -6.349) 8.883 1.232 ( -9.483 -2.073 2.741) 10.086 1.341 ( -2.004 1.356 0.168) 2.425 1.408 ( -5.362 2.995 2.414) 6.599 1.413 ( -2.988 -1.105 2.038) 3.782 1.589 ( 4.037 0.939 5.119) 6.587 1.623 ( -5.018 1.706 2.626) 5.915 1.743 ( -5.887 -1.661 6.473) 8.906 1.917 ( -6.326 -4.739 0.752) 7.940 1.967 ( -5.107 -0.505 -1.117) 5.252 2.077 ( -3.581 -2.123 -5.502) 6.899 2.144 ( -8.071 3.475 3.685) 9.529 2.307 ( 2.851 -1.532 1.658) 3.637 2.336 ( 1.612 0.146 3.949) 4.268 2.482 ( 4.882 1.927 -4.296) 6.783 2.642 ( 0.442 0.522 -3.667) 3.730 2.789 ( 6.942 -1.384 3.397) 7.852 2.854 ( 6.371 -2.112 -8.192) 10.590 2.944 ( 1.992 6.979 -3.384) 8.008 3.094 ( 4.552 -4.086 1.042) 6.205 3.376 ( 5.414 6.557 2.441) 8.847 3.404 ( 0.688 -3.357 -2.813) 4.433 3.671 ( -0.793 4.462 -6.905) 8.259 3.950 ( 3.619 -2.264 4.298) 6.058 3.957 ( 3.407 2.107 4.108) 5.738 4.091 ( 6.395 1.455 -0.921) 6.622 4.141 ( 4.129 -4.115 -2.372) 6.294 4.507 ( 3.915 5.105 1.642) 6.640 4.614 ( 3.285 1.658 -3.918) 5.375 4.831 ( 0.640 -0.577 -0.263) 0.901 4.917 ( -0.448 1.223 -1.414) 1.922 5.424 ( 2.444 -0.119 7.696) 8.076 5.666 ( 2.310 -1.791 -5.986) 6.662 6.070 ( 2.869 -2.436 5.148) 6.377 6.149 ( 4.601 -3.844 1.719) 6.237 7.670 ( -18.046 0.591 0.428) 18.060 7.707 ( -17.730 -0.140 -1.395) 17.786 8.277 ( 1.864 -0.499 0.031) 1.930 8.301 ( 3.302 -0.370 -0.775) 3.412 9.037 ( 2.098 -1.728 -0.351) 2.740 9.115 ( 0.397 1.656 0.084) 1.705 9.325 ( 8.449 1.731 2.464) 8.969 9.410 ( 9.884 0.577 -2.092) 10.119 9.754 ( -7.344 -0.029 3.173) 8.000 9.882 ( -3.612 -1.253 -3.814) 5.401 10.221 ( -1.854 -1.455 -1.889) 3.020 10.342 ( 0.993 2.926 -6.324) 7.039 10.770 ( 1.140 -7.162 6.987) 10.071 11.023 ( 1.266 2.326 -0.862) 2.785 11.199 ( 0.725 -2.927 1.787) 3.505 11.348 ( -3.182 2.342 -2.947) 4.929 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -2.937 -0.470 -1.335) 3.260 0.839 ( -5.158 0.709 -2.338) 5.707 1.006 ( -5.307 7.360 7.197) 11.581 1.147 ( -3.667 3.819 -5.269) 7.469 1.323 ( -0.581 -1.959 1.612) 2.603 1.344 ( -0.972 -2.398 0.092) 2.589 1.451 ( -1.887 -1.691 0.563) 2.596 1.539 ( -3.198 3.689 1.247) 5.039 1.597 ( -2.063 2.134 4.853) 5.689 1.735 ( -4.772 -4.187 -0.833) 6.403 1.786 ( -1.445 0.410 -0.966) 1.786 1.987 ( -5.475 0.219 -1.519) 5.686 2.039 ( -0.431 -3.369 -1.674) 3.786 2.111 ( -2.118 -1.600 4.559) 5.276 2.210 ( 3.305 -1.773 1.606) 4.080 2.234 ( 1.804 -1.599 -2.755) 3.661 2.380 ( -5.657 -0.825 2.026) 6.066 2.491 ( -3.749 3.396 -0.890) 5.136 2.606 ( 1.471 -1.615 -3.288) 3.947 2.669 ( 5.234 -0.109 -1.619) 5.480 2.772 ( 1.996 0.727 7.971) 8.249 2.939 ( 2.064 1.758 -7.316) 7.802 3.027 ( 0.470 5.991 1.501) 6.194 3.289 ( 3.453 -4.572 -1.120) 5.838 3.401 ( 3.277 7.325 2.501) 8.405 3.667 ( 1.627 1.765 -3.042) 3.875 3.802 ( 9.275 -3.860 -0.326) 10.052 3.880 ( 7.745 0.930 -3.670) 8.621 4.031 ( 2.814 2.437 2.357) 4.407 4.063 ( 0.965 -1.602 1.824) 2.613 4.502 ( 2.271 4.150 1.547) 4.978 4.560 ( 1.841 1.379 -3.291) 4.015 4.825 ( -1.742 -1.363 -0.608) 2.294 4.946 ( -1.394 1.666 -0.523) 2.234 5.411 ( 3.251 -0.671 6.984) 7.733 5.570 ( 2.828 -1.534 -5.486) 6.360 6.015 ( 3.268 -2.332 2.853) 4.925 6.055 ( 2.969 -2.842 -0.201) 4.115 8.017 ( -18.919 0.844 0.255) 18.939 8.035 ( -18.574 0.431 -1.126) 18.613 8.238 ( 1.161 -0.678 -0.133) 1.351 8.263 ( 0.143 0.124 0.013) 0.190 8.980 ( 2.804 -1.798 -0.207) 3.338 9.130 ( -0.109 1.534 0.425) 1.595 9.164 ( 11.362 0.740 1.236) 11.453 9.198 ( 13.296 0.597 -1.192) 13.363 9.872 ( -4.666 -1.268 0.521) 4.863 9.945 ( -5.020 1.043 0.580) 5.160 10.197 ( 1.126 -2.046 -2.081) 3.128 10.338 ( -0.677 3.104 -4.390) 5.420 10.719 ( 1.731 -6.227 4.803) 8.053 11.018 ( 1.770 3.703 -0.858) 4.193 11.159 ( 0.732 -4.301 1.052) 4.488 11.412 ( -2.856 2.241 -1.440) 3.905 ======================= Grid point 24 (18/125) ======================= q-point: ( 0.67 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -2.827 -1.191 -0.448) 3.100 0.919 ( -4.333 -1.355 -0.535) 4.571 1.110 ( 3.348 -0.541 1.346) 3.649 1.190 ( -1.992 2.245 0.354) 3.022 1.307 ( 0.741 -1.468 0.824) 1.839 1.361 ( -3.862 0.073 -1.643) 4.198 1.475 ( -2.615 -0.293 0.488) 2.676 1.589 ( 0.889 0.422 4.193) 4.307 1.640 ( 0.388 -0.457 -4.020) 4.065 1.801 ( -6.387 -1.956 2.439) 7.111 1.836 ( -3.064 0.071 -3.635) 4.755 1.987 ( 2.942 -1.022 -0.113) 3.117 2.009 ( 1.641 0.897 -1.347) 2.305 2.059 ( 7.166 0.329 3.865) 8.149 2.158 ( -0.390 -1.875 -0.154) 1.921 2.233 ( -2.816 1.236 -1.535) 3.437 2.441 ( 4.692 -0.063 -1.666) 4.979 2.534 ( -6.356 -2.697 1.988) 7.185 2.637 ( -3.568 0.502 0.932) 3.721 2.653 ( -3.137 -1.479 -0.747) 3.548 2.733 ( 5.024 -2.603 2.165) 6.059 2.923 ( -1.800 2.766 -3.285) 4.656 3.141 ( -2.873 9.714 1.282) 10.211 3.190 ( 2.191 -5.377 -0.326) 5.815 3.434 ( 1.885 8.927 1.863) 9.312 3.583 ( 7.438 -5.895 1.866) 9.672 3.609 ( 4.269 -2.960 -1.666) 5.456 3.778 ( 2.262 5.010 -4.918) 7.376 4.011 ( 2.070 1.139 0.421) 2.400 4.082 ( -1.342 0.636 2.595) 2.990 4.500 ( 0.548 -0.546 0.332) 0.842 4.549 ( -0.071 2.780 -0.880) 2.917 4.866 ( -4.167 -1.424 -0.201) 4.408 4.961 ( 0.680 -0.272 -0.324) 0.801 5.352 ( 4.566 -2.922 1.586) 5.648 5.525 ( -0.712 1.446 -1.075) 1.938 5.952 ( 2.083 -2.465 0.456) 3.259 6.007 ( 1.200 -0.011 -0.059) 1.202 8.190 ( -0.073 0.418 -0.165) 0.455 8.205 ( -1.070 1.282 -0.190) 1.681 8.368 ( -13.218 -0.450 -0.000) 13.225 8.395 ( -12.173 0.045 0.166) 12.174 8.862 ( 9.104 -0.568 0.039) 9.121 8.963 ( 10.931 0.891 -0.095) 10.967 9.026 ( 2.341 -1.711 0.022) 2.900 9.142 ( 0.776 1.686 0.087) 1.858 9.917 ( -2.130 -1.247 -0.132) 2.472 10.029 ( 0.408 1.696 0.684) 1.873 10.172 ( -2.919 -1.155 0.288) 3.153 10.361 ( -1.122 3.129 -3.050) 4.511 10.658 ( 2.031 -4.893 2.537) 5.874 11.012 ( 2.794 5.431 -0.690) 6.146 11.122 ( -0.798 -5.021 0.305) 5.093 11.464 ( -1.837 1.119 -0.256) 2.166 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -2.818 -1.173 -0.000) 3.053 0.948 ( -0.003 -1.170 -0.000) 1.170 0.986 ( 4.441 -7.873 -0.000) 9.039 1.232 ( -0.819 1.187 0.000) 1.442 1.286 ( 0.682 -0.902 -0.000) 1.131 1.406 ( 0.083 2.041 0.000) 2.043 1.529 ( 1.249 -0.921 -0.000) 1.552 1.553 ( 5.455 -0.627 -0.000) 5.491 1.604 ( -4.158 -2.701 -0.000) 4.958 1.721 ( 8.915 -4.395 -0.000) 9.940 1.910 ( 1.472 1.366 0.000) 2.008 1.967 ( 5.060 0.032 -0.000) 5.060 1.985 ( -5.951 0.724 0.000) 5.994 2.009 ( -1.268 1.615 0.000) 2.053 2.228 ( -5.882 3.604 0.000) 6.898 2.262 ( 0.043 -0.319 -0.000) 0.321 2.374 ( 2.103 0.493 0.000) 2.160 2.575 ( -0.791 -4.676 -0.000) 4.742 2.630 ( 8.128 3.014 0.000) 8.668 2.642 ( 2.303 -4.564 -0.000) 5.112 2.698 ( -5.359 0.049 0.000) 5.359 2.942 ( -1.029 -2.105 -0.000) 2.343 3.134 ( 0.014 -2.593 -0.000) 2.593 3.283 ( -3.869 7.632 0.000) 8.557 3.414 ( 4.333 -6.271 -0.000) 7.623 3.505 ( -0.499 9.113 0.000) 9.127 3.635 ( -9.307 -1.244 0.000) 9.389 3.808 ( -1.523 5.068 0.000) 5.292 3.987 ( 1.587 1.066 0.000) 1.912 4.129 ( -2.551 -0.470 -0.000) 2.594 4.484 ( -1.039 -4.121 -0.000) 4.250 4.585 ( -1.622 1.897 0.000) 2.496 4.916 ( 2.254 -2.405 -0.000) 3.296 4.931 ( -3.649 -1.005 -0.000) 3.785 5.252 ( 2.835 -3.488 -0.000) 4.495 5.590 ( -3.781 3.116 0.000) 4.899 5.919 ( -0.166 -1.336 -0.000) 1.347 6.003 ( 0.226 1.675 0.000) 1.690 8.200 ( -1.238 0.450 0.000) 1.317 8.220 ( 0.650 1.416 0.000) 1.558 8.373 ( 12.863 0.035 -0.000) 12.863 8.379 ( 13.638 -0.694 -0.000) 13.656 8.859 ( -9.232 -0.288 0.000) 9.237 8.971 ( -11.361 0.349 0.000) 11.367 9.027 ( -3.699 -1.668 -0.000) 4.058 9.131 ( 1.776 1.353 0.000) 2.233 9.934 ( -0.660 -0.085 0.000) 0.666 9.964 ( 5.669 -0.430 -0.000) 5.685 10.272 ( -5.223 2.247 0.000) 5.686 10.399 ( -0.935 3.786 0.000) 3.899 10.596 ( 1.314 -4.063 -0.000) 4.271 11.007 ( 3.133 6.428 0.000) 7.151 11.106 ( -1.914 -4.828 -0.000) 5.194 11.487 ( -0.377 -0.516 -0.000) 0.639 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -0.000 0.000 14.402) 14.402 0.652 ( -0.000 0.000 15.682) 15.682 0.831 ( -0.000 0.000 11.611) 11.611 0.911 ( -0.000 0.000 1.515) 1.515 0.966 ( 0.000 -0.000 -5.689) 5.689 1.124 ( 0.000 -0.000 -2.374) 2.374 1.230 ( -0.000 0.000 0.025) 0.025 1.285 ( -0.000 0.000 1.743) 1.743 1.620 ( -0.000 0.000 2.899) 2.899 1.636 ( -0.000 0.000 8.299) 8.299 1.695 ( 0.000 -0.000 -1.601) 1.601 1.798 ( 0.000 -0.000 -0.903) 0.903 1.865 ( 0.000 -0.000 -9.322) 9.322 1.919 ( -0.000 0.000 21.296) 21.296 1.998 ( 0.000 -0.000 -7.874) 7.874 2.346 ( -0.000 0.000 2.762) 2.762 2.406 ( -0.000 0.000 1.476) 1.476 2.543 ( -0.000 0.000 6.734) 6.734 2.737 ( 0.000 -0.000 -21.715) 21.715 2.897 ( 0.000 -0.000 -8.001) 8.001 2.953 ( -0.000 0.000 1.315) 1.315 2.990 ( 0.000 -0.000 -4.462) 4.462 3.267 ( -0.000 0.000 6.571) 6.571 3.372 ( -0.000 0.000 3.625) 3.625 3.492 ( 0.000 -0.000 -3.292) 3.292 3.543 ( 0.000 -0.000 -11.752) 11.752 4.013 ( -0.000 0.000 8.639) 8.639 4.037 ( -0.000 0.000 6.026) 6.026 4.227 ( 0.000 -0.000 -4.360) 4.360 4.242 ( 0.000 -0.000 -3.949) 3.949 4.570 ( -0.000 0.000 2.408) 2.408 4.677 ( 0.000 -0.000 -3.566) 3.566 4.832 ( -0.000 0.000 3.404) 3.404 4.936 ( 0.000 -0.000 -2.473) 2.473 5.463 ( -0.000 0.000 7.616) 7.616 5.721 ( 0.000 -0.000 -6.595) 6.595 6.151 ( -0.000 0.000 8.179) 8.179 6.365 ( 0.000 -0.000 -4.347) 4.347 7.303 ( -0.000 0.000 0.530) 0.530 7.353 ( 0.000 -0.000 -2.363) 2.363 8.338 ( -0.000 0.000 1.677) 1.677 8.392 ( 0.000 -0.000 -1.400) 1.400 9.073 ( -0.000 0.000 1.812) 1.812 9.150 ( 0.000 -0.000 -2.769) 2.769 9.454 ( -0.000 0.000 4.138) 4.138 9.557 ( -0.000 0.000 6.826) 6.826 9.581 ( 0.000 -0.000 -3.296) 3.296 9.816 ( 0.000 -0.000 -7.961) 7.961 10.129 ( -0.000 0.000 5.129) 5.129 10.346 ( 0.000 -0.000 -8.013) 8.013 10.891 ( -0.000 0.000 7.363) 7.363 11.082 ( 0.000 -0.000 -4.226) 4.226 11.120 ( -0.000 0.000 5.161) 5.161 11.276 ( 0.000 -0.000 -3.830) 3.830 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -1.325 -0.719 11.195) 11.297 0.702 ( -0.673 6.141 9.165) 11.053 0.834 ( 4.592 -0.470 -2.665) 5.330 0.925 ( -2.957 3.340 -5.770) 7.293 1.075 ( -10.905 -0.820 4.872) 11.972 1.207 ( -7.980 1.983 -3.812) 9.064 1.310 ( -5.743 1.717 3.725) 7.057 1.355 ( -4.543 1.341 0.603) 4.776 1.620 ( 2.516 -0.928 2.311) 3.540 1.641 ( 0.726 0.300 1.416) 1.619 1.705 ( -3.464 -0.995 6.787) 7.684 1.860 ( -4.403 -1.228 -8.852) 9.963 1.894 ( -6.240 -2.090 0.260) 6.586 1.957 ( -2.856 1.270 0.619) 3.187 2.063 ( -2.335 0.510 14.978) 15.167 2.352 ( 1.045 0.024 2.626) 2.827 2.393 ( 1.701 0.020 0.069) 1.703 2.543 ( 4.665 -1.046 -10.972) 11.968 2.610 ( -0.264 1.313 -1.067) 1.712 2.856 ( 1.189 3.254 -12.582) 13.050 2.917 ( 4.066 -1.212 1.639) 4.548 2.948 ( 2.894 0.208 -1.518) 3.275 3.234 ( 3.758 -5.965 5.164) 8.739 3.400 ( 3.271 7.406 2.157) 8.379 3.429 ( 0.081 -4.431 -4.141) 6.065 3.558 ( -0.838 8.086 -6.790) 10.592 4.035 ( 2.256 -0.037 8.554) 8.847 4.048 ( 2.343 -0.519 6.136) 6.589 4.165 ( 3.721 -0.167 -4.159) 5.583 4.196 ( 1.865 -1.471 -5.742) 6.214 4.559 ( 3.539 2.265 2.768) 5.031 4.636 ( 2.937 1.610 -4.063) 5.266 4.849 ( 0.430 0.085 2.189) 2.233 4.908 ( 1.140 0.338 -2.463) 2.734 5.498 ( 0.877 -0.367 8.222) 8.277 5.671 ( 1.013 -0.933 -7.194) 7.324 6.168 ( 1.999 -2.038 6.851) 7.422 6.273 ( 4.805 -3.291 -2.046) 6.173 7.407 ( -11.009 -0.004 0.905) 11.046 7.439 ( -10.889 -0.235 -1.935) 11.062 8.322 ( 2.087 -0.531 1.414) 2.577 8.355 ( 2.656 -0.501 -1.473) 3.078 9.079 ( 1.004 -0.526 0.665) 1.314 9.115 ( 1.668 1.224 -1.365) 2.478 9.442 ( 4.352 1.175 3.800) 5.895 9.521 ( 4.850 0.491 -3.293) 5.883 9.656 ( -5.904 -0.210 5.824) 8.296 9.798 ( -3.198 -0.882 -6.969) 7.719 10.187 ( -2.220 0.425 3.215) 3.931 10.305 ( 0.604 1.432 -6.953) 7.124 10.889 ( 1.392 -6.057 6.852) 9.251 11.026 ( 1.769 1.065 -2.374) 3.147 11.204 ( -2.760 0.678 1.985) 3.467 11.270 ( -1.721 0.434 -3.424) 3.857 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -2.387 0.816 3.678) 4.460 0.752 ( -0.455 1.745 -4.237) 4.604 0.893 ( -5.525 5.763 8.507) 11.666 0.990 ( -4.573 5.019 -7.599) 10.191 1.255 ( -8.840 -2.583 1.211) 9.289 1.340 ( -3.833 1.223 -0.096) 4.025 1.427 ( -3.424 1.105 0.881) 3.704 1.428 ( -3.404 0.994 0.812) 3.638 1.620 ( 1.238 0.147 1.270) 1.779 1.659 ( -4.021 2.546 2.851) 5.548 1.799 ( -1.551 -2.776 2.320) 3.936 1.872 ( -5.521 -2.726 -2.407) 6.611 1.990 ( -6.736 -4.228 0.593) 7.975 2.021 ( -6.880 -3.653 -3.609) 8.585 2.236 ( -4.181 2.615 12.014) 12.987 2.318 ( 4.023 -1.592 -0.007) 4.327 2.362 ( 0.155 -0.219 -0.420) 0.498 2.404 ( 0.931 0.924 -8.633) 8.732 2.632 ( 2.529 0.773 1.470) 3.025 2.766 ( 5.740 2.936 -5.116) 8.230 2.843 ( 4.332 0.913 4.044) 5.997 2.901 ( 2.240 4.937 -4.109) 6.802 3.111 ( 5.459 -6.223 1.466) 8.407 3.363 ( 0.638 -5.159 -2.158) 5.629 3.414 ( 5.160 9.931 2.102) 11.387 3.605 ( -0.024 7.656 -4.035) 8.654 3.981 ( 6.724 -3.056 1.883) 7.622 4.014 ( 5.212 -1.257 4.441) 6.962 4.082 ( 3.909 1.911 -0.364) 4.366 4.106 ( 2.498 -1.388 -3.567) 4.570 4.532 ( 3.524 3.402 2.916) 5.701 4.571 ( 3.334 2.211 -3.918) 5.599 4.832 ( 0.941 -1.562 0.248) 1.840 4.904 ( -0.687 2.040 -0.752) 2.280 5.509 ( 2.288 -0.900 7.915) 8.288 5.594 ( 2.155 -1.250 -7.204) 7.623 6.120 ( 3.730 -3.201 3.815) 6.222 6.150 ( 4.479 -3.715 -1.347) 5.973 7.677 ( -18.013 0.144 0.738) 18.029 7.693 ( -17.850 0.292 -1.145) 17.889 8.279 ( 2.566 -0.617 0.156) 2.644 8.294 ( 2.761 -0.077 -0.430) 2.796 9.035 ( 2.199 -1.740 -0.108) 2.806 9.115 ( 0.145 2.042 -0.012) 2.048 9.352 ( 8.833 0.814 2.487) 9.212 9.386 ( 9.375 0.998 -2.315) 9.708 9.791 ( -6.173 -0.724 3.486) 7.126 9.840 ( -5.511 -0.507 -3.753) 6.687 10.216 ( 0.267 -0.710 0.393) 0.854 10.288 ( -0.181 2.723 -3.165) 4.179 10.827 ( 1.672 -7.391 3.126) 8.197 11.012 ( 1.043 2.634 -0.866) 2.962 11.212 ( 0.771 -2.929 0.692) 3.107 11.324 ( -3.616 2.490 -1.285) 4.574 ======================= Grid point 33 (23/125) ======================= q-point: (-0.33 -0.67 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -2.507 -0.452 -0.000) 2.548 0.825 ( -5.877 0.651 0.000) 5.913 1.080 ( -3.685 6.124 0.000) 7.147 1.084 ( -5.665 5.083 0.000) 7.611 1.334 ( -1.949 -3.260 -0.000) 3.798 1.343 ( 1.035 -1.786 -0.000) 2.064 1.454 ( -1.794 -1.783 -0.000) 2.530 1.546 ( -4.237 4.244 0.000) 5.997 1.631 ( -1.254 0.369 0.000) 1.307 1.735 ( -1.789 -7.056 -0.000) 7.280 1.765 ( -2.757 3.205 0.000) 4.228 1.989 ( -4.528 1.318 0.000) 4.716 2.022 ( -2.266 -4.181 -0.000) 4.756 2.137 ( -3.435 -0.453 0.000) 3.465 2.217 ( 4.964 -1.708 -0.000) 5.250 2.224 ( 1.769 -3.736 -0.000) 4.134 2.395 ( -5.044 -0.991 -0.000) 5.141 2.485 ( -2.220 3.749 0.000) 4.357 2.574 ( -1.856 -3.436 -0.000) 3.905 2.670 ( 5.414 1.512 0.000) 5.621 2.842 ( -0.489 4.201 0.000) 4.229 2.874 ( 4.962 -1.491 -0.000) 5.181 3.035 ( -0.030 5.891 0.000) 5.891 3.282 ( 2.820 -5.183 -0.000) 5.900 3.419 ( 4.183 9.566 0.000) 10.441 3.641 ( 0.788 4.238 0.000) 4.311 3.803 ( 9.320 -4.981 -0.000) 10.568 3.863 ( 9.599 -0.889 -0.000) 9.640 4.044 ( 2.676 1.434 0.000) 3.035 4.074 ( 0.553 0.765 0.000) 0.944 4.522 ( 2.116 1.442 0.000) 2.561 4.530 ( 1.646 3.708 0.000) 4.057 4.822 ( -1.924 -2.013 -0.000) 2.784 4.943 ( -1.366 1.986 0.000) 2.410 5.465 ( 4.240 -2.578 -0.000) 4.962 5.524 ( 1.763 0.163 -0.000) 1.770 6.036 ( 3.978 -3.532 -0.000) 5.320 6.049 ( 2.762 -2.012 -0.000) 3.417 8.021 ( -19.151 0.362 0.000) 19.155 8.027 ( -18.078 1.019 0.000) 18.107 8.237 ( 0.931 -0.642 -0.000) 1.131 8.263 ( 0.055 0.209 0.000) 0.217 8.979 ( 2.688 -1.885 -0.000) 3.284 9.133 ( -0.006 1.893 0.000) 1.893 9.174 ( 11.445 -0.330 -0.000) 11.450 9.188 ( 13.222 1.366 -0.000) 13.292 9.875 ( -4.047 -1.728 -0.000) 4.401 9.949 ( -6.173 1.560 0.000) 6.368 10.186 ( 1.445 -1.687 -0.000) 2.221 10.313 ( -0.634 2.947 0.000) 3.015 10.747 ( 1.676 -6.590 -0.000) 6.800 11.013 ( 2.056 4.305 0.000) 4.771 11.164 ( 0.708 -4.597 -0.000) 4.651 11.403 ( -3.112 2.319 0.000) 3.880 ======================= Grid point 41 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -0.000 0.000 10.993) 10.993 0.749 ( 0.000 -0.000 -0.392) 0.392 0.907 ( -0.000 0.000 3.498) 3.498 0.922 ( -0.000 0.000 0.241) 0.241 0.952 ( -0.000 0.000 5.602) 5.602 1.050 ( 0.000 -0.000 -9.799) 9.799 1.260 ( -0.000 0.000 3.812) 3.812 1.289 ( 0.000 -0.000 -1.166) 1.166 1.650 ( -0.000 0.000 2.619) 2.619 1.675 ( 0.000 -0.000 -2.121) 2.121 1.710 ( -0.000 0.000 5.514) 5.514 1.774 ( 0.000 -0.000 -7.197) 7.197 1.824 ( -0.000 0.000 6.033) 6.033 1.908 ( 0.000 -0.000 -8.623) 8.623 2.182 ( -0.000 0.000 26.926) 26.926 2.375 ( -0.000 0.000 2.634) 2.634 2.400 ( 0.000 -0.000 -1.878) 1.878 2.474 ( 0.000 -0.000 -26.689) 26.689 2.645 ( -0.000 0.000 11.532) 11.532 2.777 ( 0.000 -0.000 -12.619) 12.619 2.965 ( -0.000 0.000 0.869) 0.869 2.972 ( 0.000 -0.000 -0.594) 0.594 3.344 ( -0.000 0.000 7.704) 7.704 3.413 ( -0.000 0.000 3.925) 3.925 3.433 ( 0.000 -0.000 -9.113) 9.113 3.454 ( 0.000 -0.000 -3.749) 3.749 4.099 ( -0.000 0.000 7.489) 7.489 4.108 ( -0.000 0.000 7.051) 7.051 4.172 ( 0.000 -0.000 -5.967) 5.967 4.183 ( 0.000 -0.000 -6.650) 6.650 4.600 ( -0.000 0.000 3.205) 3.205 4.637 ( 0.000 -0.000 -3.655) 3.655 4.869 ( -0.000 0.000 3.503) 3.503 4.905 ( 0.000 -0.000 -3.145) 3.145 5.552 ( -0.000 0.000 8.606) 8.606 5.642 ( 0.000 -0.000 -8.074) 8.074 6.236 ( -0.000 0.000 7.508) 7.508 6.309 ( 0.000 -0.000 -6.059) 6.059 7.312 ( -0.000 0.000 1.241) 1.241 7.330 ( 0.000 -0.000 -1.967) 1.967 8.356 ( -0.000 0.000 1.779) 1.779 8.375 ( 0.000 -0.000 -1.672) 1.672 9.095 ( -0.000 0.000 2.260) 2.260 9.121 ( 0.000 -0.000 -2.593) 2.593 9.498 ( -0.000 0.000 4.185) 4.185 9.542 ( 0.000 -0.000 -3.896) 3.896 9.638 ( -0.000 0.000 8.053) 8.053 9.727 ( 0.000 -0.000 -8.481) 8.481 10.191 ( -0.000 0.000 6.358) 6.358 10.264 ( 0.000 -0.000 -7.317) 7.317 10.966 ( -0.000 0.000 6.493) 6.493 11.030 ( 0.000 -0.000 -5.436) 5.436 11.177 ( -0.000 0.000 5.232) 5.232 11.230 ( 0.000 -0.000 -4.726) 4.726 ======================= Grid point 42 (25/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 1.251 0.652 0.000) 1.411 0.757 ( 2.730 4.029 0.000) 4.866 0.811 ( -1.282 -1.857 -0.000) 2.256 0.878 ( 1.330 5.383 0.000) 5.545 1.112 ( -10.059 -3.467 -0.000) 10.640 1.174 ( -9.950 3.722 0.000) 10.623 1.340 ( -5.090 1.201 0.000) 5.230 1.352 ( -4.923 2.158 0.000) 5.375 1.633 ( 1.084 -1.317 -0.000) 1.706 1.649 ( 1.593 0.492 0.000) 1.667 1.777 ( -4.008 -0.488 0.000) 4.038 1.777 ( -3.722 -0.499 0.000) 3.755 1.908 ( -5.370 -1.878 -0.000) 5.689 1.919 ( -5.863 -1.160 -0.000) 5.977 2.278 ( 1.816 -3.849 -0.000) 4.255 2.339 ( 0.310 2.198 0.000) 2.220 2.376 ( 1.416 -0.219 -0.000) 1.433 2.382 ( 0.909 0.374 0.000) 0.983 2.696 ( 2.284 0.701 0.000) 2.389 2.736 ( 0.414 5.833 0.000) 5.848 2.933 ( 3.525 -0.492 -0.000) 3.559 2.935 ( 3.350 -0.362 -0.000) 3.370 3.272 ( 4.739 -7.663 -0.000) 9.009 3.381 ( -1.138 -3.482 -0.000) 3.663 3.433 ( 4.026 7.533 0.000) 8.541 3.517 ( -0.797 8.824 0.000) 8.860 4.103 ( 3.609 -1.489 -0.000) 3.904 4.117 ( 2.706 0.103 -0.000) 2.708 4.123 ( 2.065 -0.411 -0.000) 2.106 4.126 ( 1.612 -0.230 -0.000) 1.628 4.590 ( 3.282 1.280 0.000) 3.522 4.597 ( 3.093 1.953 0.000) 3.658 4.870 ( 1.494 -0.774 -0.000) 1.682 4.886 ( 0.450 1.171 0.000) 1.254 5.586 ( 1.001 -0.883 -0.000) 1.335 5.589 ( 0.797 -0.480 -0.000) 0.930 6.231 ( 3.230 -2.828 -0.000) 4.293 6.235 ( 3.018 -2.361 -0.000) 3.832 7.418 ( -10.945 -0.341 0.000) 10.950 7.422 ( -11.076 0.118 0.000) 11.077 8.336 ( 2.568 -0.818 -0.000) 2.696 8.341 ( 2.360 -0.202 -0.000) 2.368 9.084 ( 1.970 -0.814 -0.000) 2.131 9.106 ( 0.678 1.587 0.000) 1.725 9.480 ( 4.665 0.302 -0.000) 4.675 9.486 ( 4.477 1.114 0.000) 4.614 9.723 ( -4.409 -0.722 0.000) 4.468 9.725 ( -4.682 -0.374 0.000) 4.697 10.227 ( 0.025 -0.082 -0.000) 0.086 10.245 ( -0.853 2.053 0.000) 2.223 10.935 ( 2.566 -6.361 -0.000) 6.859 11.003 ( 0.255 1.301 0.000) 1.326 11.226 ( -1.092 -0.256 -0.000) 1.122 11.241 ( -2.980 1.638 0.000) 3.400 ======================= Grid point 86 (26/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( -0.000 14.041 0.000) 14.041 0.296 ( -0.000 16.432 0.000) 16.432 0.523 ( -0.000 29.788 0.000) 29.788 0.874 ( 0.000 -0.124 -0.000) 0.124 1.106 ( -0.000 3.369 0.000) 3.369 1.183 ( -0.000 2.954 0.000) 2.954 1.201 ( -0.000 4.113 0.000) 4.113 1.385 ( -0.000 1.952 0.000) 1.952 1.450 ( -0.000 0.961 0.000) 0.961 1.551 ( 0.000 -0.021 -0.000) 0.021 1.618 ( -0.000 3.442 0.000) 3.442 1.709 ( 0.000 -1.387 -0.000) 1.387 1.900 ( -0.000 2.168 0.000) 2.168 2.071 ( 0.000 -0.596 -0.000) 0.596 2.162 ( -0.000 2.724 0.000) 2.724 2.265 ( 0.000 -1.624 -0.000) 1.624 2.330 ( -0.000 0.952 0.000) 0.952 2.510 ( 0.000 -0.806 -0.000) 0.806 2.854 ( 0.000 -6.767 -0.000) 6.767 2.960 ( 0.000 -1.160 -0.000) 1.160 3.110 ( -0.000 4.320 0.000) 4.320 3.143 ( 0.000 -0.666 -0.000) 0.666 3.213 ( 0.000 -1.091 -0.000) 1.091 3.548 ( 0.000 -2.221 -0.000) 2.221 3.609 ( -0.000 1.985 0.000) 1.985 3.628 ( 0.000 -12.574 -0.000) 12.574 3.743 ( -0.000 1.221 0.000) 1.221 4.109 ( 0.000 -4.462 -0.000) 4.462 4.109 ( -0.000 11.382 0.000) 11.382 4.302 ( -0.000 0.965 0.000) 0.965 4.589 ( -0.000 5.760 0.000) 5.760 4.784 ( -0.000 1.998 0.000) 1.998 4.964 ( -0.000 0.016 0.000) 0.016 4.972 ( 0.000 -0.395 -0.000) 0.395 5.351 ( -0.000 0.256 0.000) 0.256 5.815 ( 0.000 -1.985 -0.000) 1.985 5.957 ( 0.000 -1.899 -0.000) 1.899 6.033 ( 0.000 -1.908 -0.000) 1.908 7.293 ( 0.000 -0.840 -0.000) 0.840 7.371 ( 0.000 -1.061 -0.000) 1.061 8.300 ( 0.000 -0.635 -0.000) 0.635 8.402 ( 0.000 -1.546 -0.000) 1.546 9.052 ( -0.000 1.096 0.000) 1.096 9.213 ( 0.000 -0.251 -0.000) 0.251 9.445 ( -0.000 0.786 0.000) 0.786 9.598 ( -0.000 0.485 0.000) 0.485 9.643 ( -0.000 0.533 0.000) 0.533 9.941 ( 0.000 -2.958 -0.000) 2.958 10.054 ( -0.000 1.426 0.000) 1.426 10.324 ( 0.000 -1.461 -0.000) 1.461 10.620 ( -0.000 2.938 0.000) 2.938 11.126 ( -0.000 1.294 0.000) 1.294 11.158 ( -0.000 0.832 0.000) 0.832 11.311 ( 0.000 -3.374 -0.000) 3.374 ======================= Grid point 87 (27/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -11.243 9.334 -2.300) 14.793 0.563 ( -12.813 11.015 3.543) 17.264 0.828 ( -4.068 4.785 2.363) 6.710 0.939 ( -9.488 11.805 1.473) 15.217 1.169 ( -1.612 2.689 -0.497) 3.174 1.227 ( -4.065 1.465 -0.092) 4.322 1.265 ( -2.734 5.449 2.716) 6.674 1.397 ( 1.894 3.028 1.480) 3.866 1.436 ( 1.714 1.905 0.062) 2.564 1.589 ( -3.570 0.685 0.138) 3.638 1.639 ( 0.464 5.805 -1.668) 6.058 1.688 ( -0.140 4.164 4.022) 5.791 2.003 ( -8.482 -1.202 -2.362) 8.886 2.120 ( -4.216 -4.978 -5.429) 8.487 2.198 ( -0.585 2.879 -2.868) 4.106 2.237 ( 0.966 -1.705 3.322) 3.857 2.284 ( 5.498 2.888 3.106) 6.944 2.514 ( -0.478 -0.044 1.492) 1.568 2.760 ( 3.250 -8.246 -0.934) 8.913 2.877 ( 6.658 -0.832 -1.097) 6.799 3.098 ( 3.188 0.677 -1.525) 3.599 3.133 ( 2.459 2.483 -2.625) 4.370 3.157 ( 2.815 -0.475 -0.801) 2.965 3.476 ( 1.897 -5.392 -4.941) 7.556 3.509 ( 6.893 6.660 -0.018) 9.585 3.593 ( -0.587 -8.519 5.273) 10.037 3.795 ( -1.960 0.285 4.502) 4.918 4.044 ( 1.690 -4.670 -1.674) 5.241 4.198 ( 0.767 8.136 -0.730) 8.205 4.267 ( 5.152 1.822 -0.546) 5.492 4.608 ( 3.696 7.045 0.662) 7.983 4.766 ( 3.902 3.167 -0.312) 5.035 4.917 ( 2.443 0.426 -2.682) 3.653 4.953 ( 1.177 -0.333 -0.229) 1.245 5.345 ( 1.561 0.908 1.013) 2.070 5.779 ( 1.227 -2.994 -1.517) 3.573 5.953 ( -0.639 -2.287 1.540) 2.830 6.029 ( 0.421 -3.472 4.874) 5.999 7.406 ( -12.083 -0.346 -0.215) 12.089 7.462 ( -11.042 -1.262 -0.130) 11.115 8.290 ( 0.493 -0.774 -0.026) 0.918 8.365 ( 2.370 -1.832 -0.208) 3.003 9.066 ( 0.434 -0.077 0.002) 0.441 9.151 ( 4.296 -0.158 0.095) 4.300 9.474 ( 8.394 5.235 -1.004) 9.944 9.553 ( -8.225 0.877 0.956) 8.327 9.595 ( 5.735 0.590 -0.521) 5.788 9.914 ( -0.841 -3.649 -1.416) 4.003 10.239 ( -9.706 -6.016 -7.763) 13.808 10.362 ( -3.874 -5.821 10.583) 12.685 10.627 ( 1.387 3.759 -3.416) 5.265 11.051 ( 5.243 -0.213 1.688) 5.512 11.161 ( 0.662 1.338 0.326) 1.528 11.368 ( -5.519 -1.765 -1.304) 5.939 ======================= Grid point 88 (28/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -8.243 2.483 -3.780) 9.402 0.825 ( -3.404 6.949 1.868) 7.960 0.899 ( -5.476 4.935 1.372) 7.498 1.203 ( -5.471 3.054 -1.134) 6.367 1.214 ( -5.178 2.436 -1.772) 5.990 1.329 ( -5.832 1.431 1.103) 6.105 1.358 ( 3.865 1.865 0.227) 4.298 1.418 ( -4.505 3.749 6.222) 8.547 1.480 ( -2.986 5.115 1.559) 6.125 1.631 ( -1.243 1.299 1.586) 2.398 1.715 ( -4.817 4.550 -3.312) 7.408 1.854 ( -8.405 4.919 2.573) 10.073 2.054 ( 1.570 -2.260 -2.777) 3.909 2.109 ( 0.912 -3.406 -1.722) 3.924 2.168 ( -6.155 -0.907 -1.072) 6.313 2.263 ( 2.215 2.093 1.347) 3.332 2.278 ( -2.633 -0.720 -0.155) 2.734 2.544 ( -0.542 2.186 1.583) 2.753 2.613 ( 5.788 -5.645 2.005) 8.330 2.729 ( 8.107 0.882 -0.242) 8.158 2.971 ( 6.933 -2.537 -7.334) 10.406 3.063 ( 3.861 0.047 0.950) 3.977 3.154 ( 1.439 4.896 -1.122) 5.225 3.357 ( 2.347 -7.258 -5.116) 9.184 3.455 ( 5.768 6.418 1.428) 8.746 3.574 ( 0.485 -6.110 8.448) 10.437 3.839 ( -0.765 -1.435 2.079) 2.640 3.953 ( 3.168 -6.629 2.573) 7.784 4.148 ( 9.343 3.523 -0.734) 10.012 4.205 ( 3.368 5.730 -5.804) 8.824 4.597 ( 4.385 6.289 0.798) 7.708 4.703 ( 5.002 2.344 -1.319) 5.679 4.878 ( 0.908 0.969 -2.169) 2.543 4.944 ( -0.511 0.377 0.052) 0.637 5.324 ( 3.093 2.187 2.586) 4.587 5.706 ( 2.558 -3.740 -2.225) 5.048 5.949 ( 0.146 -1.980 1.916) 2.759 6.010 ( 0.436 -3.764 2.625) 4.610 7.682 ( -18.420 0.415 -0.207) 18.426 7.717 ( -18.120 -0.833 -0.320) 18.142 8.270 ( 0.953 -0.844 -0.189) 1.287 8.296 ( 3.300 -1.374 -0.112) 3.576 9.034 ( 2.492 -0.183 -0.705) 2.596 9.104 ( 1.078 -0.265 1.296) 1.706 9.354 ( 9.760 3.537 -0.165) 10.382 9.447 ( 10.867 0.336 -0.615) 10.889 9.717 ( -8.321 0.837 0.955) 8.417 9.903 ( -1.949 -2.799 -1.305) 3.652 10.262 ( -2.915 -3.719 -5.634) 7.353 10.421 ( -2.747 -5.961 7.368) 9.867 10.599 ( 2.178 3.081 -5.090) 6.336 10.991 ( 2.238 -2.209 4.157) 5.212 11.164 ( 0.914 2.661 -0.343) 2.835 11.431 ( -3.544 -0.463 -1.908) 4.052 ======================= Grid point 89 (29/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -2.263 0.156 -4.085) 4.672 0.892 ( -2.843 0.433 -1.230) 3.128 1.066 ( -2.040 9.614 3.422) 10.407 1.231 ( 0.616 0.932 -0.894) 1.431 1.312 ( 2.516 1.151 0.144) 2.770 1.337 ( -6.082 -0.846 -1.408) 6.300 1.435 ( -3.876 2.568 -1.642) 4.931 1.508 ( -1.124 1.462 2.530) 3.131 1.621 ( -6.810 3.866 -0.326) 7.837 1.696 ( -2.275 -1.483 2.819) 3.914 1.787 ( -4.131 1.273 -3.778) 5.741 1.981 ( -0.986 1.541 1.772) 2.547 2.033 ( 0.903 -0.744 0.565) 1.300 2.080 ( -1.737 1.031 4.226) 4.683 2.165 ( 4.906 -1.558 -6.949) 8.647 2.296 ( -2.356 -2.506 -3.061) 4.604 2.330 ( -7.484 -1.300 0.923) 7.652 2.504 ( 1.217 -3.064 6.015) 6.859 2.595 ( 0.876 4.539 1.261) 4.792 2.676 ( 0.426 4.339 0.673) 4.412 2.771 ( 7.932 -2.198 -7.441) 11.096 3.010 ( 2.264 -0.571 1.801) 2.949 3.173 ( 0.388 4.237 0.099) 4.256 3.221 ( 2.943 -6.794 -4.629) 8.732 3.436 ( 2.608 4.063 2.601) 5.484 3.544 ( 3.348 -2.914 6.152) 7.585 3.785 ( 6.173 -2.603 -1.228) 6.811 3.865 ( 2.390 -6.080 7.092) 9.643 4.037 ( 5.539 3.605 1.284) 6.733 4.132 ( 4.506 3.492 -7.758) 9.627 4.561 ( 4.085 2.514 -0.585) 4.832 4.631 ( 3.952 1.765 -0.699) 4.385 4.881 ( -1.153 1.930 -2.859) 3.637 4.965 ( -0.674 0.457 0.214) 0.843 5.311 ( 2.439 3.149 3.224) 5.125 5.608 ( 3.233 -3.598 -2.179) 5.306 5.935 ( 0.588 -1.594 1.014) 1.979 5.988 ( -0.184 -2.690 1.213) 2.956 8.031 ( -19.499 0.486 -0.047) 19.505 8.054 ( -19.576 -0.254 -0.390) 19.581 8.229 ( 2.181 -0.799 -0.184) 2.330 8.253 ( 0.268 -0.740 0.400) 0.883 8.979 ( 3.280 0.289 -0.878) 3.408 9.106 ( 0.383 -0.628 1.490) 1.661 9.183 ( 10.780 1.647 -0.139) 10.906 9.219 ( 14.367 0.138 -0.206) 14.369 9.856 ( -6.030 -0.068 -0.266) 6.036 9.930 ( -3.155 -0.189 1.193) 3.379 10.229 ( 0.376 -2.826 -4.572) 5.388 10.446 ( -1.068 -4.149 5.976) 7.353 10.562 ( 0.731 2.074 -5.738) 6.145 10.970 ( 0.362 -3.244 4.827) 5.827 11.170 ( 1.235 4.390 -1.441) 4.783 11.464 ( -1.833 -0.739 -1.493) 2.477 ======================= Grid point 90 (30/125) ======================= q-point: ( 0.56 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -0.440 0.500 -2.654) 2.736 0.925 ( -2.199 -1.465 -2.085) 3.366 1.108 ( 5.380 1.014 -1.605) 5.705 1.216 ( 0.198 3.832 0.417) 3.860 1.295 ( 0.412 0.389 -0.524) 0.772 1.398 ( -1.704 -0.237 0.976) 1.978 1.482 ( -0.400 0.850 -0.980) 1.357 1.543 ( -1.273 1.315 -0.882) 2.032 1.672 ( 0.641 -2.474 -1.542) 2.985 1.748 ( -5.639 -2.266 -1.889) 6.364 1.904 ( -3.379 1.451 -0.398) 3.699 1.965 ( 0.383 -1.043 0.395) 1.179 2.009 ( 0.423 -3.235 4.438) 5.508 2.035 ( 5.390 6.323 3.562) 9.039 2.160 ( -1.474 3.171 -5.641) 6.637 2.282 ( 0.707 -0.345 -0.822) 1.138 2.426 ( -3.326 -0.229 5.326) 6.283 2.557 ( -4.705 -3.446 0.662) 5.870 2.565 ( 5.994 0.848 -5.207) 7.985 2.649 ( -1.626 -0.837 -2.987) 3.502 2.734 ( -1.201 3.335 -0.528) 3.584 2.994 ( 0.688 -0.816 0.341) 1.120 3.080 ( 3.045 -6.854 0.382) 7.509 3.224 ( -0.053 1.970 3.084) 3.660 3.420 ( 3.865 -0.782 2.556) 4.700 3.524 ( -1.330 4.613 0.635) 4.843 3.633 ( 5.387 -0.092 -2.294) 5.856 3.859 ( -0.612 -3.784 10.608) 11.279 4.004 ( 1.904 0.760 -0.454) 2.100 4.051 ( 2.778 2.459 -4.391) 5.748 4.492 ( 2.919 -1.854 -1.695) 3.851 4.596 ( 2.106 2.041 1.169) 3.157 4.901 ( -0.293 1.350 -2.562) 2.910 4.963 ( 0.384 -0.405 -0.551) 0.784 5.311 ( 1.635 1.104 -0.582) 2.057 5.542 ( 0.212 -0.812 0.638) 1.054 5.918 ( -0.478 -1.479 -1.001) 1.849 5.993 ( -1.134 -0.270 1.088) 1.594 8.191 ( 0.557 -0.683 0.131) 0.892 8.215 ( -0.331 0.456 0.923) 1.082 8.366 ( -13.730 -0.232 -0.437) 13.739 8.388 ( -12.807 -0.076 0.265) 12.810 8.870 ( 9.658 1.202 -0.343) 9.739 8.967 ( 11.161 -0.415 0.392) 11.176 9.021 ( 2.477 -0.480 -1.729) 3.059 9.139 ( 0.164 0.147 1.866) 1.879 9.914 ( -2.371 -0.512 -1.194) 2.704 10.011 ( -1.709 0.942 2.683) 3.318 10.174 ( 0.078 -0.899 -2.561) 2.715 10.453 ( 0.623 -3.112 6.475) 7.211 10.557 ( -2.011 2.074 -7.038) 7.608 10.972 ( -0.998 -3.456 4.096) 5.451 11.176 ( 1.690 5.563 -2.376) 6.281 11.467 ( -0.308 -1.812 -0.258) 1.856 ======================= Grid point 91 (31/125) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.057 0.524 -0.245) 0.581 0.905 ( 1.107 -4.649 -3.495) 5.921 0.961 ( 6.704 -1.128 -2.840) 7.367 1.249 ( 0.877 2.550 1.613) 3.142 1.286 ( 0.362 -0.194 -0.788) 0.889 1.416 ( 1.002 1.379 1.770) 2.457 1.464 ( 2.221 0.494 0.652) 2.367 1.538 ( 2.458 -0.315 -1.161) 2.737 1.624 ( 4.813 -3.667 -0.941) 6.123 1.706 ( -0.943 -4.274 -6.890) 8.163 1.904 ( 4.321 1.980 1.864) 5.105 2.005 ( 0.046 2.314 -1.900) 2.994 2.011 ( -4.211 1.040 0.506) 4.367 2.097 ( -0.162 0.733 3.734) 3.809 2.189 ( -2.305 5.324 -3.124) 6.589 2.273 ( -1.636 -1.179 3.888) 4.380 2.442 ( 2.503 0.923 -4.916) 5.593 2.519 ( 1.050 -1.191 -0.212) 1.602 2.589 ( 1.697 -2.949 -0.913) 3.523 2.631 ( -3.818 1.329 1.571) 4.337 2.724 ( 3.819 1.108 -2.412) 4.651 2.904 ( 0.976 -7.994 -4.828) 9.389 3.063 ( 1.186 1.216 8.064) 8.241 3.227 ( -1.064 -4.437 3.371) 5.673 3.406 ( 0.040 4.140 0.904) 4.237 3.635 ( -3.957 4.415 -0.857) 5.990 3.646 ( -9.136 1.347 -1.659) 9.382 3.912 ( -1.227 -2.160 8.183) 8.552 3.960 ( 1.433 -2.016 0.075) 2.475 4.051 ( -0.649 4.327 0.042) 4.375 4.420 ( 0.863 -4.665 -1.736) 5.052 4.597 ( 0.427 1.250 2.230) 2.592 4.868 ( 2.494 -0.546 -0.712) 2.651 4.961 ( -0.532 -0.269 -1.292) 1.423 5.263 ( 0.603 -1.093 -5.327) 5.471 5.599 ( -3.691 1.685 3.357) 5.266 5.924 ( -2.221 -0.709 -2.484) 3.407 6.028 ( -1.784 1.084 0.128) 2.091 8.189 ( -0.046 -0.437 1.121) 1.204 8.227 ( 0.306 0.653 1.570) 1.728 8.369 ( 13.690 -0.063 -0.418) 13.697 8.381 ( 12.135 -0.343 -0.587) 12.154 8.870 ( -9.589 0.988 -0.593) 9.658 8.960 ( -10.041 -0.638 0.912) 10.102 9.020 ( -3.549 -0.421 -1.540) 3.891 9.137 ( 1.117 0.044 1.088) 1.560 9.935 ( -0.061 0.580 -0.131) 0.598 9.973 ( 4.300 -0.963 -1.317) 4.599 10.233 ( -4.062 1.911 3.796) 5.879 10.441 ( 2.062 -2.392 6.572) 7.292 10.588 ( -3.827 2.243 -8.145) 9.274 10.990 ( -1.631 -2.591 3.178) 4.413 11.179 ( 1.626 5.753 -3.238) 6.799 11.443 ( 0.895 -3.043 1.092) 3.355 ======================= Grid point 92 (32/125) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 7.163 -4.742 -6.128) 10.552 0.827 ( 2.863 0.159 2.702) 3.940 0.881 ( 3.080 -0.639 2.442) 3.982 1.223 ( 6.199 0.793 2.733) 6.821 1.284 ( -1.573 -0.460 -2.256) 2.788 1.353 ( 7.309 0.264 -1.037) 7.386 1.445 ( 2.921 -0.984 -1.256) 3.328 1.456 ( 3.926 -1.184 -2.986) 5.072 1.457 ( 2.973 -0.956 -0.394) 3.148 1.680 ( 3.111 -0.801 -5.752) 6.588 1.804 ( 7.411 0.501 1.045) 7.501 1.995 ( 0.316 2.522 -5.644) 6.190 2.058 ( 9.031 -1.015 -5.166) 10.453 2.099 ( -3.563 0.728 0.611) 3.688 2.161 ( 4.079 -0.728 2.841) 5.024 2.352 ( 4.089 0.754 -1.651) 4.474 2.390 ( -0.542 0.787 8.542) 8.596 2.479 ( 0.135 -0.942 2.197) 2.394 2.549 ( -6.256 -0.001 -2.719) 6.821 2.645 ( -2.128 1.741 -5.252) 5.928 2.824 ( -7.483 -2.767 1.297) 8.083 2.861 ( -6.100 -2.226 0.488) 6.512 3.102 ( -0.070 1.266 5.567) 5.710 3.241 ( -2.218 -3.206 0.994) 4.023 3.453 ( -1.284 2.337 0.627) 2.739 3.749 ( -3.680 5.746 -1.288) 6.944 3.852 ( -10.377 1.107 0.857) 10.471 3.909 ( -1.084 -2.261 -2.797) 3.756 3.950 ( 0.292 -4.198 9.722) 10.594 4.134 ( -2.981 5.351 -0.081) 6.126 4.372 ( -1.856 -5.471 -2.255) 6.202 4.622 ( -1.115 0.262 2.362) 2.625 4.832 ( 0.109 -0.683 -0.041) 0.693 4.950 ( 1.108 -0.180 0.586) 1.267 5.249 ( -3.376 -0.581 -5.886) 6.810 5.700 ( -3.774 1.179 3.285) 5.140 5.953 ( -2.918 -0.054 -3.417) 4.494 6.066 ( -1.889 0.997 -2.071) 2.975 8.005 ( 19.938 -0.495 0.334) 19.947 8.061 ( 19.120 0.065 0.987) 19.146 8.253 ( -2.679 0.375 0.138) 2.708 8.267 ( -0.703 0.041 0.434) 0.827 9.019 ( -3.333 2.210 -0.185) 4.003 9.089 ( -6.226 -2.705 0.210) 6.792 9.127 ( -2.903 0.134 -1.081) 3.101 9.215 ( -13.822 -0.106 0.580) 13.834 9.847 ( 7.022 -0.190 -1.239) 7.133 9.953 ( -0.074 0.455 0.703) 0.841 10.343 ( -2.151 3.290 6.421) 7.529 10.415 ( 1.648 -3.147 6.267) 7.203 10.633 ( -4.085 2.025 -8.769) 9.883 11.017 ( -1.129 -0.881 3.164) 3.473 11.181 ( 0.768 4.306 -4.316) 6.145 11.400 ( 1.569 -3.297 1.701) 4.028 ======================= Grid point 93 (33/125) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 10.338 -0.000 -5.767) 11.838 0.693 ( 14.927 0.000 2.189) 15.087 0.860 ( 0.563 0.000 2.031) 2.107 1.122 ( 3.049 0.000 0.987) 3.205 1.185 ( 16.563 -0.000 -2.231) 16.713 1.271 ( 4.668 -0.000 -1.600) 4.935 1.366 ( 1.627 -0.000 -3.866) 4.194 1.367 ( 0.107 -0.000 -0.235) 0.258 1.452 ( 0.432 -0.000 -3.983) 4.006 1.524 ( 8.334 -0.000 -3.843) 9.177 1.684 ( 5.204 -0.000 -1.104) 5.320 1.698 ( 13.145 -0.000 -5.131) 14.111 2.096 ( -6.479 0.000 -0.827) 6.531 2.150 ( 0.909 0.000 4.023) 4.124 2.175 ( -2.830 0.000 2.509) 3.782 2.260 ( 10.597 -0.000 -0.335) 10.602 2.321 ( 1.287 0.000 0.938) 1.592 2.510 ( -0.580 0.000 1.652) 1.751 2.744 ( -8.482 -0.000 -1.640) 8.639 2.780 ( -13.539 0.000 2.863) 13.839 2.864 ( -3.258 -0.000 -1.210) 3.475 3.041 ( -8.664 0.000 2.717) 9.080 3.135 ( -0.789 0.000 0.966) 1.247 3.258 ( -1.466 0.000 -0.171) 1.476 3.495 ( -2.036 0.000 0.834) 2.200 3.824 ( -0.714 -0.000 -2.445) 2.548 3.857 ( 0.101 -0.000 -4.084) 4.086 3.935 ( 3.249 0.000 14.085) 14.455 4.091 ( -10.288 0.000 0.103) 10.288 4.195 ( -2.059 -0.000 -4.524) 4.970 4.397 ( -5.252 -0.000 -1.661) 5.508 4.666 ( -2.458 0.000 1.709) 2.993 4.855 ( -2.050 0.000 1.809) 2.735 4.940 ( 0.067 0.000 0.825) 0.828 5.294 ( -4.030 -0.000 -3.214) 5.155 5.777 ( -2.464 0.000 2.494) 3.506 5.978 ( -1.857 -0.000 -3.504) 3.966 6.085 ( -1.970 -0.000 -5.287) 5.642 7.656 ( 18.024 -0.000 -0.107) 18.024 7.733 ( 17.461 -0.000 0.544) 17.470 8.286 ( -0.968 0.000 0.283) 1.008 8.323 ( -4.158 0.000 0.551) 4.195 9.072 ( -2.124 0.000 0.205) 2.134 9.102 ( -0.832 0.000 0.683) 1.077 9.250 ( -7.278 -0.000 -1.739) 7.483 9.437 ( -10.556 0.000 0.749) 10.582 9.703 ( 8.427 -0.000 -1.208) 8.513 9.960 ( 0.312 0.000 1.784) 1.811 10.360 ( 3.947 0.000 5.922) 7.117 10.468 ( -3.156 0.000 8.185) 8.773 10.663 ( -3.265 -0.000 -8.860) 9.442 11.044 ( 0.192 0.000 4.369) 4.374 11.171 ( -0.330 -0.000 -5.395) 5.405 11.363 ( 1.516 0.000 1.337) 2.022 ======================= Grid point 94 (34/125) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 11.006 0.000 -0.000) 11.006 0.707 ( 16.159 0.000 -0.000) 16.159 0.872 ( 0.830 0.000 -0.000) 0.830 1.125 ( 0.444 0.000 -0.000) 0.444 1.172 ( 21.723 0.000 -0.000) 21.723 1.263 ( 4.981 0.000 -0.000) 4.981 1.342 ( -0.154 -0.000 0.000) 0.154 1.366 ( -0.953 -0.000 0.000) 0.953 1.433 ( 3.104 0.000 -0.000) 3.104 1.502 ( 8.953 0.000 -0.000) 8.953 1.673 ( 11.273 0.000 -0.000) 11.273 1.679 ( 5.285 0.000 -0.000) 5.285 2.090 ( -8.984 -0.000 0.000) 8.984 2.168 ( 0.940 0.000 -0.000) 0.940 2.193 ( -3.967 -0.000 0.000) 3.967 2.260 ( 13.319 0.000 -0.000) 13.319 2.328 ( 0.501 0.000 -0.000) 0.501 2.520 ( -0.029 -0.000 0.000) 0.029 2.735 ( -9.255 -0.000 0.000) 9.255 2.795 ( -14.363 -0.000 0.000) 14.363 2.857 ( -3.433 -0.000 0.000) 3.433 3.054 ( -8.785 -0.000 0.000) 8.785 3.141 ( 0.464 0.000 -0.000) 0.464 3.257 ( -1.144 -0.000 0.000) 1.144 3.500 ( -2.405 -0.000 0.000) 2.405 3.815 ( -2.802 -0.000 0.000) 2.802 3.829 ( 3.311 0.000 -0.000) 3.311 4.037 ( 3.108 0.000 -0.000) 3.108 4.090 ( -9.490 -0.000 0.000) 9.490 4.147 ( -2.647 -0.000 0.000) 2.647 4.388 ( -5.455 -0.000 0.000) 5.455 4.675 ( -2.451 -0.000 0.000) 2.451 4.867 ( -3.056 -0.000 0.000) 3.056 4.945 ( 0.037 0.000 -0.000) 0.037 5.277 ( -4.443 -0.000 0.000) 4.443 5.791 ( -2.529 -0.000 0.000) 2.529 5.959 ( -1.572 -0.000 0.000) 1.572 6.053 ( -0.018 -0.000 0.000) 0.018 7.656 ( 18.048 0.000 -0.000) 18.048 7.736 ( 17.510 0.000 -0.000) 17.510 8.288 ( -0.890 -0.000 0.000) 0.890 8.326 ( -4.208 -0.000 0.000) 4.208 9.074 ( -2.386 -0.000 0.000) 2.386 9.106 ( -0.745 -0.000 0.000) 0.745 9.240 ( -7.244 -0.000 0.000) 7.244 9.441 ( -10.672 -0.000 0.000) 10.672 9.696 ( 8.566 0.000 -0.000) 8.566 9.970 ( -0.101 -0.000 0.000) 0.101 10.396 ( 2.944 0.000 -0.000) 2.944 10.542 ( -3.375 -0.000 0.000) 3.375 10.585 ( -3.281 -0.000 0.000) 3.281 11.103 ( 2.124 0.000 -0.000) 2.124 11.106 ( -2.340 -0.000 0.000) 2.340 11.371 ( 1.500 0.000 -0.000) 1.500 ======================= Grid point 96 (35/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( -0.000 14.166 5.089) 15.053 0.333 ( -0.000 9.761 14.456) 17.443 0.622 ( -0.000 22.069 14.466) 26.387 0.879 ( -0.000 -0.083 0.941) 0.945 1.137 ( -0.000 3.288 4.865) 5.872 1.138 ( -0.000 4.113 -5.162) 6.600 1.241 ( -0.000 3.186 4.176) 5.252 1.347 ( 0.000 4.763 -7.932) 9.253 1.453 ( -0.000 -0.693 4.773) 4.823 1.575 ( -0.000 -0.251 1.896) 1.912 1.654 ( -0.000 2.776 6.741) 7.290 1.706 ( 0.000 -1.378 -0.528) 1.476 1.882 ( 0.000 1.961 -3.167) 3.725 2.037 ( 0.000 -0.862 -5.980) 6.042 2.141 ( 0.000 2.237 -3.886) 4.484 2.281 ( -0.000 -1.168 2.613) 2.862 2.337 ( -0.000 1.817 2.082) 2.763 2.526 ( -0.000 0.274 2.120) 2.138 2.845 ( 0.000 -7.423 -2.076) 7.708 2.936 ( 0.000 -0.546 -3.198) 3.245 3.091 ( -0.000 5.079 -3.557) 6.200 3.143 ( -0.000 -0.573 0.757) 0.950 3.166 ( 0.000 -1.991 -7.902) 8.149 3.504 ( -0.000 10.138 -7.378) 12.539 3.517 ( 0.000 -4.535 -3.866) 5.959 3.675 ( 0.000 -8.021 5.369) 9.652 3.860 ( -0.000 -4.308 10.739) 11.571 4.007 ( -0.000 6.894 -8.324) 10.808 4.190 ( -0.000 -0.509 5.452) 5.475 4.295 ( 0.000 0.890 -1.462) 1.711 4.594 ( -0.000 5.818 0.836) 5.878 4.790 ( -0.000 1.792 1.226) 2.172 4.873 ( 0.000 6.423 -10.813) 12.577 4.968 ( 0.000 -0.289 -0.683) 0.742 5.360 ( -0.000 0.247 1.873) 1.889 5.799 ( 0.000 -2.161 -2.514) 3.315 5.981 ( -0.000 -2.156 4.249) 4.764 6.167 ( 0.000 -12.388 14.978) 19.437 7.293 ( 0.000 -0.793 0.013) 0.793 7.373 ( 0.000 -1.513 -0.122) 1.518 8.301 ( 0.000 -0.721 0.325) 0.791 8.399 ( 0.000 -1.518 -0.481) 1.593 9.055 ( -0.000 1.080 0.632) 1.252 9.208 ( 0.000 -0.087 -1.124) 1.128 9.458 ( -0.000 0.660 2.402) 2.491 9.523 ( -0.000 6.606 -7.973) 10.354 9.637 ( 0.000 0.548 -1.249) 1.364 9.922 ( 0.000 -2.901 -3.464) 4.518 10.065 ( -0.000 1.492 1.996) 2.492 10.443 ( -0.000 -8.402 13.088) 15.553 10.590 ( 0.000 1.534 -2.706) 3.111 11.131 ( -0.000 3.422 1.046) 3.578 11.147 ( 0.000 0.328 -2.142) 2.167 11.307 ( 0.000 -2.939 -0.821) 3.051 ======================= Grid point 97 (36/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -9.160 8.495 0.841) 12.522 0.631 ( -9.986 10.484 8.737) 16.911 0.855 ( -0.536 0.689 1.718) 1.927 0.967 ( -9.655 9.713 3.383) 14.107 1.150 ( -0.566 5.071 -2.833) 5.836 1.247 ( -5.751 -0.766 3.305) 6.677 1.297 ( -2.959 5.376 2.643) 6.681 1.386 ( -0.446 4.065 -2.722) 4.912 1.483 ( 0.159 0.719 8.050) 8.084 1.592 ( -2.005 0.229 0.379) 2.053 1.627 ( 2.052 2.357 -0.347) 3.144 1.753 ( -0.617 6.606 8.162) 10.519 1.961 ( -8.276 -1.838 -5.013) 9.849 2.042 ( -4.007 -3.327 -8.299) 9.798 2.146 ( -1.079 1.340 -6.533) 6.755 2.278 ( 0.654 -1.498 3.831) 4.165 2.330 ( 3.920 2.466 4.778) 6.654 2.544 ( 0.743 2.324 4.154) 4.818 2.735 ( 2.784 -7.539 -4.269) 9.100 2.861 ( 5.171 -1.686 -1.396) 5.615 3.050 ( 3.722 -2.837 -7.979) 9.250 3.103 ( 2.456 4.450 -2.551) 5.687 3.139 ( 1.135 0.461 -1.578) 1.998 3.432 ( 1.819 -5.918 -3.111) 6.929 3.505 ( 5.347 8.332 0.296) 9.904 3.666 ( -0.245 -4.435 6.567) 7.929 3.863 ( 0.812 -0.955 7.041) 7.152 4.017 ( 0.162 1.012 -2.581) 2.777 4.185 ( 2.643 1.750 -1.666) 3.581 4.255 ( 4.566 1.586 -1.743) 5.138 4.617 ( 3.505 6.775 0.782) 7.668 4.757 ( 4.664 3.255 -1.527) 5.889 4.875 ( 0.383 1.488 -4.004) 4.289 4.947 ( 1.092 -0.066 -0.772) 1.338 5.368 ( 1.213 0.721 3.348) 3.633 5.751 ( 1.117 -2.993 -3.492) 4.733 5.986 ( -0.115 -2.936 4.491) 5.366 6.102 ( 2.781 -6.550 7.138) 10.079 7.403 ( -12.004 -0.226 -0.292) 12.009 7.458 ( -10.989 -1.252 -0.685) 11.081 8.290 ( 0.645 -0.777 0.259) 1.042 8.360 ( 2.344 -1.720 -0.621) 2.973 9.066 ( 0.923 0.185 0.204) 0.963 9.151 ( 3.588 0.061 -0.151) 3.591 9.461 ( 6.396 4.712 -1.040) 8.012 9.571 ( -7.604 0.742 2.406) 8.010 9.584 ( 5.491 0.663 -1.512) 5.733 9.885 ( -1.447 -3.418 -3.904) 5.387 10.179 ( -6.308 -1.636 -3.025) 7.184 10.460 ( -1.414 -4.298 4.232) 6.195 10.589 ( 0.014 -0.439 -0.068) 0.444 11.069 ( 3.709 0.454 0.791) 3.820 11.170 ( 0.576 0.163 1.480) 1.596 11.344 ( -4.908 -0.828 -2.829) 5.725 ======================= Grid point 98 (37/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -7.195 2.206 -2.748) 8.011 0.841 ( -0.801 2.276 0.155) 2.418 0.920 ( -5.412 10.837 3.210) 12.531 1.180 ( -8.433 1.294 -2.971) 9.034 1.206 ( -2.265 3.646 0.378) 4.309 1.340 ( -3.908 -0.564 0.545) 3.986 1.365 ( 2.032 0.635 1.483) 2.594 1.469 ( -6.188 6.055 2.258) 8.948 1.529 ( 0.633 0.428 7.690) 7.728 1.656 ( -2.838 1.391 2.990) 4.351 1.681 ( -5.034 2.995 -2.403) 6.331 1.877 ( -5.838 1.096 1.064) 6.034 2.004 ( -3.448 -0.835 -5.729) 6.739 2.080 ( -0.097 -4.075 -4.450) 6.035 2.152 ( -8.761 -0.334 -0.584) 8.786 2.273 ( 2.799 -0.904 1.288) 3.211 2.304 ( 2.000 1.074 3.564) 4.226 2.552 ( 3.135 1.230 -1.400) 3.647 2.642 ( 1.101 -0.063 3.838) 3.993 2.732 ( 6.869 -0.518 1.013) 6.962 2.885 ( 6.639 -3.232 -7.925) 10.832 3.064 ( 2.936 -0.888 -0.900) 3.197 3.123 ( 1.903 7.741 -3.676) 8.779 3.324 ( 3.051 -6.864 -1.602) 7.680 3.481 ( 5.371 7.020 3.426) 9.480 3.661 ( 1.668 -3.433 7.064) 8.030 3.868 ( 1.388 -2.262 3.135) 4.107 3.989 ( 1.717 -4.078 3.698) 5.767 4.111 ( 5.192 3.807 -7.355) 9.775 4.155 ( 7.364 3.690 -1.733) 8.417 4.602 ( 4.355 5.561 0.097) 7.064 4.682 ( 4.844 2.459 -2.511) 5.984 4.850 ( 0.833 0.718 -2.782) 2.991 4.944 ( -0.632 0.925 -0.147) 1.130 5.364 ( 2.577 1.360 4.762) 5.583 5.673 ( 2.328 -3.436 -3.844) 5.657 5.978 ( 0.680 -2.833 3.256) 4.369 6.042 ( 1.680 -4.921 2.882) 5.945 7.680 ( -18.523 0.307 -0.274) 18.527 7.712 ( -18.146 -0.536 -0.596) 18.164 8.268 ( 1.301 -0.768 -0.158) 1.519 8.294 ( 2.943 -1.099 -0.224) 3.149 9.026 ( 2.846 -0.273 -0.665) 2.935 9.120 ( 0.658 0.154 1.484) 1.631 9.353 ( 9.437 2.890 0.101) 9.870 9.437 ( 10.558 0.505 -1.166) 10.634 9.731 ( -7.920 0.430 1.666) 8.105 9.883 ( -3.160 -2.344 -2.259) 4.537 10.217 ( -1.887 -2.053 -2.696) 3.879 10.457 ( 0.085 0.601 -2.892) 2.955 10.576 ( 0.071 -4.300 3.461) 5.520 11.033 ( 1.634 -0.778 3.095) 3.585 11.160 ( 1.170 0.928 -0.120) 1.499 11.404 ( -3.729 0.174 -2.797) 4.665 ======================= Grid point 99 (38/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -2.551 -0.060 -3.259) 4.139 0.869 ( -2.807 -0.152 -2.847) 4.001 1.106 ( -2.180 10.015 4.005) 11.004 1.221 ( 2.188 0.921 -0.787) 2.501 1.307 ( -0.675 0.635 -1.357) 1.643 1.324 ( -3.544 -0.504 -0.830) 3.675 1.422 ( -3.893 -0.026 -0.860) 3.987 1.542 ( 1.113 1.096 3.723) 4.038 1.622 ( -6.543 1.992 0.600) 6.866 1.697 ( 0.187 -2.864 -2.401) 3.742 1.786 ( -6.826 1.963 2.745) 7.615 1.980 ( -2.145 -2.777 -1.819) 3.952 2.044 ( -3.273 0.575 0.457) 3.355 2.064 ( -3.220 0.998 -3.539) 4.887 2.161 ( 7.638 -0.804 3.534) 8.455 2.258 ( -1.436 -1.323 -3.619) 4.112 2.345 ( -6.709 -0.968 1.630) 6.972 2.530 ( -2.976 -1.291 -0.228) 3.252 2.628 ( 5.124 3.005 1.500) 6.126 2.689 ( 2.420 -0.782 -3.837) 4.603 2.699 ( 5.334 0.474 2.405) 5.870 3.004 ( 1.218 -0.165 -3.279) 3.501 3.172 ( -0.395 8.665 0.445) 8.685 3.197 ( 3.643 -6.874 -0.333) 7.787 3.476 ( 3.509 5.537 4.911) 8.191 3.605 ( 5.316 -3.476 5.111) 8.153 3.768 ( 7.773 -2.651 -1.902) 8.430 3.945 ( 1.631 -4.456 6.191) 7.800 4.023 ( 3.104 3.183 -6.262) 7.679 4.069 ( 5.122 4.514 -0.226) 6.832 4.553 ( 4.132 1.074 -0.918) 4.367 4.621 ( 3.231 3.094 -1.052) 4.595 4.845 ( -1.408 1.083 -3.602) 4.017 4.967 ( -0.530 0.568 0.073) 0.780 5.352 ( 2.887 1.281 4.221) 5.272 5.580 ( 2.553 -2.612 -3.014) 4.735 5.947 ( 1.327 -2.928 1.207) 3.434 6.001 ( 0.216 -2.496 1.175) 2.767 8.029 ( -19.869 0.354 -0.238) 19.873 8.050 ( -19.068 0.292 -0.364) 19.074 8.227 ( 1.756 -0.710 -0.110) 1.897 8.258 ( 0.244 -0.452 0.437) 0.674 8.970 ( 2.901 -0.058 -0.808) 3.012 9.123 ( 2.020 -0.224 1.764) 2.691 9.180 ( 10.011 1.076 -0.430) 10.078 9.217 ( 13.782 0.603 -0.231) 13.797 9.852 ( -5.035 -1.050 -0.512) 5.169 9.947 ( -5.128 0.866 1.892) 5.534 10.189 ( 1.170 -1.934 -2.707) 3.527 10.449 ( -0.605 2.258 -5.497) 5.973 10.557 ( 0.027 -5.234 4.874) 7.152 11.020 ( 0.964 -1.900 4.197) 4.707 11.150 ( 1.141 3.097 -2.258) 3.999 11.447 ( -2.363 -0.203 -1.643) 2.885 ======================= Grid point 100 (39/125) ======================= q-point: ( 0.67 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -1.734 -0.235 -2.142) 2.766 0.898 ( -2.948 -2.653 -2.806) 4.858 1.085 ( 7.225 -1.971 -2.190) 7.803 1.229 ( -0.266 4.288 1.671) 4.610 1.292 ( 0.487 0.581 0.050) 0.760 1.401 ( -2.805 1.088 -0.483) 3.047 1.477 ( -2.866 0.658 -0.579) 2.997 1.545 ( 1.262 -0.098 1.939) 2.316 1.649 ( 0.831 -3.201 -2.448) 4.115 1.745 ( -4.859 -2.171 1.417) 5.507 1.885 ( -1.698 1.187 -2.989) 3.636 1.966 ( -0.240 -1.310 -0.053) 1.333 2.048 ( 3.453 0.820 2.540) 4.364 2.083 ( -0.160 1.652 -7.431) 7.614 2.098 ( 0.008 3.122 7.254) 7.898 2.275 ( -1.784 0.911 -0.758) 2.142 2.464 ( -2.871 -0.348 1.632) 3.321 2.505 ( 4.788 0.457 -5.068) 6.987 2.584 ( -1.381 -3.556 3.427) 5.128 2.627 ( -2.583 -2.238 -1.361) 3.678 2.726 ( -1.083 2.054 -0.736) 2.436 2.967 ( 1.398 -3.113 -3.703) 5.035 3.109 ( 1.740 -1.468 3.151) 3.887 3.261 ( -0.745 5.025 3.609) 6.232 3.449 ( 5.986 -3.261 2.527) 7.270 3.542 ( 0.131 4.452 2.773) 5.246 3.604 ( 5.043 0.086 -2.694) 5.718 3.913 ( 1.178 1.594 -4.622) 5.029 4.009 ( -0.552 -1.593 6.482) 6.698 4.039 ( 2.491 3.308 0.915) 4.241 4.478 ( 2.725 -2.595 -1.003) 3.894 4.605 ( 1.590 2.989 0.626) 3.443 4.871 ( -2.370 0.502 -2.855) 3.744 4.953 ( 1.332 -1.289 -1.110) 2.160 5.307 ( 3.973 -1.091 -0.148) 4.123 5.549 ( -1.399 0.884 0.559) 1.747 5.909 ( 0.120 -2.435 -0.688) 2.534 6.003 ( -0.772 0.050 0.735) 1.067 8.193 ( 0.367 -0.233 0.188) 0.473 8.224 ( -0.552 1.058 0.658) 1.363 8.362 ( -13.788 -0.360 -0.289) 13.796 8.391 ( -12.582 -0.219 0.204) 12.586 8.867 ( 9.778 0.932 -0.306) 9.827 8.972 ( 10.678 -0.043 0.457) 10.688 9.004 ( 2.574 -1.143 -1.272) 3.090 9.156 ( 0.601 0.731 1.280) 1.592 9.904 ( -2.746 -0.806 -0.790) 2.968 10.037 ( 0.956 1.017 1.946) 2.395 10.159 ( -3.166 -0.290 -0.183) 3.184 10.461 ( -1.970 2.137 -5.670) 6.371 10.538 ( 0.561 -3.871 4.327) 5.833 11.014 ( -0.095 -2.514 3.634) 4.420 11.146 ( 1.563 4.895 -3.177) 6.041 11.465 ( -0.941 -1.369 -0.213) 1.675 ======================= Grid point 101 (40/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -1.687 -0.697 -0.304) 1.850 0.856 ( 2.216 -6.401 -4.192) 7.966 0.953 ( 4.224 -0.221 0.245) 4.237 1.249 ( -0.308 0.480 -0.844) 1.019 1.293 ( 1.794 2.167 1.281) 3.091 1.433 ( 0.097 1.190 1.037) 1.582 1.487 ( 4.268 -0.340 3.514) 5.539 1.525 ( 2.066 -0.412 -0.952) 2.312 1.606 ( -1.097 -2.721 -3.326) 4.435 1.649 ( 7.646 -5.095 -2.679) 9.571 1.925 ( 2.297 1.875 1.983) 3.567 1.986 ( 3.479 1.588 -1.581) 4.138 2.015 ( -4.512 1.286 0.126) 4.693 2.069 ( -2.194 1.546 -5.660) 6.264 2.211 ( 0.115 2.496 4.948) 5.543 2.308 ( -4.914 0.740 1.337) 5.147 2.399 ( 1.553 1.414 -2.303) 3.117 2.514 ( 1.296 -1.634 -0.085) 2.088 2.573 ( 3.207 -4.072 -2.040) 5.570 2.659 ( -2.583 1.500 2.394) 3.828 2.704 ( 1.698 0.345 -1.075) 2.039 2.859 ( 0.778 -7.683 -3.288) 8.393 3.130 ( 0.529 2.775 4.168) 5.035 3.273 ( 1.498 -4.532 4.987) 6.903 3.404 ( -1.023 3.617 -1.425) 4.020 3.624 ( -9.711 -0.258 -1.428) 9.819 3.640 ( -2.908 6.042 0.897) 6.765 3.890 ( -0.304 0.895 -4.538) 4.636 4.032 ( 1.000 1.471 3.619) 4.033 4.070 ( -1.145 1.340 5.241) 5.530 4.406 ( 0.938 -5.388 -1.033) 5.566 4.616 ( 0.213 1.909 1.213) 2.272 4.866 ( 2.070 -1.743 0.367) 2.731 4.937 ( -2.572 -0.668 -2.856) 3.901 5.221 ( 2.377 -1.599 -2.480) 3.789 5.627 ( -4.161 2.090 1.747) 4.973 5.902 ( -1.689 -1.243 -1.447) 2.548 6.028 ( -1.020 1.074 -0.131) 1.487 8.201 ( -0.964 0.035 0.992) 1.384 8.240 ( 0.185 1.119 0.833) 1.407 8.365 ( 14.432 -0.710 -0.368) 14.454 8.376 ( 12.284 -0.145 -0.372) 12.290 8.865 ( -9.676 0.756 -0.343) 9.711 8.970 ( -10.101 -0.236 0.850) 10.139 9.005 ( -3.723 -1.084 -1.190) 4.056 9.146 ( 1.702 0.543 0.597) 1.884 9.934 ( -1.114 0.214 -0.004) 1.135 9.962 ( 5.480 -0.532 -0.792) 5.563 10.280 ( -5.651 2.154 4.651) 7.629 10.485 ( -0.816 0.940 -1.914) 2.283 10.520 ( -0.716 -1.670 -0.859) 2.009 11.023 ( -1.213 -2.032 2.992) 3.815 11.142 ( 1.925 5.598 -3.522) 6.888 11.453 ( 0.411 -2.805 0.663) 2.911 ======================= Grid point 102 (41/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 7.281 -5.475 -2.372) 9.413 0.849 ( 0.730 -0.145 1.130) 1.353 0.900 ( 2.534 -0.286 0.989) 2.735 1.236 ( 8.170 0.889 0.280) 8.223 1.265 ( -1.403 -0.673 -1.050) 1.877 1.366 ( 6.741 -1.055 2.928) 7.425 1.415 ( 6.123 -0.795 -3.578) 7.136 1.446 ( 3.766 -0.428 0.471) 3.819 1.453 ( 3.051 -0.581 -0.646) 3.172 1.631 ( 1.695 -1.048 -2.671) 3.333 1.816 ( 9.197 -0.173 0.882) 9.241 1.950 ( 1.667 2.689 -2.349) 3.941 2.006 ( 9.974 -2.245 -3.005) 10.656 2.106 ( -4.284 1.033 0.335) 4.419 2.194 ( 1.818 -1.130 2.185) 3.059 2.336 ( 3.220 1.187 -1.087) 3.600 2.471 ( 5.040 1.420 5.721) 7.755 2.507 ( -1.403 -0.776 2.950) 3.357 2.519 ( -7.539 0.859 -2.684) 8.048 2.589 ( -6.273 0.922 -4.745) 7.919 2.820 ( -4.175 -5.968 -0.597) 7.308 2.874 ( -10.432 0.410 0.806) 10.471 3.149 ( 1.689 1.836 2.489) 3.523 3.251 ( -1.127 -3.365 0.695) 3.616 3.454 ( -2.006 1.778 -0.194) 2.688 3.737 ( -2.913 5.312 -0.596) 6.088 3.851 ( -9.384 1.480 -0.318) 9.506 3.886 ( -4.516 -2.083 -1.206) 5.118 4.055 ( 0.993 -0.585 8.263) 8.343 4.117 ( -1.125 3.613 -3.369) 5.067 4.353 ( -1.720 -5.924 -1.100) 6.266 4.640 ( -1.130 0.523 0.819) 1.491 4.834 ( -0.574 -1.242 0.153) 1.377 4.952 ( 0.163 -0.090 -0.052) 0.193 5.206 ( -3.391 -0.697 -2.078) 4.038 5.724 ( -3.935 1.280 1.151) 4.296 5.927 ( -2.419 -0.344 -1.300) 2.768 6.048 ( -0.603 0.842 -1.003) 1.442 8.008 ( 20.551 -0.459 0.172) 20.557 8.068 ( 19.343 0.117 0.335) 19.347 8.254 ( -3.367 0.307 0.044) 3.382 8.270 ( -0.836 0.171 0.186) 0.874 9.017 ( -3.588 1.914 -0.072) 4.067 9.091 ( -9.574 -2.615 0.113) 9.925 9.118 ( 0.985 0.316 -0.416) 1.115 9.219 ( -14.059 -0.111 0.184) 14.061 9.838 ( 7.214 -0.221 -0.421) 7.229 9.959 ( -0.715 0.536 0.279) 0.936 10.409 ( -1.548 3.820 4.745) 6.285 10.472 ( -0.289 -3.249 4.456) 5.522 10.544 ( -3.637 1.431 -7.429) 8.394 11.055 ( -1.728 -0.705 3.411) 3.889 11.133 ( 1.790 4.624 -4.032) 6.391 11.413 ( 1.355 -3.312 0.624) 3.632 ======================= Grid point 106 (42/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -0.000 6.767 13.986) 15.538 0.508 ( -0.000 5.556 17.126) 18.004 0.775 ( -0.000 12.463 12.801) 17.866 0.891 ( -0.000 -0.087 1.179) 1.183 1.080 ( -0.000 5.052 -5.461) 7.440 1.194 ( -0.000 5.675 5.174) 7.679 1.259 ( 0.000 1.701 -7.715) 7.900 1.283 ( -0.000 2.971 3.508) 4.597 1.528 ( -0.000 -1.075 8.126) 8.197 1.592 ( -0.000 0.011 1.721) 1.721 1.698 ( 0.000 -1.334 -1.025) 1.682 1.756 ( -0.000 2.333 11.872) 12.099 1.843 ( 0.000 1.993 -2.881) 3.503 1.955 ( 0.000 -1.102 -8.884) 8.952 2.082 ( 0.000 0.976 -7.069) 7.136 2.313 ( -0.000 -0.483 3.150) 3.187 2.375 ( -0.000 1.129 4.213) 4.362 2.549 ( -0.000 3.908 2.827) 4.823 2.793 ( 0.000 -8.515 -8.598) 12.101 2.916 ( 0.000 -2.200 -0.294) 2.220 3.037 ( 0.000 3.355 -6.067) 6.933 3.070 ( 0.000 0.573 -8.985) 9.003 3.164 ( -0.000 -1.478 3.158) 3.487 3.472 ( 0.000 -4.820 -4.871) 6.853 3.475 ( -0.000 10.273 0.755) 10.301 3.696 ( 0.000 0.231 -2.209) 2.221 3.950 ( -0.000 -2.817 6.988) 7.535 3.966 ( -0.000 4.679 1.607) 4.948 4.223 ( 0.000 -2.955 0.717) 3.040 4.271 ( 0.000 0.700 -2.973) 3.054 4.604 ( -0.000 5.519 0.793) 5.576 4.780 ( -0.000 5.839 -6.964) 9.088 4.810 ( -0.000 1.323 2.348) 2.695 4.957 ( 0.000 -0.092 -1.472) 1.474 5.395 ( -0.000 0.067 4.685) 4.685 5.762 ( 0.000 -2.233 -4.495) 5.019 6.042 ( -0.000 -2.804 6.799) 7.355 6.270 ( 0.000 -11.547 4.640) 12.444 7.294 ( 0.000 -0.675 0.191) 0.701 7.364 ( 0.000 -1.318 -1.415) 1.934 8.309 ( 0.000 -1.054 1.195) 1.594 8.392 ( 0.000 -1.447 -0.943) 1.727 9.065 ( -0.000 1.043 1.242) 1.621 9.189 ( 0.000 0.530 -2.416) 2.474 9.477 ( -0.000 5.547 -1.036) 5.643 9.496 ( -0.000 0.294 4.561) 4.571 9.617 ( 0.000 0.619 -2.303) 2.384 9.870 ( 0.000 -2.639 -6.026) 6.578 10.096 ( -0.000 1.675 3.818) 4.169 10.454 ( 0.000 1.655 -6.943) 7.137 10.661 ( 0.000 -9.758 12.261) 15.670 11.113 ( 0.000 -0.991 -4.155) 4.272 11.149 ( -0.000 4.788 2.328) 5.324 11.294 ( 0.000 -1.809 -1.626) 2.432 ======================= Grid point 107 (43/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -4.314 5.173 7.481) 10.067 0.738 ( -6.536 9.788 10.591) 15.833 0.860 ( 2.325 0.394 -0.756) 2.476 0.997 ( -7.951 4.788 1.575) 9.414 1.115 ( -1.748 6.174 -3.470) 7.295 1.270 ( -5.452 -1.685 -0.464) 5.726 1.324 ( -4.986 7.134 3.451) 9.363 1.373 ( -2.173 2.815 0.706) 3.625 1.577 ( -1.429 -0.002 8.134) 8.259 1.598 ( 0.516 -1.725 1.157) 2.140 1.633 ( 0.399 1.028 1.342) 1.737 1.851 ( 2.261 3.552 6.333) 7.605 1.908 ( -6.122 -1.436 -3.774) 7.333 1.964 ( -7.860 -0.824 -3.431) 8.616 2.063 ( -2.090 -0.879 -8.293) 8.598 2.317 ( 0.979 -0.674 3.395) 3.598 2.374 ( 2.732 0.596 2.999) 4.100 2.595 ( 3.368 5.145 3.326) 6.991 2.663 ( 0.336 -4.687 -7.689) 9.011 2.856 ( 3.970 -3.095 0.819) 5.100 2.955 ( 2.533 -3.822 -8.304) 9.486 3.069 ( 1.741 7.549 -4.118) 8.774 3.137 ( 3.521 -1.329 1.246) 3.964 3.397 ( 1.074 -4.557 -4.000) 6.157 3.523 ( 4.353 8.805 3.076) 10.293 3.709 ( -0.023 1.782 0.919) 2.005 3.939 ( 2.030 -1.534 7.118) 7.559 4.010 ( 0.480 2.628 1.828) 3.237 4.163 ( 3.367 -2.810 -2.472) 5.035 4.229 ( 3.658 1.109 -3.191) 4.980 4.621 ( 3.382 6.107 0.093) 6.982 4.728 ( 4.634 3.468 -3.859) 6.957 4.848 ( 0.061 1.147 -0.823) 1.413 4.936 ( 0.869 0.373 -1.352) 1.650 5.417 ( 0.869 0.149 5.756) 5.823 5.705 ( 1.014 -2.837 -5.132) 5.951 6.043 ( 0.605 -4.024 5.823) 7.104 6.161 ( 3.514 -7.776 3.544) 9.240 7.401 ( -11.811 -0.210 0.058) 11.813 7.447 ( -11.094 -0.989 -1.288) 11.212 8.296 ( 1.058 -0.882 0.836) 1.611 8.351 ( 2.264 -1.531 -0.989) 2.906 9.071 ( 1.725 0.387 0.547) 1.851 9.146 ( 2.369 0.578 -0.747) 2.551 9.458 ( 5.210 3.550 0.673) 6.340 9.563 ( 5.242 0.808 -2.306) 5.784 9.604 ( -7.019 0.268 3.684) 7.932 9.834 ( -2.421 -2.921 -5.485) 6.669 10.172 ( -3.062 0.537 1.457) 3.434 10.426 ( 0.992 2.743 -7.080) 7.657 10.658 ( -0.551 -7.902 9.702) 12.525 11.058 ( 0.890 -0.527 -2.777) 2.963 11.192 ( 0.845 0.113 2.245) 2.401 11.313 ( -3.726 0.398 -2.707) 4.623 ======================= Grid point 108 (44/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -4.568 1.526 0.661) 4.861 0.822 ( 0.435 1.124 -3.277) 3.491 0.970 ( -4.184 12.001 5.786) 13.964 1.144 ( -5.952 3.400 -3.781) 7.828 1.215 ( -5.826 1.654 0.986) 6.136 1.342 ( -1.413 -0.852 0.114) 1.654 1.386 ( 0.317 -1.439 1.867) 2.379 1.485 ( -5.084 4.967 1.166) 7.203 1.599 ( 0.788 -0.376 3.609) 3.713 1.668 ( -2.691 3.504 1.610) 4.702 1.710 ( -5.558 -1.652 6.357) 8.605 1.853 ( -5.254 -2.514 -5.763) 8.194 1.963 ( -5.391 -0.044 -1.511) 5.599 2.013 ( -2.529 -4.937 -7.362) 9.217 2.173 ( -8.574 -0.255 4.667) 9.765 2.291 ( 4.103 -0.338 1.898) 4.533 2.337 ( 2.363 -0.185 2.219) 3.247 2.501 ( 1.898 -0.682 -8.019) 8.268 2.675 ( 2.538 3.900 0.407) 4.671 2.756 ( 4.915 -2.417 3.496) 6.498 2.832 ( 5.705 0.099 -0.290) 5.713 3.037 ( 4.901 -1.066 -3.954) 6.387 3.097 ( 0.735 8.803 -1.000) 8.890 3.306 ( 2.901 -5.206 -1.980) 6.280 3.527 ( 5.179 8.010 5.057) 10.796 3.714 ( 1.983 0.360 2.403) 3.136 3.901 ( 4.376 -3.257 2.656) 6.067 4.013 ( 3.047 4.023 -1.901) 5.393 4.049 ( 3.346 -4.734 -0.051) 5.798 4.141 ( 5.965 3.125 -1.404) 6.879 4.600 ( 4.234 4.871 -0.354) 6.463 4.651 ( 4.394 2.903 -3.067) 6.094 4.824 ( 1.281 -0.125 -1.918) 2.310 4.941 ( -0.860 1.533 -0.282) 1.780 5.423 ( 2.245 0.100 6.018) 6.424 5.625 ( 2.079 -2.818 -5.037) 6.135 6.015 ( 1.441 -3.998 3.504) 5.508 6.065 ( 2.420 -5.607 1.314) 6.247 7.677 ( -18.561 0.004 -0.203) 18.562 7.705 ( -18.233 0.006 -0.619) 18.243 8.267 ( 1.824 -0.710 0.011) 1.957 8.291 ( 2.447 -0.774 -0.275) 2.581 9.020 ( 3.198 -0.341 -0.392) 3.240 9.134 ( 0.157 0.691 1.003) 1.228 9.357 ( 9.341 1.864 0.684) 9.550 9.423 ( 10.119 0.884 -1.473) 10.264 9.751 ( -7.133 -0.413 1.969) 7.411 9.857 ( -5.000 -1.503 -2.556) 5.813 10.204 ( 0.042 -0.400 0.257) 0.477 10.396 ( 0.819 3.180 -6.535) 7.314 10.640 ( -0.068 -7.602 6.457) 9.974 11.049 ( -0.321 0.524 -0.136) 0.630 11.164 ( 2.169 -1.007 0.805) 2.524 11.376 ( -3.772 0.999 -2.316) 4.538 ======================= Grid point 109 (45/125) ======================= q-point: ( 0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -2.173 -0.226 -1.391) 2.590 0.837 ( -3.273 -0.688 -2.757) 4.334 1.151 ( -2.188 9.038 4.330) 10.258 1.213 ( 2.741 1.969 -0.967) 3.511 1.285 ( -3.693 -0.675 -2.376) 4.443 1.318 ( 0.799 -0.825 -0.335) 1.197 1.416 ( -4.766 -1.967 -0.306) 5.165 1.582 ( -0.319 1.191 3.288) 3.512 1.635 ( -5.518 0.079 1.581) 5.740 1.668 ( 0.966 -1.171 -2.581) 2.994 1.809 ( -3.679 1.467 0.564) 4.001 1.958 ( -4.674 -3.285 -1.171) 5.831 2.020 ( -3.348 0.963 -2.090) 4.062 2.074 ( -5.539 -2.054 1.999) 6.236 2.190 ( 6.706 -0.443 1.720) 6.938 2.224 ( -0.486 -0.065 -2.558) 2.605 2.364 ( -5.012 -0.893 1.899) 5.433 2.513 ( -7.325 -3.409 -2.911) 8.588 2.591 ( 7.232 2.922 -4.076) 8.801 2.681 ( 4.208 0.963 0.958) 4.421 2.763 ( 5.295 -1.534 6.694) 8.671 2.953 ( 0.540 1.270 -5.425) 5.597 3.185 ( -1.027 9.233 1.503) 9.410 3.197 ( 3.498 -4.210 -0.008) 5.473 3.537 ( 4.006 6.634 5.873) 9.724 3.651 ( 6.149 -2.824 3.307) 7.532 3.744 ( 9.332 -2.411 -2.589) 9.980 3.908 ( 4.661 1.735 -7.726) 9.189 4.039 ( -0.522 -1.230 5.304) 5.470 4.079 ( 4.195 3.344 0.888) 5.438 4.542 ( 3.994 0.396 -0.892) 4.111 4.611 ( 2.680 4.391 -0.733) 5.196 4.810 ( -1.642 -0.396 -2.623) 3.120 4.967 ( -0.313 0.703 -0.012) 0.770 5.396 ( 3.745 -1.019 3.629) 5.313 5.547 ( 1.511 -0.963 -2.853) 3.369 5.959 ( 2.032 -4.229 0.822) 4.763 6.011 ( 0.430 -2.153 0.659) 2.292 8.026 ( -20.028 0.119 -0.308) 20.031 8.047 ( -18.742 0.927 -0.139) 18.765 8.227 ( 1.436 -0.617 -0.018) 1.563 8.262 ( 0.130 -0.241 0.273) 0.386 8.963 ( 2.733 -0.281 -0.457) 2.785 9.142 ( 3.003 0.201 1.616) 3.416 9.173 ( 9.923 0.309 -0.839) 9.963 9.215 ( 12.968 1.123 -0.133) 13.017 9.846 ( -4.526 -1.634 -0.404) 4.828 9.967 ( -6.933 1.421 1.548) 7.244 10.170 ( 2.491 -1.022 -0.929) 2.848 10.388 ( -0.604 2.688 -4.733) 5.476 10.610 ( -0.090 -6.432 4.024) 7.588 11.058 ( 0.880 0.096 2.980) 3.109 11.124 ( 1.371 1.007 -2.494) 3.019 11.432 ( -2.789 0.307 -1.033) 2.990 ======================= Grid point 110 (46/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -2.299 -0.673 -0.786) 2.521 0.873 ( -3.412 -3.935 -1.410) 5.396 1.068 ( 7.189 -3.039 -0.846) 7.850 1.243 ( 0.475 2.426 0.705) 2.571 1.298 ( 0.438 1.581 0.776) 1.815 1.389 ( -4.415 2.421 -1.303) 5.202 1.471 ( -3.568 -0.439 -0.295) 3.607 1.580 ( 2.534 -0.928 3.774) 4.640 1.621 ( 1.722 -2.227 -2.933) 4.066 1.777 ( -5.846 -0.706 4.378) 7.337 1.839 ( -1.212 0.374 -5.349) 5.497 1.966 ( 0.146 -1.516 0.054) 1.524 2.021 ( 0.801 0.515 -3.068) 3.212 2.070 ( 5.070 1.025 1.097) 5.288 2.166 ( -2.856 2.785 4.352) 5.904 2.261 ( -2.362 1.658 -1.532) 3.267 2.454 ( 6.611 1.494 -1.963) 7.056 2.486 ( -5.480 -2.484 0.521) 6.040 2.599 ( -4.428 -4.129 -0.541) 6.078 2.627 ( 1.281 -1.837 0.962) 2.438 2.723 ( -0.499 0.848 0.135) 0.993 2.935 ( 1.546 -2.401 -1.711) 3.329 3.132 ( 1.070 0.303 1.139) 1.592 3.291 ( -1.508 7.340 1.638) 7.670 3.470 ( 7.702 -6.154 1.186) 9.930 3.561 ( 2.559 -1.715 -0.565) 3.132 3.598 ( 3.911 7.592 2.046) 8.782 3.845 ( 0.719 2.755 -4.898) 5.665 4.046 ( 2.798 3.047 0.537) 4.171 4.080 ( -1.623 -0.756 3.958) 4.344 4.470 ( 2.672 -2.653 -0.452) 3.792 4.610 ( 1.412 3.809 0.248) 4.070 4.846 ( -4.148 -0.897 -1.467) 4.490 4.944 ( 2.355 -1.696 -0.492) 2.944 5.307 ( 5.194 -2.227 0.021) 5.651 5.553 ( -2.307 1.827 0.221) 2.951 5.904 ( 0.486 -2.964 -0.243) 3.014 6.008 ( -0.519 0.170 0.254) 0.602 8.194 ( 0.189 0.171 0.078) 0.266 8.229 ( -0.684 1.387 0.233) 1.563 8.360 ( -13.753 -0.450 -0.092) 13.761 8.392 ( -12.470 -0.347 0.077) 12.475 8.864 ( 9.840 0.771 -0.122) 9.871 8.976 ( 10.836 0.550 0.305) 10.855 8.994 ( 2.254 -1.862 -0.571) 2.979 9.165 ( 0.815 1.033 0.450) 1.391 9.898 ( -2.934 -0.942 -0.277) 3.094 10.050 ( 3.424 0.827 0.552) 3.565 10.165 ( -6.429 0.291 0.743) 6.479 10.408 ( -1.580 2.309 -3.007) 4.108 10.577 ( 0.566 -4.510 2.051) 4.987 11.048 ( 0.397 -2.360 2.507) 3.466 11.113 ( 1.515 4.942 -2.530) 5.755 11.463 ( -1.340 -1.097 -0.081) 1.734 ======================= Grid point 111 (47/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -2.953 -0.747 -0.000) 3.046 0.831 ( 2.886 -7.335 -0.000) 7.883 0.956 ( 3.551 -0.103 -0.000) 3.552 1.244 ( -0.255 -0.180 -0.000) 0.312 1.301 ( 1.991 2.773 0.000) 3.414 1.438 ( -0.314 1.510 0.000) 1.542 1.511 ( 3.800 -0.791 -0.000) 3.881 1.531 ( 5.076 -1.738 -0.000) 5.365 1.570 ( -5.760 -1.651 -0.000) 5.992 1.640 ( 11.999 -4.609 -0.000) 12.854 1.939 ( -0.447 1.688 0.000) 1.746 1.977 ( 7.463 0.915 -0.000) 7.519 2.012 ( -6.680 2.073 0.000) 6.994 2.034 ( -2.358 1.222 0.000) 2.656 2.248 ( 2.374 -1.096 -0.000) 2.614 2.302 ( -5.455 4.826 0.000) 7.284 2.393 ( -0.496 1.686 0.000) 1.758 2.517 ( -1.132 -2.091 -0.000) 2.378 2.556 ( 4.969 -5.200 -0.000) 7.193 2.670 ( 3.135 1.843 0.000) 3.636 2.701 ( -3.375 0.044 0.000) 3.375 2.840 ( 0.860 -7.607 -0.000) 7.655 3.152 ( 0.245 3.432 0.000) 3.440 3.310 ( 3.537 -5.770 -0.000) 6.768 3.388 ( -2.484 4.539 0.000) 5.174 3.615 ( -11.060 -1.036 0.000) 11.108 3.649 ( -0.814 6.954 0.000) 7.002 3.861 ( -1.288 1.265 0.000) 1.806 4.042 ( 1.289 5.034 0.000) 5.196 4.110 ( -1.121 -1.417 -0.000) 1.806 4.399 ( 1.135 -5.472 -0.000) 5.589 4.622 ( 0.204 2.250 0.000) 2.259 4.871 ( 2.557 -2.666 -0.000) 3.694 4.916 ( -4.219 -0.672 0.000) 4.272 5.208 ( 3.076 -1.664 -0.000) 3.497 5.636 ( -4.321 2.216 0.000) 4.856 5.894 ( -1.480 -1.444 -0.000) 2.067 6.027 ( -0.700 1.055 0.000) 1.266 8.207 ( -1.525 0.281 0.000) 1.551 8.244 ( 0.280 1.310 0.000) 1.339 8.362 ( 14.685 -1.078 -0.000) 14.725 8.373 ( 12.439 -0.021 -0.000) 12.439 8.863 ( -9.704 0.678 0.000) 9.728 8.976 ( -10.838 0.230 0.000) 10.841 8.998 ( -3.059 -1.642 -0.000) 3.472 9.149 ( 1.909 0.715 0.000) 2.039 9.934 ( -1.721 0.055 0.000) 1.722 9.957 ( 6.081 -0.347 -0.000) 6.091 10.313 ( -6.872 2.346 0.000) 7.261 10.451 ( -2.216 2.238 0.000) 3.150 10.532 ( 1.398 -3.322 -0.000) 3.604 11.044 ( -1.549 -2.428 -0.000) 2.880 11.117 ( 2.557 6.203 0.000) 6.709 11.457 ( 0.226 -2.730 -0.000) 2.740 ======================= Grid point 114 (48/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 8.896 0.000 9.156) 12.766 0.673 ( 11.194 -0.000 -1.133) 11.251 0.832 ( 0.011 -0.000 -3.078) 3.078 1.094 ( 5.437 -0.000 -4.369) 6.975 1.217 ( 11.621 0.000 3.667) 12.186 1.295 ( 3.722 0.000 2.434) 4.447 1.373 ( 2.510 0.000 0.919) 2.673 1.402 ( 3.620 0.000 2.376) 4.330 1.516 ( -4.994 0.000 6.848) 8.476 1.571 ( 6.909 0.000 4.270) 8.122 1.707 ( 5.186 0.000 3.448) 6.228 1.794 ( 15.747 0.000 13.040) 20.445 2.081 ( 0.944 -0.000 -8.089) 8.144 2.095 ( 1.121 -0.000 -1.438) 1.823 2.147 ( 0.690 -0.000 -3.045) 3.122 2.280 ( 2.440 0.000 3.806) 4.521 2.316 ( 1.245 0.000 0.174) 1.257 2.488 ( -1.927 -0.000 -2.293) 2.995 2.726 ( -8.516 -0.000 -6.672) 10.818 2.771 ( -8.927 0.000 2.608) 9.300 2.878 ( -2.652 0.000 1.137) 2.885 2.985 ( -7.700 -0.000 -8.087) 11.167 3.129 ( -3.354 0.000 0.556) 3.400 3.263 ( -2.397 0.000 0.861) 2.547 3.483 ( -1.582 -0.000 -1.348) 2.079 3.772 ( 3.417 -0.000 -15.766) 16.132 3.870 ( -1.816 0.000 5.844) 6.120 3.909 ( -1.376 0.000 5.464) 5.635 4.088 ( -9.534 0.000 -0.672) 9.558 4.216 ( -3.070 -0.000 -0.724) 3.154 4.422 ( -4.726 0.000 2.881) 5.535 4.640 ( -2.506 -0.000 -3.206) 4.069 4.838 ( -0.671 -0.000 -0.989) 1.196 4.927 ( 0.084 -0.000 -1.661) 1.663 5.346 ( -3.189 0.000 6.319) 7.078 5.739 ( -2.424 -0.000 -4.488) 5.101 6.029 ( -2.571 0.000 5.606) 6.167 6.145 ( -4.702 0.000 5.078) 6.920 7.658 ( 17.962 -0.000 0.335) 17.965 7.724 ( 17.436 -0.000 -1.181) 17.476 8.283 ( -1.284 -0.000 -0.241) 1.306 8.315 ( -3.995 -0.000 -0.936) 4.103 9.070 ( -1.586 0.000 -0.188) 1.597 9.093 ( -0.948 -0.000 -0.912) 1.316 9.275 ( -7.500 0.000 2.839) 8.020 9.425 ( -10.229 -0.000 -1.516) 10.341 9.722 ( 8.009 0.000 2.402) 8.362 9.933 ( 1.487 -0.000 -3.210) 3.538 10.290 ( 4.662 -0.000 -6.272) 7.814 10.384 ( -2.677 -0.000 -7.396) 7.865 10.757 ( -3.059 0.000 8.597) 9.125 11.011 ( -0.479 -0.000 -2.046) 2.102 11.215 ( 0.489 0.000 2.965) 3.005 11.343 ( 1.578 -0.000 -2.393) 2.867 ======================= Grid point 116 (49/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -0.000 4.198 14.697) 15.285 0.685 ( -0.000 3.482 15.205) 15.598 0.879 ( -0.000 5.733 6.393) 8.587 0.895 ( 0.000 -0.508 -1.087) 1.200 1.028 ( -0.000 5.977 -3.567) 6.961 1.168 ( 0.000 3.097 -8.010) 8.588 1.255 ( -0.000 3.523 4.828) 5.976 1.314 ( -0.000 3.160 2.140) 3.816 1.609 ( -0.000 -1.429 4.022) 4.269 1.624 ( -0.000 -0.808 6.731) 6.779 1.684 ( 0.000 -1.217 -1.509) 1.939 1.797 ( 0.000 -0.112 -1.402) 1.406 1.855 ( 0.000 -1.110 -9.263) 9.330 1.946 ( -0.000 2.954 19.402) 19.625 1.994 ( 0.000 -0.577 -9.085) 9.103 2.346 ( -0.000 -0.047 3.012) 3.013 2.407 ( -0.000 -0.017 1.184) 1.184 2.603 ( -0.000 6.855 7.636) 10.262 2.650 ( 0.000 -7.232 -17.764) 19.180 2.925 ( 0.000 -3.053 1.652) 3.471 2.956 ( 0.000 -0.958 -10.057) 10.103 2.997 ( -0.000 5.752 -3.800) 6.894 3.207 ( -0.000 -2.738 4.743) 5.476 3.409 ( 0.000 -4.759 -6.768) 8.273 3.502 ( -0.000 9.991 3.671) 10.644 3.650 ( -0.000 7.217 -5.137) 8.858 4.021 ( -0.000 -1.756 6.628) 6.856 4.021 ( -0.000 1.062 7.207) 7.285 4.208 ( 0.000 -3.376 -3.157) 4.622 4.231 ( 0.000 0.449 -4.540) 4.562 4.613 ( -0.000 4.499 1.071) 4.624 4.715 ( 0.000 3.988 -5.279) 6.616 4.839 ( -0.000 0.885 3.115) 3.238 4.937 ( 0.000 0.137 -2.295) 2.299 5.459 ( -0.000 -0.418 7.143) 7.156 5.703 ( 0.000 -2.028 -6.338) 6.655 6.119 ( -0.000 -3.665 7.393) 8.252 6.285 ( 0.000 -8.264 -1.147) 8.343 7.298 ( 0.000 -0.551 0.618) 0.828 7.345 ( 0.000 -0.879 -1.992) 2.177 8.325 ( -0.000 -1.232 1.697) 2.097 8.379 ( 0.000 -1.365 -1.354) 1.923 9.082 ( -0.000 1.005 1.805) 2.066 9.160 ( 0.000 0.894 -2.806) 2.945 9.486 ( -0.000 3.214 2.163) 3.873 9.554 ( -0.000 -0.309 5.956) 5.964 9.589 ( 0.000 0.844 -2.709) 2.837 9.797 ( 0.000 -2.158 -7.502) 7.807 10.146 ( -0.000 1.937 5.364) 5.704 10.370 ( 0.000 2.617 -8.071) 8.485 10.787 ( 0.000 -8.900 10.930) 14.095 11.059 ( 0.000 -2.765 -5.989) 6.597 11.178 ( -0.000 4.273 3.013) 5.229 11.273 ( 0.000 -0.306 -2.347) 2.367 ======================= Grid point 117 (50/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.305 2.391 10.109) 10.392 0.828 ( 1.726 3.328 -1.724) 4.127 0.851 ( -1.354 7.334 6.038) 9.596 0.998 ( -4.932 3.550 -1.250) 6.204 1.083 ( -4.624 3.765 -2.291) 6.388 1.248 ( -8.052 1.984 -2.330) 8.614 1.367 ( -4.324 4.723 3.701) 7.396 1.387 ( -2.317 2.469 1.368) 3.652 1.601 ( 0.403 -1.236 0.822) 1.538 1.641 ( 0.306 -0.384 1.707) 1.777 1.681 ( -3.093 -1.392 8.144) 8.822 1.819 ( -2.258 -3.046 -6.117) 7.197 1.870 ( -4.762 -1.098 -3.366) 5.934 1.947 ( -2.633 -2.549 -8.365) 9.133 2.086 ( -3.350 1.736 15.662) 16.110 2.350 ( 1.263 -0.260 2.837) 3.116 2.390 ( 1.862 -0.381 0.060) 1.901 2.492 ( 1.203 -4.013 -16.292) 16.822 2.691 ( 2.820 7.421 6.826) 10.470 2.875 ( 3.105 -3.283 -1.592) 4.791 2.889 ( 2.017 -0.522 0.194) 2.093 3.015 ( 1.194 8.117 -5.861) 10.082 3.159 ( 5.192 -2.788 2.329) 6.337 3.348 ( -0.232 -3.424 -4.636) 5.768 3.564 ( 4.119 9.350 4.145) 11.026 3.693 ( 0.168 7.064 -2.990) 7.673 4.013 ( 2.675 -2.533 6.414) 7.397 4.052 ( 2.034 1.157 5.411) 5.896 4.132 ( 2.611 -3.768 -3.274) 5.633 4.186 ( 2.676 0.819 -4.836) 5.587 4.624 ( 3.314 5.026 0.771) 6.070 4.683 ( 3.756 3.508 -4.256) 6.673 4.852 ( 1.523 0.321 1.088) 1.899 4.920 ( 0.296 0.978 -1.536) 1.845 5.487 ( 0.743 -0.763 7.176) 7.254 5.642 ( 0.854 -2.364 -6.522) 6.989 6.104 ( 1.376 -5.211 5.410) 7.636 6.177 ( 2.986 -7.367 -0.499) 7.965 7.404 ( -11.535 -0.376 0.520) 11.552 7.432 ( -11.353 -0.538 -1.368) 11.448 8.308 ( 1.606 -1.040 1.199) 2.258 8.339 ( 2.061 -1.316 -1.206) 2.726 9.077 ( 2.737 0.414 0.612) 2.835 9.137 ( 0.983 1.089 -0.843) 1.692 9.474 ( 4.924 2.207 2.037) 5.768 9.536 ( 4.886 1.190 -2.666) 5.692 9.650 ( -5.993 -0.509 4.854) 7.729 9.771 ( -3.612 -2.170 -6.022) 7.350 10.204 ( -0.566 1.680 4.164) 4.526 10.347 ( 0.612 3.234 -7.142) 7.864 10.757 ( 1.395 -8.293 8.017) 11.619 11.017 ( -2.118 -2.179 -4.415) 5.360 11.214 ( 1.170 0.291 1.759) 2.133 11.289 ( -2.824 1.657 -1.812) 3.742 ======================= Grid point 118 (51/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -1.256 0.578 2.715) 3.047 0.782 ( -0.131 1.803 -3.582) 4.012 1.034 ( -3.746 10.190 5.621) 12.226 1.098 ( -4.079 6.629 -4.608) 9.045 1.223 ( -8.381 -0.358 0.408) 8.399 1.344 ( -0.463 -0.436 0.215) 0.671 1.400 ( 0.352 -2.881 0.733) 2.993 1.494 ( -4.780 4.636 0.423) 6.672 1.615 ( 0.172 -1.421 0.443) 1.499 1.703 ( -2.692 2.167 4.159) 5.407 1.755 ( -0.405 -0.852 -3.124) 3.264 1.817 ( -9.287 -3.327 4.284) 10.755 1.923 ( -5.293 -4.367 -6.987) 9.793 1.964 ( -7.311 -2.104 -0.580) 7.629 2.248 ( -1.825 -1.539 8.416) 8.748 2.308 ( 4.988 0.294 0.940) 5.084 2.345 ( -1.471 -1.913 -1.511) 2.847 2.401 ( -1.726 -1.030 -8.110) 8.355 2.665 ( 6.243 3.852 -0.863) 7.386 2.777 ( 4.800 -1.781 0.551) 5.149 2.877 ( 3.061 3.040 5.698) 7.147 2.990 ( 7.178 0.647 -4.200) 8.341 3.093 ( -0.207 7.835 -0.110) 7.838 3.286 ( 2.173 -4.142 -1.352) 4.869 3.579 ( 4.994 9.061 3.682) 10.982 3.712 ( 1.925 4.529 -1.616) 5.180 3.918 ( 7.434 -3.869 0.570) 8.400 3.989 ( 5.884 -1.849 -0.827) 6.223 4.077 ( 0.963 -1.522 2.665) 3.216 4.123 ( 3.521 2.875 -1.764) 4.876 4.599 ( 4.342 3.439 0.342) 5.550 4.622 ( 3.721 4.261 -2.013) 6.004 4.810 ( 1.847 -0.965 -0.617) 2.173 4.939 ( -1.049 1.956 -0.146) 2.224 5.488 ( 2.400 -1.563 5.527) 6.225 5.568 ( 1.640 -1.584 -5.118) 5.603 6.048 ( 2.235 -5.187 2.548) 6.197 6.068 ( 2.403 -5.447 -0.764) 6.003 7.675 ( -18.527 -0.363 -0.069) 18.531 7.700 ( -18.336 0.541 -0.268) 18.346 8.267 ( 2.307 -0.705 0.055) 2.413 8.289 ( 1.996 -0.536 -0.143) 2.072 9.017 ( 3.414 -0.380 -0.124) 3.438 9.141 ( -0.191 1.086 0.331) 1.151 9.366 ( 9.540 0.711 0.668) 9.590 9.409 ( 9.661 1.560 -0.938) 9.831 9.770 ( -5.752 -1.726 1.276) 6.139 9.833 ( -7.112 -0.212 -1.526) 7.277 10.216 ( 2.140 0.745 1.238) 2.582 10.338 ( -0.101 3.001 -3.452) 4.575 10.693 ( 0.769 -8.119 2.850) 8.639 11.040 ( -2.097 0.795 -0.818) 2.387 11.173 ( 2.904 -1.706 0.534) 3.410 11.358 ( -3.714 1.603 -0.875) 4.139 ======================= Grid point 119 (52/125) ======================= q-point: (-0.22 -0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -1.690 -0.276 0.000) 1.713 0.820 ( -3.757 -0.991 -0.000) 3.886 1.192 ( -2.426 7.261 0.000) 7.656 1.195 ( 1.905 5.337 0.000) 5.667 1.269 ( -2.261 -2.931 -0.000) 3.702 1.316 ( 1.396 -1.246 -0.000) 1.872 1.414 ( -5.227 -2.453 -0.000) 5.774 1.603 ( -2.959 1.726 0.000) 3.426 1.642 ( -5.132 -3.280 -0.000) 6.090 1.654 ( 2.738 1.571 0.000) 3.157 1.806 ( -1.722 1.766 0.000) 2.467 1.956 ( -4.355 -3.452 -0.000) 5.557 2.008 ( -4.783 1.067 0.000) 4.901 2.086 ( -6.474 -3.629 -0.000) 7.422 2.200 ( 5.928 -0.359 -0.000) 5.939 2.208 ( -0.026 0.473 0.000) 0.474 2.377 ( -3.345 -0.781 -0.000) 3.435 2.489 ( -9.278 -5.026 -0.000) 10.552 2.571 ( 7.259 4.891 0.000) 8.753 2.687 ( 4.583 0.483 -0.000) 4.609 2.810 ( 7.244 -4.016 -0.000) 8.283 2.914 ( -0.881 3.600 0.000) 3.706 3.195 ( 3.168 -4.090 -0.000) 5.173 3.196 ( -1.166 10.303 0.000) 10.369 3.577 ( 4.292 6.720 0.000) 7.974 3.673 ( 5.164 -0.204 -0.000) 5.168 3.722 ( 10.533 -2.881 -0.000) 10.920 3.860 ( 5.323 0.429 -0.000) 5.340 4.073 ( -0.686 -0.841 -0.000) 1.085 4.082 ( 3.694 3.074 0.000) 4.806 4.537 ( 3.901 0.228 -0.000) 3.908 4.607 ( 2.496 5.007 0.000) 5.595 4.795 ( -1.722 -1.236 -0.000) 2.120 4.967 ( -0.220 0.761 0.000) 0.793 5.419 ( 4.594 -2.670 -0.000) 5.313 5.529 ( 0.595 0.457 0.000) 0.750 5.963 ( 2.335 -4.799 -0.000) 5.337 6.015 ( 0.473 -1.951 -0.000) 2.007 8.024 ( -20.011 0.043 0.000) 20.012 8.046 ( -18.684 1.170 0.000) 18.720 8.227 ( 1.318 -0.580 -0.000) 1.440 8.264 ( 0.070 -0.164 -0.000) 0.178 8.960 ( 2.691 -0.357 -0.000) 2.715 9.154 ( 0.737 0.977 0.000) 1.224 9.166 ( 12.608 -0.632 -0.000) 12.623 9.214 ( 12.556 1.345 -0.000) 12.628 9.844 ( -4.396 -1.812 -0.000) 4.755 9.976 ( -7.761 1.540 0.000) 7.912 10.166 ( 3.299 -0.567 -0.000) 3.347 10.361 ( -0.747 2.546 0.000) 2.653 10.632 ( -0.036 -6.677 -0.000) 6.677 11.080 ( -0.195 3.575 0.000) 3.580 11.105 ( 2.438 -2.491 -0.000) 3.485 11.426 ( -2.946 0.517 0.000) 2.991 ======================= Grid point 124 (53/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 4.209 0.098 -0.736) 4.274 0.814 ( 6.569 -3.861 3.282) 8.297 0.859 ( 4.912 -0.482 0.310) 4.945 1.177 ( 5.579 -0.207 -5.641) 7.936 1.312 ( -1.058 0.199 2.903) 3.096 1.376 ( 5.515 2.067 2.126) 6.262 1.458 ( 0.516 -0.194 0.447) 0.710 1.464 ( 4.628 -2.888 1.888) 5.773 1.500 ( 1.992 -1.064 5.490) 5.937 1.735 ( 6.196 -0.630 3.242) 7.021 1.804 ( 3.676 1.252 1.756) 4.262 2.045 ( 1.570 1.545 -4.395) 4.916 2.064 ( -0.905 1.295 5.141) 5.378 2.104 ( -3.173 0.792 -0.460) 3.302 2.186 ( 10.914 -0.091 7.178) 13.063 2.301 ( -3.476 0.344 -7.163) 7.969 2.369 ( 5.597 0.390 1.482) 5.803 2.459 ( 3.068 -1.467 -1.676) 3.791 2.577 ( -5.009 -0.684 2.506) 5.643 2.699 ( -0.410 0.996 4.730) 4.851 2.776 ( -9.116 1.306 -6.742) 11.414 2.870 ( -1.382 -5.088 0.644) 5.311 3.049 ( -3.316 1.828 -3.273) 5.005 3.232 ( -3.703 -4.126 -0.599) 5.576 3.440 ( -0.810 3.304 -1.546) 3.737 3.724 ( 0.001 2.364 -9.097) 9.399 3.825 ( -6.868 -2.102 -0.273) 7.188 3.893 ( -7.631 0.239 -0.780) 7.675 3.950 ( -1.272 -2.274 3.971) 4.750 4.121 ( -3.571 3.539 -2.403) 5.572 4.401 ( -1.668 -3.813 3.321) 5.325 4.590 ( -0.994 -0.085 -3.664) 3.798 4.837 ( 0.997 0.122 0.857) 1.320 4.938 ( 1.771 -0.516 -1.637) 2.467 5.326 ( -3.202 -0.250 8.201) 8.807 5.655 ( -3.569 0.997 -5.154) 6.348 5.996 ( -3.672 0.369 4.353) 5.707 6.086 ( -3.429 1.162 1.398) 3.881 8.003 ( 19.092 -0.513 -0.078) 19.099 8.048 ( 18.739 -0.030 -1.497) 18.799 8.251 ( -1.654 0.501 -0.215) 1.742 8.262 ( -0.508 -0.202 -0.413) 0.685 9.021 ( -2.925 2.695 0.212) 3.983 9.086 ( -3.449 -3.030 -0.180) 4.594 9.141 ( -6.655 0.009 1.507) 6.824 9.206 ( -13.323 -0.098 -1.015) 13.362 9.864 ( 6.567 -0.057 1.906) 6.838 9.944 ( 1.171 0.239 -0.921) 1.509 10.280 ( -1.462 2.901 -5.130) 6.072 10.344 ( 1.701 -3.038 -6.425) 7.307 10.726 ( -3.970 2.557 8.350) 9.593 10.987 ( -1.675 -1.662 -2.633) 3.536 11.220 ( 0.755 4.562 2.961) 5.491 11.379 ( 1.915 -3.444 -2.249) 4.538 ======================= Grid point 125 (54/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 6.304 0.000 1.365) 6.450 0.706 ( 6.774 0.000 8.373) 10.770 0.802 ( 0.394 -0.000 -1.547) 1.597 1.032 ( 5.703 -0.000 -7.023) 9.047 1.258 ( 10.242 0.000 3.654) 10.874 1.314 ( 3.577 0.000 0.887) 3.686 1.390 ( 4.236 0.000 2.219) 4.782 1.420 ( 3.537 0.000 1.065) 3.693 1.581 ( -4.730 0.000 5.117) 6.968 1.609 ( 5.042 0.000 2.797) 5.766 1.757 ( 5.097 0.000 5.660) 7.617 1.964 ( 11.312 0.000 14.225) 18.175 1.991 ( 4.148 -0.000 -5.332) 6.756 2.068 ( 6.314 -0.000 -2.970) 6.977 2.113 ( 2.841 -0.000 -2.516) 3.795 2.326 ( 0.230 0.000 1.471) 1.489 2.333 ( -2.761 0.000 4.895) 5.620 2.463 ( -4.825 -0.000 -2.731) 5.545 2.639 ( -2.539 -0.000 -8.098) 8.486 2.803 ( -7.260 0.000 3.135) 7.908 2.866 ( -3.495 -0.000 -9.532) 10.153 2.888 ( -5.036 -0.000 -3.446) 6.102 3.157 ( -5.524 0.000 4.687) 7.244 3.274 ( -3.751 0.000 1.055) 3.897 3.466 ( -1.120 -0.000 -1.742) 2.071 3.610 ( 2.724 -0.000 -13.907) 14.171 3.940 ( -4.116 0.000 6.757) 7.912 3.971 ( -1.740 0.000 6.238) 6.476 4.075 ( -8.311 -0.000 -1.714) 8.486 4.184 ( -3.555 -0.000 -4.837) 6.003 4.457 ( -4.060 0.000 3.782) 5.549 4.599 ( -2.646 -0.000 -4.249) 5.005 4.837 ( -0.130 0.000 0.823) 0.834 4.905 ( 0.030 -0.000 -2.309) 2.309 5.425 ( -2.555 0.000 8.256) 8.642 5.681 ( -2.372 -0.000 -6.300) 6.732 6.092 ( -3.480 0.000 5.862) 6.817 6.183 ( -5.653 0.000 1.802) 5.933 7.664 ( 17.883 -0.000 0.743) 17.898 7.708 ( 17.534 -0.000 -1.637) 17.611 8.282 ( -1.870 0.000 0.109) 1.873 8.304 ( -3.686 -0.000 -1.055) 3.834 9.069 ( -1.162 0.000 0.036) 1.163 9.084 ( -0.977 -0.000 -0.824) 1.278 9.309 ( -7.958 0.000 3.302) 8.616 9.405 ( -9.747 -0.000 -2.261) 10.006 9.754 ( 7.306 0.000 3.510) 8.105 9.893 ( 3.181 -0.000 -4.221) 5.286 10.240 ( 3.372 -0.000 -2.879) 4.434 10.311 ( -1.849 -0.000 -6.017) 6.295 10.844 ( -2.779 0.000 7.540) 8.036 10.993 ( -1.426 -0.000 -1.826) 2.317 11.239 ( 1.464 0.000 1.723) 2.261 11.314 ( 1.712 -0.000 -2.910) 3.377 ======================= Grid point 127 (55/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -0.000 4.256 11.842) 12.584 0.800 ( -0.000 5.570 1.208) 5.700 0.874 ( -0.000 -2.823 1.350) 3.129 0.910 ( -0.000 1.247 -0.864) 1.517 1.021 ( -0.000 5.449 2.561) 6.021 1.080 ( -0.000 3.124 -7.802) 8.404 1.302 ( -0.000 4.249 3.520) 5.517 1.324 ( -0.000 3.712 -0.457) 3.740 1.639 ( -0.000 -1.118 2.666) 2.891 1.665 ( 0.000 -1.081 -2.147) 2.403 1.700 ( -0.000 -1.148 6.114) 6.220 1.766 ( -0.000 -1.022 -7.091) 7.165 1.811 ( 0.000 -1.466 4.983) 5.194 1.894 ( -0.000 -1.753 -9.278) 9.442 2.179 ( 0.000 -0.280 23.207) 23.209 2.375 ( -0.000 -0.444 1.137) 1.221 2.403 ( -0.000 0.150 -1.553) 1.560 2.432 ( -0.000 -3.482 -21.066) 21.352 2.708 ( 0.000 6.909 11.379) 13.313 2.835 ( 0.000 4.697 -12.037) 12.921 2.946 ( -0.000 -1.986 2.093) 2.885 2.968 ( -0.000 0.598 -2.147) 2.229 3.265 ( -0.000 -3.879 5.968) 7.117 3.334 ( 0.000 -4.532 -6.932) 8.282 3.547 ( -0.000 9.935 4.552) 10.928 3.597 ( -0.000 9.421 -4.754) 10.553 4.093 ( 0.000 -1.805 6.635) 6.876 4.101 ( -0.000 0.210 7.305) 7.308 4.160 ( 0.000 -2.575 -5.649) 6.209 4.174 ( -0.000 0.231 -6.078) 6.083 4.631 ( -0.000 3.393 2.431) 4.174 4.665 ( -0.000 3.118 -4.010) 5.080 4.874 ( 0.000 0.584 3.307) 3.359 4.908 ( -0.000 0.357 -2.976) 2.997 5.542 ( -0.000 -1.052 8.108) 8.176 5.628 ( -0.000 -1.623 -7.678) 7.847 6.195 ( -0.000 -4.710 6.472) 8.005 6.254 ( -0.000 -6.110 -4.413) 7.537 7.308 ( -0.000 -0.502 1.234) 1.332 7.324 ( -0.000 -0.599 -1.810) 1.906 8.344 ( 0.000 -1.278 1.814) 2.219 8.363 ( 0.000 -1.306 -1.667) 2.118 9.104 ( -0.000 0.986 2.293) 2.496 9.130 ( -0.000 0.977 -2.661) 2.835 9.516 ( 0.000 1.823 3.243) 3.720 9.552 ( 0.000 1.038 -3.354) 3.511 9.630 ( 0.000 -0.792 7.411) 7.453 9.713 ( -0.000 -1.527 -7.926) 8.072 10.210 ( 0.000 2.229 6.603) 6.970 10.286 ( -0.000 2.494 -7.531) 7.934 10.895 ( 0.000 -6.824 9.256) 11.500 10.985 ( -0.000 -4.744 -7.665) 9.014 11.212 ( 0.000 2.941 3.150) 4.309 11.244 ( -0.000 1.333 -2.888) 3.181 ======================= Grid point 128 (56/125) ======================= q-point: (-0.33 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 3.588 -1.118 -0.000) 3.758 0.766 ( 2.831 3.817 0.000) 4.753 0.903 ( -3.122 9.729 0.000) 10.218 0.983 ( -1.055 5.960 0.000) 6.053 1.070 ( -7.670 -0.280 0.000) 7.675 1.234 ( -9.244 3.281 0.000) 9.809 1.389 ( -2.545 1.771 0.000) 3.101 1.395 ( -3.542 5.063 0.000) 6.179 1.608 ( -0.823 -1.613 -0.000) 1.811 1.649 ( 1.311 -0.574 -0.000) 1.432 1.758 ( -3.007 -1.664 -0.000) 3.436 1.760 ( -3.798 -1.430 -0.000) 4.058 1.865 ( -3.540 -4.586 -0.000) 5.793 1.871 ( -4.394 -2.181 -0.000) 4.906 2.237 ( -0.489 -1.392 -0.000) 1.475 2.340 ( -1.341 -1.535 -0.000) 2.038 2.373 ( 2.222 -0.005 -0.000) 2.222 2.383 ( 1.106 -0.340 -0.000) 1.157 2.739 ( 5.280 3.776 0.000) 6.491 2.843 ( 1.084 1.982 0.000) 2.259 2.932 ( 2.712 1.023 0.000) 2.898 2.958 ( 0.409 7.013 0.000) 7.025 3.175 ( 6.201 -3.758 -0.000) 7.251 3.318 ( -1.234 -2.779 -0.000) 3.041 3.594 ( 4.361 9.684 0.000) 10.620 3.668 ( 0.154 8.470 0.000) 8.472 4.061 ( 4.394 -3.396 -0.000) 5.553 4.089 ( 2.650 -2.699 -0.000) 3.783 4.120 ( 1.580 -0.488 -0.000) 1.654 4.135 ( 1.335 1.346 0.000) 1.896 4.639 ( 3.359 4.248 0.000) 5.416 4.648 ( 3.362 3.678 0.000) 4.983 4.861 ( 2.619 -0.301 -0.000) 2.637 4.909 ( -0.426 1.530 0.000) 1.588 5.560 ( 1.136 -2.059 -0.000) 2.351 5.573 ( 0.369 -1.257 -0.000) 1.310 6.150 ( 2.298 -6.255 -0.000) 6.664 6.157 ( 2.050 -6.486 -0.000) 6.802 7.409 ( -11.201 -0.746 0.000) 11.226 7.423 ( -11.689 -0.050 0.000) 11.689 8.318 ( 2.167 -1.215 -0.000) 2.485 8.329 ( 1.640 -1.117 -0.000) 1.984 9.081 ( 3.393 0.365 -0.000) 3.413 9.132 ( 0.187 1.317 0.000) 1.331 9.492 ( 5.155 1.013 0.000) 5.254 9.514 ( 4.483 2.014 0.000) 4.915 9.701 ( -4.289 -1.785 -0.000) 4.645 9.713 ( -5.357 -0.907 0.000) 5.433 10.243 ( 1.577 2.008 0.000) 2.553 10.291 ( -0.890 3.235 0.000) 3.355 10.808 ( 3.277 -8.239 -0.000) 8.867 10.985 ( -4.339 -2.771 -0.000) 5.148 11.225 ( 1.517 -0.027 -0.000) 1.517 11.278 ( -2.739 2.483 0.000) 3.697 ======================= Grid point 134 (57/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 2.196 1.519 -0.149) 2.674 0.917 ( 2.532 -2.321 -0.166) 3.439 1.022 ( 6.203 -2.166 7.145) 9.706 1.217 ( 2.322 1.230 -3.907) 4.708 1.306 ( -0.737 0.426 2.491) 2.632 1.398 ( 0.511 1.520 -1.809) 2.418 1.471 ( 1.582 1.084 1.697) 2.561 1.548 ( 1.902 -1.116 0.839) 2.359 1.637 ( 4.356 -2.236 1.786) 5.212 1.778 ( -0.834 -2.380 5.566) 6.110 1.883 ( 5.029 1.424 -2.242) 5.688 2.005 ( -3.704 0.895 -0.628) 3.862 2.021 ( -1.897 3.472 -0.489) 3.987 2.039 ( -3.843 0.146 -2.835) 4.778 2.210 ( -0.030 -0.504 -1.450) 1.535 2.254 ( 0.206 3.771 0.509) 3.810 2.476 ( -0.755 1.518 -0.771) 1.862 2.521 ( 1.747 -0.611 2.809) 3.364 2.598 ( 1.954 -2.779 0.809) 3.492 2.643 ( -0.456 0.390 3.015) 3.074 2.752 ( 2.822 2.561 3.069) 4.893 2.952 ( 3.361 -8.437 1.145) 9.153 2.974 ( -0.380 0.795 -5.373) 5.445 3.200 ( -3.207 -5.673 -1.806) 6.762 3.393 ( 0.750 4.718 -0.998) 4.880 3.644 ( -2.928 2.739 0.036) 4.010 3.663 ( -8.590 2.855 1.431) 9.164 3.786 ( -2.979 -4.420 -11.332) 12.523 3.987 ( 0.746 -0.833 2.186) 2.456 4.054 ( -0.349 1.127 0.470) 1.270 4.446 ( 1.134 -3.049 3.110) 4.501 4.568 ( 0.870 0.565 -3.205) 3.369 4.879 ( 3.108 0.570 1.326) 3.427 4.964 ( 0.787 -0.345 -0.627) 1.064 5.330 ( -1.270 0.127 6.745) 6.865 5.556 ( -2.877 0.875 -4.616) 5.509 5.953 ( -2.842 0.017 2.835) 4.014 6.023 ( -2.568 0.956 -0.820) 2.861 8.179 ( 0.572 -0.738 -0.479) 1.049 8.208 ( 0.652 0.093 -1.807) 1.923 8.373 ( 12.965 0.305 0.278) 12.971 8.387 ( 12.078 -0.404 0.500) 12.095 8.877 ( -9.445 1.353 0.623) 9.561 8.951 ( -10.370 -0.981 -0.756) 10.444 9.037 ( -2.808 0.355 1.543) 3.223 9.124 ( 0.265 -0.762 -1.291) 1.523 9.937 ( 0.884 1.044 0.237) 1.389 9.988 ( 2.740 -1.492 1.248) 3.360 10.204 ( -1.944 1.793 -1.420) 3.002 10.367 ( 1.861 -2.574 -6.759) 7.468 10.674 ( -3.749 3.091 7.465) 8.907 10.955 ( -2.508 -3.563 -3.365) 5.505 11.208 ( 1.625 6.220 2.113) 6.767 11.431 ( 1.477 -3.438 -1.057) 3.888 ======================= Grid point 135 (58/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 4.470 0.982 -1.163) 4.722 0.809 ( 5.210 -2.305 -1.932) 6.016 0.926 ( 7.102 -2.047 8.811) 11.500 1.106 ( 6.018 -1.038 -7.349) 9.555 1.344 ( -0.335 0.614 2.802) 2.888 1.384 ( 2.829 1.814 -0.498) 3.397 1.465 ( 1.619 -0.176 0.668) 1.760 1.481 ( 3.963 -2.175 1.009) 4.632 1.578 ( 1.313 -0.358 8.471) 8.580 1.737 ( 6.436 -1.125 -2.360) 6.947 1.839 ( 1.413 3.132 3.527) 4.924 1.984 ( 2.789 0.064 -5.270) 5.963 2.089 ( -1.626 2.045 -0.826) 2.740 2.115 ( -1.687 -0.857 1.339) 2.318 2.249 ( -1.013 2.659 2.042) 3.503 2.268 ( 0.951 1.203 3.041) 3.405 2.386 ( 7.130 0.004 1.902) 7.380 2.442 ( 5.321 -2.139 -1.484) 5.924 2.601 ( -1.977 -0.943 1.968) 2.945 2.693 ( -5.084 1.649 -7.137) 8.916 2.751 ( -0.802 -1.219 4.261) 4.504 2.853 ( -0.455 -4.185 -3.732) 5.626 3.050 ( -5.747 4.358 2.936) 7.787 3.227 ( -5.557 -6.643 -0.572) 8.680 3.424 ( 0.072 4.972 -1.160) 5.106 3.603 ( 1.601 -4.377 -10.455) 11.447 3.847 ( -8.481 1.091 2.809) 9.001 3.890 ( -10.122 1.471 -0.497) 10.240 3.994 ( -1.106 -1.683 4.191) 4.650 4.087 ( -3.016 0.884 -3.847) 4.967 4.443 ( -1.221 -2.077 4.444) 5.055 4.545 ( -0.855 -0.470 -4.574) 4.677 4.850 ( 1.659 1.231 1.474) 2.538 4.918 ( 1.937 -1.340 -1.980) 3.077 5.418 ( -3.134 0.224 8.713) 9.262 5.591 ( -3.337 0.705 -6.769) 7.580 6.041 ( -4.359 0.775 3.950) 5.933 6.092 ( -4.426 1.203 -0.427) 4.606 8.005 ( 18.442 -0.458 0.550) 18.456 8.030 ( 18.358 -0.168 -1.623) 18.430 8.249 ( -0.815 0.592 -0.175) 1.022 8.258 ( -0.310 -0.415 -0.220) 0.563 9.023 ( -2.550 3.157 0.140) 4.061 9.085 ( -1.981 -3.409 -0.100) 3.944 9.158 ( -9.374 -0.050 1.707) 9.529 9.193 ( -12.501 -0.088 -1.415) 12.581 9.886 ( 5.604 0.405 2.054) 5.982 9.933 ( 3.039 -0.311 -1.130) 3.257 10.237 ( -0.633 2.567 -2.902) 3.926 10.287 ( 0.867 -2.897 -3.989) 5.006 10.807 ( -3.573 3.588 6.504) 8.243 10.958 ( -2.567 -2.833 -2.900) 4.798 11.245 ( 1.023 5.173 1.663) 5.529 11.356 ( 2.257 -4.026 -1.830) 4.965 ======================= Grid point 136 (59/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 2.447 0.000 3.017) 3.885 0.731 ( 1.162 -0.000 -2.471) 2.730 0.848 ( 5.523 0.000 8.936) 10.506 0.946 ( 5.779 -0.000 -8.839) 10.561 1.292 ( 8.498 0.000 2.626) 8.895 1.312 ( 5.865 -0.000 -1.133) 5.974 1.414 ( 3.804 0.000 1.801) 4.209 1.424 ( 3.375 -0.000 -0.222) 3.383 1.623 ( -1.214 -0.000 2.481) 2.762 1.631 ( 2.514 0.000 0.972) 2.695 1.822 ( 4.516 0.000 6.322) 7.769 1.896 ( 3.778 0.000 -7.771) 8.641 2.046 ( 7.305 0.000 -0.680) 7.336 2.055 ( 7.173 -0.000 -1.520) 7.332 2.200 ( 3.752 0.000 18.313) 18.693 2.345 ( -0.715 -0.000 1.907) 2.037 2.359 ( -1.903 0.000 -0.159) 1.909 2.383 ( -3.459 -0.000 -13.822) 14.248 2.622 ( -0.721 0.000 6.404) 6.445 2.733 ( -3.587 -0.000 -12.620) 13.120 2.836 ( -5.862 0.000 3.073) 6.619 2.866 ( -4.415 -0.000 -2.428) 5.039 3.222 ( -5.899 -0.000 6.535) 8.804 3.273 ( -5.246 0.000 -2.196) 5.687 3.454 ( -0.099 0.000 0.065) 0.118 3.490 ( 1.509 -0.000 -7.604) 7.752 4.005 ( -5.976 -0.000 5.133) 7.878 4.043 ( -2.221 0.000 7.151) 7.488 4.049 ( -7.063 -0.000 -3.244) 7.773 4.120 ( -3.202 -0.000 -6.857) 7.568 4.502 ( -3.426 0.000 4.442) 5.610 4.551 ( -2.941 -0.000 -4.660) 5.511 4.853 ( -0.050 -0.000 2.094) 2.095 4.879 ( -0.032 0.000 -2.532) 2.532 5.517 ( -2.305 -0.000 8.617) 8.920 5.605 ( -2.300 0.000 -7.798) 8.130 6.148 ( -4.437 -0.000 4.467) 6.296 6.183 ( -5.291 -0.000 -1.757) 5.575 7.675 ( 17.795 0.000 1.255) 17.839 7.691 ( 17.679 -0.000 -1.642) 17.755 8.286 ( -2.570 0.000 0.551) 2.629 8.293 ( -3.206 -0.000 -0.905) 3.331 9.071 ( -0.978 0.000 0.329) 1.032 9.076 ( -0.957 -0.000 -0.605) 1.132 9.344 ( -8.551 0.000 3.275) 9.156 9.377 ( -9.170 -0.000 -2.887) 9.613 9.796 ( 6.288 -0.000 4.352) 7.648 9.845 ( 4.903 0.000 -4.652) 6.759 10.230 ( 1.248 0.000 0.985) 1.590 10.257 ( -0.572 0.000 -3.966) 4.007 10.916 ( -2.490 0.000 5.745) 6.262 10.966 ( -2.111 -0.000 -3.494) 4.082 11.258 ( 1.926 0.000 2.005) 2.780 11.283 ( 1.893 -0.000 -2.719) 3.313 ======================= Grid point 144 (60/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 1.320 1.237 1.865) 2.598 0.941 ( -1.644 -0.909 0.871) 2.071 1.116 ( 1.600 4.748 0.060) 5.011 1.219 ( 1.785 1.017 0.434) 2.100 1.303 ( -0.113 1.021 0.966) 1.410 1.384 ( -0.980 -0.970 -1.376) 1.948 1.507 ( 0.364 0.205 3.428) 3.453 1.552 ( -1.878 1.194 0.440) 2.269 1.677 ( 1.484 0.944 -0.692) 1.890 1.771 ( -6.112 0.428 1.201) 6.244 1.897 ( -5.774 0.690 -0.541) 5.840 1.962 ( 1.590 -1.050 0.489) 1.967 1.984 ( 2.737 -3.278 -0.510) 4.301 2.009 ( 4.053 4.987 -1.778) 6.668 2.191 ( -0.540 2.214 0.527) 2.339 2.280 ( 3.566 -1.467 -2.209) 4.444 2.379 ( -4.776 0.320 -1.694) 5.078 2.561 ( -9.052 -4.164 0.702) 9.988 2.616 ( 5.044 2.270 4.747) 7.289 2.689 ( 1.866 0.546 3.524) 4.025 2.731 ( -1.234 4.973 -1.114) 5.243 2.956 ( 1.270 -0.706 -4.789) 5.005 3.110 ( 3.215 -9.115 4.268) 10.566 3.195 ( 0.070 -0.893 -2.398) 2.560 3.400 ( 2.211 -0.339 -1.218) 2.547 3.522 ( -2.887 5.479 0.099) 6.193 3.650 ( 5.664 0.420 0.734) 5.727 3.753 ( 0.526 -5.666 -7.766) 9.627 3.998 ( 1.100 1.389 -0.756) 1.926 4.100 ( 3.605 -0.412 3.620) 5.126 4.514 ( 2.999 -0.166 2.438) 3.869 4.579 ( 2.797 0.935 -1.891) 3.504 4.926 ( 0.711 1.392 2.159) 2.665 4.962 ( 0.407 0.463 -0.815) 1.022 5.318 ( -0.888 3.538 0.643) 3.704 5.536 ( 1.912 -2.624 -0.422) 3.274 5.930 ( -1.081 -0.249 0.975) 1.477 5.981 ( -1.391 -0.930 -1.051) 1.976 8.191 ( 0.695 -0.777 0.126) 1.050 8.206 ( -0.166 -0.305 -0.863) 0.930 8.370 ( -13.492 -0.103 0.381) 13.498 8.385 ( -13.135 -0.031 -0.230) 13.137 8.874 ( 9.525 1.466 0.222) 9.639 8.964 ( 11.636 -0.670 -0.230) 11.657 9.040 ( 2.739 0.376 1.718) 3.255 9.118 ( -0.587 -0.739 -1.833) 2.062 9.929 ( -1.673 -0.035 1.370) 2.163 9.984 ( -3.344 0.511 -2.274) 4.076 10.211 ( 1.950 -1.212 4.092) 4.692 10.379 ( 0.632 -3.493 -6.706) 7.587 10.630 ( -1.854 3.367 5.901) 7.042 10.929 ( -2.054 -4.650 -3.658) 6.263 11.196 ( 1.800 6.158 1.228) 6.532 11.470 ( 0.270 -2.225 0.177) 2.248 ======================= Grid point 145 (61/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 3.483 2.006 -0.132) 4.022 0.914 ( 3.766 -1.959 -0.214) 4.250 1.095 ( 4.526 -0.920 5.906) 7.497 1.171 ( 3.888 -0.634 -4.535) 6.007 1.333 ( -0.990 1.466 2.169) 2.799 1.377 ( -0.006 0.911 -1.852) 2.064 1.490 ( 2.128 1.398 1.152) 2.795 1.556 ( 0.986 -2.755 0.509) 2.971 1.662 ( 2.492 2.011 2.268) 3.924 1.796 ( 1.760 -2.118 -1.805) 3.293 1.871 ( 5.912 3.380 0.405) 6.823 1.995 ( -1.631 -0.706 -0.664) 1.897 2.005 ( -5.539 1.181 -0.371) 5.675 2.050 ( -5.470 -1.110 1.429) 5.762 2.193 ( -0.255 1.522 -0.679) 1.686 2.245 ( -0.602 2.688 -1.851) 3.319 2.458 ( -2.143 2.024 -0.970) 3.103 2.559 ( 5.930 -0.339 2.229) 6.344 2.613 ( 1.014 -1.476 2.218) 2.851 2.660 ( 2.454 -0.519 -0.518) 2.561 2.795 ( -0.926 3.613 4.554) 5.886 2.882 ( 2.981 -1.655 -6.310) 7.172 2.999 ( 1.692 -5.359 2.178) 6.027 3.186 ( -4.911 -7.530 -0.700) 9.017 3.388 ( 1.417 5.162 -0.014) 5.353 3.625 ( 1.336 -2.350 -2.686) 3.811 3.676 ( -8.502 3.858 0.808) 9.371 3.707 ( -7.228 -1.383 -2.946) 7.927 4.002 ( -0.796 -0.072 0.667) 1.042 4.058 ( 0.659 -2.033 0.138) 2.142 4.485 ( 1.368 -1.357 4.101) 4.531 4.529 ( 1.280 -0.238 -3.995) 4.202 4.893 ( 3.645 1.630 0.873) 4.087 4.954 ( 1.093 -0.943 -0.760) 1.632 5.397 ( -3.166 2.187 4.948) 6.268 5.506 ( -1.422 -0.854 -4.076) 4.400 5.981 ( -3.325 0.914 2.187) 4.083 6.011 ( -2.965 0.438 -1.406) 3.311 8.179 ( 0.788 -0.662 0.480) 1.136 8.191 ( 0.966 -0.463 -1.367) 1.737 8.375 ( 12.607 0.434 0.096) 12.615 8.391 ( 12.029 -0.412 0.189) 12.037 8.882 ( -9.292 1.709 0.288) 9.452 8.945 ( -10.674 -1.292 -0.320) 10.756 9.051 ( -2.006 1.292 0.808) 2.519 9.112 ( -0.577 -1.748 -0.729) 1.980 9.939 ( 1.515 1.424 0.132) 2.083 9.997 ( 1.185 -1.900 0.477) 2.290 10.201 ( 0.665 2.089 0.448) 2.237 10.308 ( 0.847 -3.047 -3.498) 4.716 10.737 ( -3.310 4.414 3.680) 6.632 10.923 ( -3.396 -4.982 -2.123) 6.392 11.224 ( 1.683 6.619 0.739) 6.869 11.423 ( 1.882 -3.804 -0.450) 4.268 ======================= Grid point 146 (62/125) ======================= q-point: ( 0.44 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 4.108 1.213 0.000) 4.283 0.797 ( 5.887 -2.262 -0.000) 6.307 1.016 ( 6.048 -1.306 -0.000) 6.188 1.025 ( 7.234 -2.038 -0.000) 7.516 1.370 ( -0.107 1.078 0.000) 1.083 1.370 ( 1.851 1.057 0.000) 2.132 1.469 ( 1.878 0.288 -0.000) 1.899 1.486 ( 3.702 -2.315 -0.000) 4.366 1.648 ( 2.828 2.362 0.000) 3.684 1.703 ( 3.511 -3.850 -0.000) 5.211 1.861 ( 1.520 7.057 0.000) 7.219 1.952 ( 3.411 -3.584 -0.000) 4.948 2.082 ( -0.682 2.572 0.000) 2.661 2.116 ( -1.964 -1.836 -0.000) 2.688 2.263 ( -2.752 3.701 0.000) 4.612 2.293 ( -1.593 2.053 0.000) 2.598 2.402 ( 7.854 0.257 -0.000) 7.858 2.430 ( 5.766 -2.740 -0.000) 6.384 2.617 ( 0.217 1.775 0.000) 1.788 2.642 ( -3.045 -1.515 -0.000) 3.401 2.790 ( -0.746 -1.396 -0.000) 1.583 2.814 ( -0.689 -4.424 -0.000) 4.477 3.075 ( -5.888 7.339 0.000) 9.409 3.222 ( -6.740 -9.462 -0.000) 11.618 3.418 ( 1.094 6.825 0.000) 6.912 3.540 ( 1.192 -7.116 -0.000) 7.215 3.869 ( -9.289 2.502 0.000) 9.620 3.882 ( -10.242 0.765 0.000) 10.270 4.032 ( -2.160 0.123 0.000) 2.164 4.050 ( -1.766 -1.711 -0.000) 2.459 4.491 ( -0.839 -0.837 -0.000) 1.186 4.497 ( -0.952 -1.217 -0.000) 1.545 4.861 ( 1.970 2.510 0.000) 3.191 4.904 ( 1.864 -2.527 -0.000) 3.140 5.501 ( -3.605 1.611 0.000) 3.948 5.519 ( -2.768 -0.606 -0.000) 2.833 6.076 ( -4.903 1.149 0.000) 5.036 6.076 ( -4.477 0.991 0.000) 4.586 8.014 ( 18.407 -0.271 -0.000) 18.409 8.015 ( 17.998 -0.384 -0.000) 18.002 8.248 ( -0.515 0.609 0.000) 0.797 8.257 ( -0.209 -0.485 -0.000) 0.528 9.024 ( -2.397 3.349 0.000) 4.119 9.084 ( -1.542 -3.575 -0.000) 3.894 9.176 ( -11.559 -0.137 0.000) 11.560 9.176 ( -10.928 -0.013 0.000) 10.928 9.901 ( 4.177 1.422 0.000) 4.413 9.924 ( 4.924 -1.374 -0.000) 5.112 10.221 ( -0.291 2.392 0.000) 2.410 10.265 ( 0.338 -2.787 -0.000) 2.807 10.849 ( -3.106 5.541 0.000) 6.352 10.936 ( -3.247 -4.813 -0.000) 5.806 11.254 ( 1.147 5.759 0.000) 5.872 11.345 ( 2.420 -4.618 -0.000) 5.214 ======================= Grid point 154 (63/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -1.539 0.465 2.524) 2.992 0.896 ( -3.165 0.678 -0.217) 3.244 1.037 ( -2.246 9.047 -1.657) 9.468 1.238 ( -0.289 0.577 0.383) 0.750 1.310 ( 2.542 1.745 -0.106) 3.085 1.346 ( -4.732 -1.661 0.187) 5.018 1.458 ( -4.812 3.259 2.253) 6.233 1.487 ( -4.455 2.641 -1.615) 5.425 1.626 ( -6.363 5.102 0.336) 8.162 1.665 ( -1.938 0.915 -2.046) 2.963 1.850 ( -2.798 1.767 7.030) 7.770 1.935 ( 1.612 2.618 -6.561) 7.245 2.031 ( 2.311 -1.883 -0.012) 2.981 2.038 ( -2.089 0.616 -2.072) 3.006 2.249 ( 1.758 0.203 6.943) 7.165 2.301 ( -3.205 -0.338 -2.260) 3.937 2.347 ( -1.756 -5.113 4.322) 6.921 2.422 ( -1.755 -4.660 -7.865) 9.309 2.598 ( -1.948 5.306 0.656) 5.690 2.672 ( 1.349 5.477 -0.170) 5.643 2.832 ( 9.591 -1.391 3.312) 10.242 2.986 ( 2.930 -1.539 -1.803) 3.769 3.170 ( 0.271 1.817 -0.285) 1.859 3.276 ( 3.464 -7.299 4.110) 9.065 3.418 ( 1.591 1.867 -0.958) 2.633 3.485 ( 1.200 -0.786 -3.822) 4.082 3.794 ( 5.493 -3.017 0.271) 6.272 3.810 ( 3.266 -6.451 -2.724) 7.726 4.026 ( 6.296 4.117 -0.637) 7.550 4.193 ( 4.686 1.919 3.153) 5.965 4.565 ( 3.863 4.180 0.179) 5.695 4.635 ( 4.493 0.732 0.189) 4.556 4.902 ( -1.115 2.071 1.082) 2.589 4.963 ( -0.579 0.444 -0.159) 0.747 5.287 ( 2.240 4.270 -1.196) 4.968 5.625 ( 3.600 -4.048 0.802) 5.476 5.927 ( 0.123 -0.754 -0.386) 0.856 5.978 ( -0.531 -2.750 -0.533) 2.851 8.031 ( -19.258 0.463 -0.004) 19.264 8.057 ( -19.864 -0.476 0.152) 19.871 8.231 ( 2.545 -0.821 0.095) 2.676 8.250 ( 0.161 -0.981 -0.160) 1.007 8.987 ( 3.753 0.620 0.417) 3.827 9.094 ( -0.902 -0.980 -0.627) 1.472 9.184 ( 11.406 1.924 0.024) 11.567 9.221 ( 14.613 -0.087 0.079) 14.613 9.857 ( -6.923 0.775 0.034) 6.967 9.922 ( -1.787 -1.109 -0.341) 2.131 10.284 ( 0.420 -3.297 5.238) 6.203 10.374 ( -1.414 -5.103 -6.228) 8.175 10.620 ( 1.225 3.960 3.508) 5.430 10.926 ( -0.470 -4.431 -2.679) 5.199 11.180 ( 1.335 5.064 0.481) 5.259 11.476 ( -1.466 -1.060 0.599) 1.905 ======================= Grid point 155 (64/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 2.272 1.565 0.000) 2.759 0.945 ( -1.540 -0.761 -0.000) 1.718 1.115 ( -0.046 6.062 0.000) 6.062 1.221 ( 2.224 -0.271 -0.000) 2.240 1.311 ( -0.477 1.742 0.000) 1.806 1.375 ( -0.650 -1.509 -0.000) 1.644 1.534 ( 1.414 -0.061 -0.000) 1.415 1.552 ( -3.196 -0.500 0.000) 3.235 1.668 ( 2.290 4.648 0.000) 5.181 1.772 ( -5.695 1.456 0.000) 5.878 1.899 ( -4.135 0.079 0.000) 4.135 1.968 ( -1.610 -0.790 -0.000) 1.793 1.991 ( -1.177 0.227 0.000) 1.199 1.991 ( 7.933 1.220 -0.000) 8.027 2.189 ( 2.919 -0.743 -0.000) 3.012 2.260 ( 1.696 -0.433 -0.000) 1.750 2.377 ( -4.560 0.855 0.000) 4.639 2.565 ( -10.128 -4.700 -0.000) 11.165 2.654 ( 4.911 3.080 0.000) 5.797 2.700 ( 1.195 2.029 0.000) 2.355 2.726 ( 0.150 5.061 0.000) 5.063 2.925 ( 1.494 -1.858 -0.000) 2.384 3.142 ( 4.761 -8.582 -0.000) 9.814 3.175 ( -1.351 -2.586 -0.000) 2.918 3.393 ( 1.298 -0.211 -0.000) 1.314 3.524 ( -3.570 5.851 0.000) 6.855 3.651 ( 5.122 0.086 -0.000) 5.123 3.711 ( 1.995 -5.762 -0.000) 6.097 3.993 ( 0.740 1.367 0.000) 1.554 4.120 ( 3.889 -1.545 -0.000) 4.185 4.534 ( 2.679 1.929 0.000) 3.302 4.563 ( 3.436 -0.752 -0.000) 3.517 4.947 ( 0.118 1.118 0.000) 1.124 4.947 ( 1.398 0.998 0.000) 1.718 5.322 ( -1.999 4.637 0.000) 5.050 5.534 ( 2.677 -3.445 -0.000) 4.363 5.936 ( -1.375 0.622 0.000) 1.509 5.974 ( -1.439 -1.574 -0.000) 2.133 8.192 ( 0.922 -0.424 -0.000) 1.015 8.200 ( -0.288 -0.978 -0.000) 1.020 8.373 ( -13.273 -0.020 0.000) 13.273 8.384 ( -13.376 -0.061 0.000) 13.377 8.875 ( 9.464 1.578 -0.000) 9.594 8.962 ( 11.823 -0.770 -0.000) 11.848 9.051 ( 3.345 1.158 0.000) 3.540 9.106 ( -1.377 -1.541 -0.000) 2.067 9.939 ( -0.548 0.468 0.000) 0.721 9.969 ( -4.679 0.011 0.000) 4.679 10.243 ( 3.257 -0.963 -0.000) 3.396 10.332 ( -0.189 -3.880 -0.000) 3.885 10.666 ( -1.495 4.189 0.000) 4.447 10.906 ( -2.677 -5.548 -0.000) 6.160 11.202 ( 1.842 6.391 0.000) 6.652 11.471 ( 0.503 -2.394 -0.000) 2.446 ======================= Grid point 163 (65/125) ======================= q-point: ( 0.22 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -8.386 2.656 0.000) 8.796 0.814 ( -4.393 8.425 0.000) 9.502 0.889 ( -5.500 2.532 0.000) 6.055 1.210 ( -0.964 2.411 0.000) 2.596 1.226 ( -10.076 3.327 0.000) 10.611 1.324 ( -6.754 3.037 0.000) 7.406 1.355 ( 4.118 2.740 0.000) 4.946 1.379 ( -3.153 2.550 0.000) 4.055 1.474 ( -4.260 6.679 0.000) 7.921 1.623 ( -0.697 1.354 0.000) 1.523 1.737 ( -4.145 4.819 0.000) 6.356 1.836 ( -10.360 6.406 0.000) 12.180 2.067 ( 6.957 -2.724 -0.000) 7.471 2.120 ( 1.915 -3.478 -0.000) 3.970 2.171 ( -7.804 -1.778 -0.000) 8.004 2.253 ( -1.160 0.905 0.000) 1.472 2.286 ( -2.630 2.289 0.000) 3.487 2.535 ( -1.519 1.920 0.000) 2.448 2.600 ( 7.587 -7.902 -0.000) 10.955 2.731 ( 8.410 1.343 -0.000) 8.517 3.024 ( 8.688 -1.521 -0.000) 8.821 3.047 ( 3.374 -0.341 -0.000) 3.391 3.154 ( 0.747 3.513 0.000) 3.592 3.406 ( 3.238 -5.732 -0.000) 6.584 3.447 ( 5.863 6.555 0.000) 8.794 3.510 ( -1.103 -8.529 -0.000) 8.600 3.827 ( -1.755 -1.138 -0.000) 2.092 3.939 ( 3.840 -7.308 -0.000) 8.256 4.151 ( 9.983 3.548 0.000) 10.595 4.239 ( 2.746 5.852 0.000) 6.464 4.591 ( 4.388 6.751 0.000) 8.052 4.710 ( 5.015 2.306 0.000) 5.520 4.890 ( 1.090 0.954 0.000) 1.449 4.944 ( -0.515 0.129 0.000) 0.531 5.310 ( 3.351 2.477 0.000) 4.167 5.718 ( 2.699 -3.852 -0.000) 4.704 5.939 ( -0.020 -1.687 -0.000) 1.687 5.994 ( -0.282 -3.119 -0.000) 3.132 7.683 ( -18.362 0.428 0.000) 18.367 7.719 ( -18.123 -0.913 0.000) 18.146 8.271 ( 0.836 -0.879 -0.000) 1.213 8.297 ( 3.431 -1.482 -0.000) 3.738 9.038 ( 2.324 -0.118 -0.000) 2.327 9.096 ( 1.253 -0.438 -0.000) 1.327 9.355 ( 9.944 3.749 0.000) 10.627 9.450 ( 10.978 0.289 -0.000) 10.982 9.711 ( -8.456 0.950 0.000) 8.509 9.910 ( -1.534 -2.949 -0.000) 3.324 10.324 ( -1.203 -3.015 -0.000) 3.246 10.347 ( -5.385 -7.982 -0.000) 9.629 10.633 ( 2.602 4.198 0.000) 4.939 10.964 ( 2.181 -2.893 -0.000) 3.623 11.166 ( 0.928 3.254 0.000) 3.384 11.441 ( -3.432 -0.698 -0.000) 3.502 ======================= Grid point 172 (66/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -0.000 12.499 0.000) 12.499 0.537 ( -0.000 11.889 0.000) 11.889 0.874 ( -0.000 0.239 0.000) 0.239 0.981 ( -0.000 23.821 0.000) 23.821 1.148 ( -0.000 0.824 0.000) 0.824 1.249 ( -0.000 4.590 0.000) 4.590 1.292 ( -0.000 6.223 0.000) 6.223 1.422 ( -0.000 1.504 0.000) 1.504 1.510 ( -0.000 7.106 0.000) 7.106 1.549 ( 0.000 -0.176 -0.000) 0.176 1.677 ( 0.000 -2.284 -0.000) 2.284 1.704 ( -0.000 6.554 0.000) 6.554 1.956 ( -0.000 4.399 0.000) 4.399 2.055 ( 0.000 -1.421 -0.000) 1.421 2.223 ( 0.000 -0.614 -0.000) 0.614 2.227 ( -0.000 1.990 0.000) 1.990 2.356 ( -0.000 2.145 0.000) 2.145 2.500 ( -0.000 0.139 0.000) 0.139 2.705 ( 0.000 -10.589 -0.000) 10.589 2.940 ( 0.000 -0.877 -0.000) 0.877 3.128 ( 0.000 -1.029 -0.000) 1.029 3.171 ( -0.000 0.525 0.000) 0.525 3.187 ( 0.000 -1.945 -0.000) 1.945 3.444 ( 0.000 -6.943 -0.000) 6.943 3.487 ( 0.000 -5.207 -0.000) 5.207 3.655 ( -0.000 3.348 0.000) 3.348 3.760 ( -0.000 0.469 0.000) 0.469 4.024 ( 0.000 -5.203 -0.000) 5.203 4.285 ( -0.000 9.120 0.000) 9.120 4.332 ( -0.000 2.620 0.000) 2.620 4.701 ( -0.000 6.895 0.000) 6.895 4.830 ( -0.000 3.306 0.000) 3.306 4.963 ( 0.000 -0.483 0.000) 0.483 4.963 ( 0.000 -0.314 -0.000) 0.314 5.365 ( -0.000 1.547 0.000) 1.547 5.765 ( 0.000 -3.831 -0.000) 3.831 5.913 ( 0.000 -3.108 -0.000) 3.108 5.987 ( 0.000 -3.460 -0.000) 3.460 7.276 ( 0.000 -1.089 -0.000) 1.089 7.346 ( 0.000 -1.841 -0.000) 1.841 8.287 ( 0.000 -0.847 -0.000) 0.847 8.367 ( 0.000 -2.392 -0.000) 2.392 9.078 ( -0.000 1.892 0.000) 1.892 9.207 ( 0.000 -0.518 -0.000) 0.518 9.467 ( -0.000 1.861 0.000) 1.861 9.609 ( -0.000 0.797 0.000) 0.797 9.654 ( -0.000 0.599 0.000) 0.599 9.872 ( 0.000 -5.023 -0.000) 5.023 10.087 ( -0.000 2.312 0.000) 2.312 10.292 ( 0.000 -2.178 -0.000) 2.178 10.688 ( -0.000 4.916 0.000) 4.916 11.154 ( -0.000 1.874 0.000) 1.874 11.177 ( -0.000 1.241 0.000) 1.241 11.232 ( 0.000 -5.780 -0.000) 5.780 ======================= Grid point 173 (67/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -6.189 6.816 -2.624) 9.573 0.722 ( -12.076 7.692 4.429) 14.987 0.861 ( 1.418 1.605 0.525) 2.204 1.183 ( -3.337 -0.562 0.444) 3.413 1.195 ( -2.962 13.754 -1.947) 14.203 1.279 ( -1.040 4.686 -0.610) 4.838 1.357 ( -1.697 4.949 1.592) 5.469 1.441 ( 1.075 1.454 2.497) 3.083 1.512 ( 2.665 6.843 -0.979) 7.408 1.598 ( -3.945 0.637 0.093) 3.997 1.721 ( -3.561 4.608 -3.876) 6.995 1.794 ( -2.756 6.968 5.310) 9.184 1.994 ( -2.717 0.571 -4.052) 4.912 2.054 ( -2.083 -3.054 -4.014) 5.457 2.183 ( 2.726 -2.860 3.076) 5.007 2.266 ( -1.326 2.889 -5.228) 6.118 2.336 ( 4.205 2.979 3.246) 6.090 2.532 ( -1.243 2.634 3.078) 4.237 2.601 ( 1.606 -10.061 1.245) 10.264 2.875 ( 5.992 1.196 -1.154) 6.218 3.081 ( 3.362 -2.679 -6.342) 7.662 3.107 ( 1.876 -3.129 -2.547) 4.449 3.172 ( 0.854 -2.490 4.526) 5.236 3.380 ( 2.022 -4.074 -5.807) 7.377 3.480 ( -0.441 -2.468 10.455) 10.751 3.621 ( 6.065 5.000 -0.466) 7.874 3.788 ( -1.587 -1.484 2.869) 3.599 3.952 ( 3.071 -5.545 0.683) 6.376 4.313 ( 4.796 3.693 -1.059) 6.145 4.330 ( 2.101 6.449 -2.683) 7.294 4.722 ( 3.675 6.121 0.127) 7.140 4.826 ( 4.150 3.751 -0.346) 5.604 4.919 ( 2.408 -0.140 -1.516) 2.849 4.948 ( 0.737 -0.184 0.133) 0.771 5.374 ( 1.163 2.746 0.748) 3.074 5.715 ( 1.261 -4.540 -1.316) 4.892 5.906 ( -1.353 -3.049 1.085) 3.508 5.964 ( -0.202 -4.098 1.912) 4.526 7.394 ( -13.086 -0.837 -0.051) 13.113 7.437 ( -11.594 -1.659 -0.105) 11.712 8.276 ( 0.501 -0.749 0.028) 0.902 8.330 ( 1.886 -2.177 -0.104) 2.882 9.079 ( 1.771 1.357 0.087) 2.233 9.147 ( 4.187 -0.243 0.155) 4.197 9.539 ( 6.713 2.677 -1.078) 7.307 9.573 ( -6.515 1.466 0.828) 6.729 9.606 ( 5.035 0.667 -0.410) 5.095 9.842 ( -1.920 -4.758 -1.182) 5.265 10.175 ( -5.675 -1.499 -1.326) 6.018 10.296 ( -1.333 -3.094 4.971) 6.005 10.703 ( 2.063 5.072 -3.811) 6.671 11.036 ( 6.447 -1.812 1.823) 6.941 11.189 ( -0.457 1.825 -0.829) 2.056 11.327 ( -7.237 -2.543 -0.044) 7.671 ======================= Grid point 174 (68/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -4.447 1.814 -3.883) 6.176 0.866 ( -1.121 0.652 0.449) 1.372 1.014 ( -9.845 6.139 4.234) 12.351 1.221 ( -2.030 -1.376 0.835) 2.591 1.275 ( -1.049 4.652 -2.196) 5.250 1.390 ( -1.147 3.467 -0.927) 3.768 1.404 ( 0.397 4.406 -0.959) 4.527 1.453 ( -3.492 1.167 4.382) 5.724 1.575 ( -2.928 5.262 -2.175) 6.402 1.657 ( -0.932 2.024 1.383) 2.622 1.819 ( -1.495 7.088 -5.181) 8.907 1.912 ( -6.046 2.043 -1.933) 6.669 2.027 ( -3.707 -1.853 -0.875) 4.236 2.047 ( 0.284 -2.796 -3.055) 4.151 2.147 ( -4.124 -1.074 1.526) 4.527 2.256 ( 0.532 -2.226 -5.654) 6.100 2.298 ( 4.018 1.775 3.126) 5.391 2.495 ( 3.276 -6.478 4.779) 8.691 2.619 ( -1.246 5.074 3.990) 6.574 2.783 ( 5.824 5.568 -1.057) 8.127 2.926 ( 5.614 -2.877 -9.189) 11.146 3.042 ( 3.031 -1.628 1.197) 3.643 3.150 ( 1.014 -6.043 4.738) 7.746 3.267 ( 3.257 -4.027 -2.477) 5.741 3.522 ( 2.586 2.165 6.053) 6.929 3.559 ( 4.485 4.871 2.946) 7.247 3.798 ( -0.056 -3.534 1.526) 3.850 3.844 ( 4.273 -6.118 3.789) 8.369 4.217 ( 8.589 4.342 -1.125) 9.689 4.285 ( 5.176 3.405 -4.937) 7.922 4.679 ( 5.482 3.483 -1.087) 6.585 4.744 ( 6.308 2.061 -0.856) 6.691 4.898 ( -0.108 1.523 -1.909) 2.444 4.952 ( -0.728 0.484 0.648) 1.088 5.377 ( 2.387 4.014 1.327) 4.855 5.634 ( 2.346 -4.667 -1.701) 5.493 5.910 ( -0.914 -2.473 0.888) 2.782 5.946 ( -0.615 -3.512 1.354) 3.814 7.682 ( -19.154 -0.335 -0.406) 19.161 7.704 ( -18.760 -0.701 0.178) 18.774 8.255 ( 1.190 -0.759 -0.089) 1.414 8.273 ( 2.490 -1.287 0.201) 2.811 9.039 ( 2.980 0.682 -1.002) 3.217 9.100 ( 1.372 -0.232 1.772) 2.253 9.402 ( 10.498 2.131 -0.667) 10.732 9.450 ( 11.017 0.010 -0.403) 11.024 9.734 ( -7.821 1.256 0.273) 7.926 9.855 ( -3.838 -2.735 -0.627) 4.754 10.212 ( -1.959 -1.949 -3.055) 4.120 10.335 ( -2.404 -4.078 7.172) 8.594 10.660 ( 3.052 3.651 -7.478) 8.864 10.953 ( 3.376 -2.247 5.528) 6.856 11.216 ( -0.897 3.313 -2.024) 3.985 11.407 ( -4.177 -2.054 -0.677) 4.703 ======================= Grid point 175 (69/125) ======================= q-point: ( 0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -2.180 0.434 -4.359) 4.893 0.894 ( -1.700 -0.075 -1.818) 2.490 1.186 ( -0.593 4.079 3.258) 5.254 1.243 ( -0.777 0.649 0.537) 1.146 1.310 ( -0.440 -0.538 -0.542) 0.881 1.358 ( 0.180 2.316 -0.127) 2.326 1.489 ( -1.777 2.916 -2.585) 4.282 1.529 ( -2.269 1.322 0.753) 2.732 1.647 ( -4.409 -0.839 -5.863) 7.384 1.685 ( -0.318 0.689 -0.286) 0.811 1.820 ( -2.462 2.117 -1.847) 3.736 1.957 ( 1.251 -2.297 -2.245) 3.447 2.062 ( 0.562 -0.203 -0.285) 0.662 2.127 ( 0.636 5.348 5.939) 8.017 2.139 ( -3.875 -0.168 -5.255) 6.532 2.263 ( -4.145 -1.240 -2.028) 4.778 2.314 ( -5.853 -0.478 1.725) 6.121 2.429 ( 1.906 -5.745 7.606) 9.720 2.666 ( 1.853 3.441 -2.795) 4.805 2.737 ( 4.521 -0.870 -7.193) 8.540 2.773 ( 3.719 5.755 -1.801) 7.084 3.002 ( 1.544 -1.612 0.921) 2.414 3.073 ( 2.574 -5.200 3.189) 6.621 3.206 ( 1.283 -3.816 4.822) 6.282 3.489 ( 4.686 3.728 2.545) 6.506 3.573 ( 2.011 4.494 2.134) 5.366 3.732 ( 4.371 -3.691 -0.379) 5.734 3.774 ( 1.499 -4.541 9.057) 10.242 4.100 ( 7.135 3.511 -0.645) 7.978 4.169 ( 6.246 0.835 -4.185) 7.565 4.580 ( 5.850 0.407 -3.039) 6.605 4.662 ( 4.284 1.420 0.668) 4.562 4.915 ( -1.258 1.933 -2.943) 3.739 4.968 ( -0.070 -0.177 0.098) 0.214 5.371 ( 2.708 3.631 0.171) 4.533 5.548 ( 2.120 -3.376 -0.384) 4.005 5.900 ( -0.468 -2.087 -0.856) 2.303 5.954 ( -1.589 -1.291 1.705) 2.665 8.033 ( -20.161 -0.103 -0.371) 20.165 8.053 ( -19.432 0.066 0.403) 19.437 8.218 ( 1.508 -0.493 -0.112) 1.590 8.241 ( 0.586 -0.671 0.836) 1.222 8.991 ( 2.313 0.905 -1.597) 2.953 9.094 ( 1.784 -0.672 2.240) 2.942 9.201 ( 11.638 0.532 -0.708) 11.672 9.222 ( 14.128 0.182 0.306) 14.133 9.851 ( -5.084 -0.399 -1.747) 5.390 9.934 ( -5.303 0.494 2.749) 5.993 10.192 ( 0.449 -1.497 -3.393) 3.736 10.379 ( -1.635 -3.143 7.041) 7.882 10.602 ( 0.747 2.030 -8.681) 8.947 10.925 ( 1.624 -2.014 6.493) 6.990 11.248 ( -0.339 4.429 -3.076) 5.403 11.436 ( -1.583 -2.349 -0.261) 2.845 ======================= Grid point 176 (70/125) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -1.013 0.580 -3.811) 3.986 0.900 ( -0.801 -1.119 -3.054) 3.350 1.109 ( 7.330 -0.157 -4.989) 8.869 1.274 ( 0.336 2.020 0.127) 2.052 1.299 ( 1.056 -0.159 2.040) 2.302 1.404 ( -1.651 0.715 1.751) 2.511 1.497 ( -0.112 0.919 -1.677) 1.915 1.567 ( 0.622 0.867 -0.015) 1.067 1.636 ( -1.806 -0.969 -6.708) 7.014 1.696 ( -0.368 -2.979 -1.701) 3.450 1.925 ( -2.816 1.189 -0.497) 3.097 1.946 ( -1.761 -1.196 -0.128) 2.133 1.978 ( -1.286 -0.737 6.446) 6.614 2.161 ( 6.223 6.646 1.761) 9.273 2.203 ( -2.860 2.070 -5.752) 6.749 2.265 ( 1.974 -2.288 1.498) 3.373 2.425 ( -5.205 0.107 5.950) 7.906 2.492 ( -8.289 -3.242 0.226) 8.903 2.577 ( 7.318 0.505 -5.227) 9.007 2.631 ( -0.617 -0.869 -5.592) 5.692 2.797 ( 0.060 3.585 -3.464) 4.985 2.918 ( 2.540 -5.407 -2.983) 6.677 3.074 ( 2.037 4.068 7.792) 9.023 3.166 ( 2.445 -6.061 7.105) 9.654 3.457 ( 2.544 2.660 0.168) 3.685 3.582 ( -0.192 1.520 -2.232) 2.707 3.637 ( 1.329 0.491 -0.673) 1.568 3.810 ( -0.688 -1.679 14.416) 14.530 4.013 ( 3.864 0.316 -3.261) 5.066 4.080 ( 2.548 0.858 0.764) 2.795 4.463 ( 4.720 -1.085 -3.488) 5.969 4.621 ( 2.438 0.777 2.130) 3.330 4.923 ( 1.762 1.090 -2.108) 2.956 4.952 ( -0.808 -0.722 -2.436) 2.666 5.322 ( 3.358 0.256 -3.754) 5.043 5.538 ( -1.793 0.040 3.136) 3.613 5.895 ( -1.503 -0.904 -2.208) 2.820 5.992 ( -2.163 0.013 1.490) 2.626 8.182 ( 0.432 -0.311 0.518) 0.743 8.222 ( 0.056 0.236 1.702) 1.719 8.362 ( -13.806 -0.121 -0.593) 13.819 8.386 ( -13.093 -0.113 0.169) 13.094 8.895 ( 11.379 1.309 -0.833) 11.485 8.953 ( 8.409 -0.996 0.639) 8.492 9.015 ( 3.456 -0.143 -2.167) 4.082 9.141 ( 0.568 0.060 2.578) 2.641 9.908 ( -3.061 -0.198 -1.650) 3.483 10.022 ( 0.017 0.305 2.937) 2.953 10.167 ( -2.159 -0.081 -1.920) 2.890 10.411 ( 0.226 -1.499 6.994) 7.157 10.585 ( -2.605 0.980 -8.703) 9.137 10.930 ( -0.195 -1.347 5.414) 5.582 11.264 ( 0.644 3.870 -3.758) 5.432 11.426 ( 0.389 -2.407 0.970) 2.624 ======================= Grid point 177 (71/125) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.488 -0.000 -1.488) 1.566 0.852 ( 3.591 -0.000 -5.238) 6.351 0.954 ( 6.344 -0.000 -1.824) 6.601 1.276 ( -0.786 -0.000 -2.917) 3.021 1.281 ( 2.933 0.000 4.560) 5.421 1.434 ( -0.484 0.000 1.606) 1.678 1.490 ( 1.711 -0.000 -0.149) 1.717 1.510 ( 4.805 -0.000 -1.217) 4.957 1.588 ( 8.755 -0.000 -0.739) 8.786 1.666 ( -5.333 -0.000 -8.011) 9.624 1.920 ( 3.524 0.000 2.293) 4.204 2.020 ( -5.089 0.000 0.668) 5.132 2.026 ( 0.905 -0.000 -2.243) 2.419 2.116 ( 2.461 0.000 1.026) 2.666 2.239 ( -5.517 0.000 7.548) 9.349 2.259 ( -0.435 -0.000 -5.213) 5.231 2.453 ( 1.674 -0.000 -4.700) 4.990 2.511 ( 5.875 -0.000 0.018) 5.875 2.557 ( -0.876 -0.000 -1.240) 1.518 2.643 ( -7.068 0.000 1.794) 7.292 2.737 ( 5.883 -0.000 -3.874) 7.044 2.821 ( 1.535 -0.000 -4.335) 4.599 3.087 ( 3.105 0.000 9.763) 10.245 3.171 ( -2.887 0.000 3.375) 4.441 3.448 ( -0.027 -0.000 -0.032) 0.042 3.646 ( -9.662 -0.000 -2.626) 10.013 3.692 ( -5.006 0.000 -0.256) 5.013 3.885 ( 0.847 0.000 14.423) 14.448 3.943 ( 1.814 -0.000 -3.975) 4.369 4.096 ( -2.193 0.000 2.615) 3.413 4.371 ( 2.393 -0.000 -3.416) 4.171 4.609 ( 0.868 0.000 2.868) 2.996 4.863 ( 2.863 -0.000 -1.730) 3.345 4.959 ( -0.554 -0.000 -1.477) 1.578 5.253 ( 0.660 -0.000 -5.989) 6.025 5.615 ( -3.970 0.000 3.819) 5.509 5.916 ( -2.790 -0.000 -3.042) 4.128 6.038 ( -2.256 0.000 0.137) 2.260 8.185 ( 0.112 0.000 1.485) 1.489 8.233 ( 0.210 0.000 2.043) 2.054 8.368 ( 13.905 -0.000 -1.055) 13.945 8.378 ( 11.849 -0.000 -0.324) 11.853 8.882 ( -10.402 0.000 -0.936) 10.444 8.952 ( -8.714 0.000 1.233) 8.801 9.016 ( -3.881 -0.000 -2.022) 4.376 9.137 ( 1.248 0.000 1.598) 2.028 9.941 ( -1.445 -0.000 -0.634) 1.578 9.964 ( 5.458 -0.000 -0.747) 5.509 10.251 ( -4.924 0.000 3.952) 6.314 10.418 ( 2.387 0.000 6.696) 7.109 10.608 ( -4.486 -0.000 -8.830) 9.904 10.966 ( -1.593 0.000 3.867) 4.183 11.244 ( 1.243 -0.000 -3.918) 4.110 11.403 ( 1.461 0.000 1.782) 2.305 ======================= Grid point 182 (72/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -0.000 10.793 8.002) 13.436 0.539 ( -0.000 12.184 0.853) 12.214 0.880 ( -0.000 0.359 1.185) 1.238 0.986 ( -0.000 20.007 1.230) 20.045 1.163 ( -0.000 -0.192 2.533) 2.540 1.226 ( -0.000 5.984 -3.174) 6.774 1.313 ( -0.000 5.093 3.001) 5.912 1.452 ( -0.000 6.502 -2.792) 7.076 1.456 ( -0.000 1.713 0.927) 1.947 1.577 ( -0.000 0.693 2.368) 2.468 1.675 ( 0.000 -2.258 -0.466) 2.305 1.735 ( -0.000 6.331 5.662) 8.493 1.931 ( -0.000 3.786 -4.024) 5.525 2.014 ( 0.000 -1.908 -6.750) 7.014 2.189 ( 0.000 3.120 -6.500) 7.210 2.251 ( -0.000 -2.494 4.017) 4.728 2.369 ( -0.000 2.017 1.994) 2.836 2.537 ( -0.000 1.735 6.750) 6.969 2.696 ( 0.000 -9.667 -1.900) 9.852 2.920 ( 0.000 -0.657 -3.317) 3.381 3.106 ( 0.000 -5.403 -11.038) 12.290 3.134 ( -0.000 -0.606 1.261) 1.399 3.174 ( -0.000 3.656 -1.291) 3.877 3.418 ( 0.000 -5.364 -1.862) 5.678 3.575 ( -0.000 -4.649 10.929) 11.877 3.627 ( -0.000 5.578 -2.503) 6.114 3.818 ( -0.000 -1.602 7.906) 8.067 4.018 ( 0.000 -3.639 -0.851) 3.737 4.264 ( -0.000 7.463 -3.629) 8.298 4.322 ( -0.000 2.499 -1.780) 3.068 4.704 ( -0.000 6.625 0.483) 6.643 4.833 ( -0.000 3.153 0.569) 3.204 4.930 ( 0.000 1.412 -5.544) 5.721 4.961 ( 0.000 -0.489 -0.336) 0.593 5.373 ( -0.000 1.425 1.641) 2.173 5.749 ( 0.000 -3.730 -2.723) 4.618 5.931 ( 0.000 -3.526 3.203) 4.764 6.028 ( 0.000 -6.073 6.363) 8.796 7.277 ( 0.000 -1.034 0.179) 1.049 7.345 ( 0.000 -1.853 -0.313) 1.879 8.287 ( 0.000 -0.826 0.160) 0.841 8.366 ( 0.000 -2.335 -0.350) 2.361 9.081 ( -0.000 1.852 0.549) 1.932 9.204 ( 0.000 -0.430 -0.672) 0.797 9.477 ( -0.000 1.631 1.842) 2.460 9.587 ( 0.000 2.176 -3.428) 4.061 9.647 ( 0.000 0.619 -1.184) 1.336 9.855 ( 0.000 -4.812 -3.061) 5.703 10.099 ( -0.000 2.430 2.284) 3.335 10.345 ( -0.000 -4.147 8.723) 9.658 10.653 ( -0.000 5.009 -5.679) 7.573 11.143 ( 0.000 -1.479 -5.177) 5.384 11.172 ( -0.000 2.015 2.941) 3.565 11.249 ( 0.000 -3.134 1.976) 3.705 ======================= Grid point 183 (73/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -4.182 6.795 -0.841) 8.023 0.785 ( -11.511 6.881 7.017) 15.135 0.871 ( 1.783 1.832 1.099) 2.783 1.161 ( -2.115 12.120 -3.664) 12.837 1.198 ( -3.501 -1.890 2.103) 4.500 1.267 ( -1.587 5.817 -1.732) 6.273 1.382 ( -1.958 4.259 2.835) 5.478 1.483 ( 3.314 2.509 2.998) 5.125 1.495 ( -0.904 4.557 -0.134) 4.647 1.599 ( -4.475 0.714 0.189) 4.536 1.681 ( -1.852 3.771 -3.010) 5.168 1.866 ( -0.913 6.225 7.532) 9.813 1.928 ( -3.335 -1.815 -7.204) 8.143 1.992 ( -3.822 -2.464 -6.672) 8.074 2.155 ( 1.115 -0.740 -10.169) 10.257 2.250 ( -0.205 -1.902 4.152) 4.571 2.369 ( 2.777 2.080 2.258) 4.140 2.592 ( 2.126 -1.462 4.115) 4.857 2.620 ( -0.291 -1.041 4.933) 5.050 2.854 ( 5.102 1.619 -2.541) 5.925 2.975 ( 1.887 -5.884 -10.625) 12.291 3.106 ( 2.761 -0.978 0.704) 3.013 3.198 ( 0.065 1.990 0.413) 2.033 3.345 ( 3.407 -3.439 -1.264) 5.003 3.601 ( 0.568 -2.844 11.174) 11.545 3.623 ( 4.928 5.922 1.585) 7.865 3.836 ( 0.128 -2.423 5.440) 5.957 3.968 ( 2.148 -4.774 2.331) 5.731 4.269 ( 2.942 5.872 -7.166) 9.720 4.299 ( 3.878 3.634 -2.550) 5.895 4.723 ( 3.637 5.329 -0.137) 6.453 4.816 ( 4.967 3.608 -1.752) 6.384 4.893 ( 1.545 0.679 -2.811) 3.278 4.948 ( 0.446 0.232 -0.077) 0.509 5.391 ( 0.943 2.189 2.426) 3.401 5.689 ( 1.071 -4.248 -3.220) 5.437 5.928 ( -0.941 -3.727 2.922) 4.829 5.997 ( 0.525 -5.835 3.593) 6.873 7.393 ( -12.840 -0.744 -0.079) 12.861 7.434 ( -11.647 -1.476 -0.358) 11.746 8.277 ( 0.587 -0.710 0.243) 0.953 8.327 ( 1.822 -2.042 -0.334) 2.757 9.081 ( 2.224 1.296 0.286) 2.590 9.150 ( 3.431 -0.150 0.262) 3.444 9.523 ( 5.645 2.784 -1.542) 6.480 9.584 ( -2.352 0.631 0.839) 2.576 9.599 ( 1.258 1.184 -0.469) 1.790 9.818 ( -2.456 -4.351 -3.152) 5.908 10.169 ( -2.843 0.428 0.722) 2.964 10.373 ( -1.895 -4.775 8.286) 9.749 10.639 ( 2.494 4.490 -7.058) 8.729 11.053 ( 2.932 -2.262 0.081) 3.704 11.181 ( 0.392 0.857 -0.046) 0.944 11.326 ( -5.625 -0.947 -0.225) 5.709 ======================= Grid point 184 (74/125) ======================= q-point: ( 0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -3.528 1.946 -3.029) 5.041 0.862 ( -0.156 0.759 -1.259) 1.479 1.070 ( -9.530 5.261 5.831) 12.349 1.224 ( -2.394 2.577 -1.479) 3.816 1.256 ( -0.374 3.289 -0.016) 3.310 1.373 ( -4.116 4.496 -2.264) 6.503 1.393 ( 3.807 2.545 -1.077) 4.704 1.511 ( -2.853 -1.833 5.920) 6.823 1.551 ( -2.534 2.849 -1.874) 4.248 1.676 ( -1.145 1.910 2.018) 3.006 1.766 ( -0.515 5.482 -4.084) 6.856 1.880 ( -7.313 -0.409 -3.969) 8.331 1.998 ( -0.570 -4.887 -5.533) 7.404 2.004 ( -5.625 0.047 -4.019) 6.913 2.142 ( -7.368 -0.365 -0.697) 7.410 2.245 ( 2.304 -2.151 2.478) 4.009 2.328 ( 4.240 1.394 1.638) 4.755 2.516 ( 2.217 -4.046 -0.995) 4.720 2.672 ( 0.133 1.132 3.745) 3.915 2.780 ( 6.547 6.195 1.440) 9.128 2.840 ( 4.947 -1.563 -5.357) 7.457 3.045 ( 2.639 -0.943 -0.883) 2.939 3.193 ( 2.392 -3.646 2.955) 5.268 3.249 ( 3.105 1.179 -0.430) 3.349 3.578 ( 5.904 3.940 4.762) 8.547 3.623 ( 2.543 0.392 7.848) 8.259 3.818 ( 1.738 -3.667 2.246) 4.638 3.900 ( 2.701 -5.244 6.342) 8.661 4.183 ( 6.402 3.924 -6.747) 10.095 4.229 ( 5.953 4.338 -3.674) 8.231 4.664 ( 5.882 2.123 -1.486) 6.428 4.730 ( 5.449 2.509 -1.680) 6.230 4.870 ( 0.404 1.762 -3.274) 3.740 4.959 ( -0.647 0.797 0.592) 1.185 5.398 ( 2.231 2.623 2.561) 4.292 5.610 ( 1.981 -3.935 -2.790) 5.215 5.923 ( -0.253 -3.554 1.422) 3.837 5.963 ( -0.367 -3.895 1.713) 4.271 7.677 ( -19.115 -0.540 -0.584) 19.132 7.706 ( -18.829 -0.213 0.207) 18.832 8.255 ( 1.517 -0.687 -0.018) 1.666 8.275 ( 2.034 -1.062 0.234) 2.306 9.029 ( 3.496 0.457 -0.876) 3.633 9.121 ( 0.738 0.072 2.097) 2.225 9.393 ( 10.301 1.744 -0.983) 10.493 9.444 ( 10.644 0.276 -0.673) 10.669 9.737 ( -7.203 0.279 0.225) 7.212 9.846 ( -5.298 -1.847 -0.903) 5.683 10.195 ( -0.103 -0.469 -0.077) 0.486 10.412 ( -2.152 -4.223 6.565) 8.098 10.573 ( 2.870 2.122 -7.801) 8.579 11.011 ( 2.062 -1.561 4.618) 5.292 11.188 ( -0.919 1.864 -3.003) 3.652 11.397 ( -3.621 -0.723 -0.990) 3.823 ======================= Grid point 185 (75/125) ======================= q-point: ( 0.67 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -1.991 0.330 -3.546) 4.080 0.863 ( -1.276 -0.473 -3.742) 3.982 1.206 ( 4.694 0.272 -0.374) 4.717 1.257 ( -1.187 4.093 2.340) 4.862 1.311 ( -1.515 -0.910 0.504) 1.838 1.340 ( -1.890 3.818 -2.767) 5.080 1.447 ( -2.425 2.032 -4.468) 5.475 1.547 ( -0.689 -0.470 2.426) 2.565 1.604 ( -4.137 -2.773 -1.567) 5.221 1.683 ( 1.070 0.498 0.025) 1.180 1.825 ( -5.446 2.386 1.804) 6.213 1.928 ( -1.344 -2.759 -2.901) 4.223 2.054 ( -1.776 -0.291 -0.918) 2.020 2.084 ( -4.270 1.028 -4.266) 6.123 2.180 ( 1.408 3.374 3.186) 4.850 2.241 ( -2.833 -0.628 -1.928) 3.484 2.334 ( -5.133 0.039 1.853) 5.458 2.464 ( -2.715 -5.618 -1.044) 6.327 2.660 ( 3.567 0.307 -2.801) 4.546 2.682 ( 8.739 0.028 2.219) 9.016 2.751 ( 2.963 5.044 -2.415) 6.329 2.983 ( 1.689 -3.635 -3.028) 5.023 3.124 ( 2.703 -0.373 4.443) 5.214 3.261 ( 0.537 1.062 5.592) 5.717 3.524 ( 5.532 1.091 3.708) 6.749 3.603 ( 4.237 2.756 3.410) 6.097 3.723 ( 5.935 -2.733 -0.703) 6.572 3.885 ( -0.029 -2.491 10.487) 10.779 4.063 ( 5.301 1.729 -6.718) 8.730 4.138 ( 5.672 3.095 -0.907) 6.525 4.552 ( 5.968 -0.432 -2.030) 6.319 4.667 ( 3.319 1.811 0.384) 3.800 4.871 ( -1.266 1.800 -5.065) 5.522 4.969 ( 0.601 -0.315 0.011) 0.679 5.374 ( 3.639 1.132 0.435) 3.836 5.544 ( 0.925 -1.465 -0.319) 1.761 5.893 ( 0.181 -2.944 -0.550) 3.001 5.971 ( -1.565 -1.155 1.435) 2.417 8.029 ( -20.548 -0.225 -0.445) 20.554 8.058 ( -19.300 0.471 0.481) 19.312 8.217 ( 1.440 -0.437 0.036) 1.505 8.250 ( 0.516 -0.471 0.781) 1.048 8.975 ( 2.185 0.520 -1.269) 2.580 9.119 ( 4.070 -0.294 2.259) 4.664 9.192 ( 9.829 0.425 -0.972) 9.886 9.225 ( 13.630 0.298 0.241) 13.635 9.834 ( -4.860 -0.895 -1.401) 5.137 9.964 ( -6.823 0.949 2.698) 7.398 10.166 ( 2.110 -0.809 -1.309) 2.611 10.447 ( -1.608 -2.436 4.737) 5.565 10.514 ( 0.261 0.370 -6.702) 6.717 10.990 ( 2.003 -1.320 5.593) 6.086 11.208 ( -0.938 3.159 -4.224) 5.358 11.432 ( -1.682 -1.222 -0.366) 2.111 ======================= Grid point 186 (76/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -1.718 0.104 -3.021) 3.476 0.856 ( -0.975 -1.712 -4.915) 5.295 1.060 ( 7.108 -0.768 -3.658) 8.031 1.261 ( 0.713 0.217 -1.313) 1.510 1.334 ( 1.545 2.605 3.196) 4.404 1.418 ( -2.267 1.061 0.930) 2.670 1.478 ( -2.956 -0.624 -2.101) 3.680 1.556 ( 0.690 1.394 -0.989) 1.843 1.595 ( 1.327 -2.869 -1.433) 3.471 1.707 ( -0.092 -1.665 3.492) 3.870 1.911 ( -3.006 1.803 -2.335) 4.212 1.942 ( -1.988 -1.608 -0.592) 2.625 2.044 ( -1.195 -0.211 5.454) 5.587 2.097 ( -0.393 0.476 -9.109) 9.130 2.201 ( 1.889 6.071 2.629) 6.881 2.277 ( -0.075 -1.178 0.641) 1.344 2.460 ( -5.775 0.360 -0.026) 5.786 2.507 ( -3.441 -3.152 0.687) 4.717 2.532 ( 5.971 0.579 -1.802) 6.264 2.591 ( -0.040 -1.646 -1.382) 2.150 2.761 ( -1.187 1.678 -2.972) 3.614 2.892 ( 4.033 -3.620 -1.912) 5.747 3.140 ( 0.325 3.328 4.611) 5.696 3.254 ( 4.264 -3.651 8.886) 10.510 3.451 ( 2.983 1.985 -1.852) 4.034 3.554 ( 1.654 -0.891 -2.779) 3.354 3.649 ( 1.122 2.465 3.344) 4.303 3.938 ( 0.949 1.885 1.026) 2.346 3.976 ( 0.583 -2.309 4.400) 5.003 4.091 ( 1.877 2.086 1.164) 3.038 4.436 ( 4.880 -1.735 -1.628) 5.429 4.642 ( 1.866 1.183 1.952) 2.948 4.888 ( -1.884 1.396 -4.754) 5.301 4.925 ( 2.151 -1.783 -1.887) 3.371 5.292 ( 4.753 -0.523 -1.804) 5.111 5.565 ( -2.646 0.716 1.995) 3.390 5.875 ( -0.953 -1.265 -1.529) 2.201 6.005 ( -1.812 0.073 0.876) 2.014 8.189 ( 0.339 -0.128 0.784) 0.864 8.238 ( -0.093 0.480 1.224) 1.318 8.357 ( -13.957 -0.169 -0.416) 13.964 8.386 ( -12.953 -0.180 -0.019) 12.955 8.887 ( 11.778 1.073 -0.614) 11.843 8.958 ( 4.855 -1.059 0.352) 4.982 8.996 ( 6.705 -0.000 -1.272) 6.824 9.164 ( 0.634 0.228 1.721) 1.848 9.894 ( -3.349 -0.315 -1.020) 3.515 10.047 ( 3.222 0.258 1.677) 3.642 10.161 ( -5.840 0.247 0.746) 5.893 10.475 ( -0.365 -0.737 3.603) 3.696 10.500 ( -2.113 -0.179 -5.749) 6.128 10.983 ( 0.612 -0.951 4.414) 4.556 11.221 ( 0.172 3.045 -4.001) 5.031 11.434 ( 0.031 -1.602 0.595) 1.710 ======================= Grid point 187 (77/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 4.186 -0.000 -4.919) 6.459 0.821 ( -2.295 -0.000 -1.214) 2.596 0.952 ( 4.034 -0.000 0.443) 4.058 1.250 ( -0.413 -0.000 -1.751) 1.799 1.322 ( 2.726 0.000 2.738) 3.864 1.447 ( -0.290 0.000 0.768) 0.821 1.496 ( 1.773 0.000 1.285) 2.190 1.505 ( 5.130 -0.000 0.114) 5.131 1.589 ( 12.230 -0.000 0.638) 12.246 1.591 ( -5.374 -0.000 -5.857) 7.949 1.942 ( 2.051 0.000 1.834) 2.751 2.001 ( 4.891 -0.000 -2.165) 5.349 2.027 ( -5.505 0.000 0.629) 5.541 2.085 ( -2.728 -0.000 -5.408) 6.057 2.233 ( 2.481 -0.000 0.040) 2.481 2.320 ( -6.596 0.000 6.560) 9.303 2.417 ( -0.417 -0.000 -1.643) 1.695 2.503 ( 8.505 -0.000 -0.979) 8.562 2.530 ( -2.129 -0.000 -3.596) 4.179 2.673 ( -9.033 0.000 3.003) 9.519 2.705 ( 7.570 -0.000 -1.949) 7.817 2.781 ( 1.582 -0.000 -3.105) 3.485 3.184 ( 4.346 0.000 7.614) 8.767 3.202 ( -1.828 0.000 2.172) 2.839 3.440 ( -0.847 -0.000 -1.508) 1.729 3.618 ( -11.279 -0.000 -2.210) 11.494 3.700 ( -2.890 0.000 1.597) 3.302 3.896 ( 0.583 -0.000 -4.219) 4.259 4.022 ( 0.927 0.000 10.389) 10.430 4.115 ( -1.932 0.000 0.563) 2.013 4.345 ( 2.816 -0.000 -1.508) 3.194 4.634 ( 0.803 0.000 1.900) 2.062 4.849 ( 2.656 -0.000 -0.918) 2.810 4.931 ( -3.148 -0.000 -3.110) 4.425 5.208 ( 2.416 -0.000 -2.582) 3.536 5.646 ( -4.315 0.000 1.968) 4.742 5.890 ( -2.225 -0.000 -1.792) 2.857 6.037 ( -1.397 0.000 -0.165) 1.406 8.201 ( -0.957 0.000 1.356) 1.660 8.251 ( -0.345 0.000 1.211) 1.259 8.357 ( 15.146 -0.000 -0.946) 15.175 8.375 ( 12.099 -0.000 -0.233) 12.101 8.874 ( -10.417 0.000 -0.499) 10.429 8.965 ( -7.984 0.000 1.247) 8.081 8.996 ( -4.827 -0.000 -1.686) 5.113 9.150 ( 1.780 0.000 0.856) 1.975 9.936 ( -1.968 -0.000 -0.273) 1.987 9.957 ( 6.029 -0.000 -0.479) 6.048 10.301 ( -6.572 0.000 4.945) 8.225 10.477 ( 2.137 0.000 4.074) 4.601 10.519 ( -3.886 -0.000 -7.401) 8.359 11.004 ( -1.249 0.000 3.120) 3.361 11.203 ( 1.318 -0.000 -3.474) 3.715 11.418 ( 1.178 0.000 0.940) 1.507 ======================= Grid point 188 (78/125) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 4.077 0.000 -0.000) 4.077 0.814 ( -2.906 -0.000 0.000) 2.906 0.955 ( 3.308 0.000 -0.000) 3.308 1.240 ( -0.229 -0.000 0.000) 0.229 1.336 ( 2.661 0.000 -0.000) 2.661 1.451 ( -0.209 -0.000 0.000) 0.209 1.507 ( 4.547 0.000 -0.000) 4.547 1.510 ( 3.141 0.000 -0.000) 3.141 1.552 ( -6.539 -0.000 0.000) 6.539 1.595 ( 14.762 0.000 -0.000) 14.762 1.955 ( -0.963 -0.000 0.000) 0.963 1.987 ( 8.634 0.000 -0.000) 8.634 2.034 ( -7.802 -0.000 0.000) 7.802 2.046 ( -2.781 -0.000 0.000) 2.781 2.236 ( 3.158 0.000 -0.000) 3.158 2.356 ( -4.281 -0.000 0.000) 4.281 2.418 ( -5.053 -0.000 0.000) 5.053 2.497 ( 8.781 0.000 -0.000) 8.781 2.501 ( -1.411 -0.000 0.000) 1.411 2.692 ( -9.533 -0.000 0.000) 9.533 2.695 ( 8.290 0.000 -0.000) 8.290 2.761 ( 2.180 0.000 -0.000) 2.180 3.214 ( -1.339 -0.000 0.000) 1.339 3.230 ( 5.114 0.000 -0.000) 5.114 3.428 ( -1.600 -0.000 0.000) 1.600 3.605 ( -11.883 -0.000 0.000) 11.883 3.713 ( -1.342 -0.000 0.000) 1.342 3.869 ( -0.661 -0.000 0.000) 0.661 4.095 ( -0.330 -0.000 0.000) 0.330 4.103 ( -0.535 -0.000 0.000) 0.535 4.338 ( 3.058 0.000 -0.000) 3.058 4.646 ( 0.986 0.000 -0.000) 0.986 4.844 ( 2.546 0.000 -0.000) 2.546 4.910 ( -4.460 -0.000 0.000) 4.460 5.195 ( 3.099 0.000 -0.000) 3.099 5.656 ( -4.441 -0.000 0.000) 4.441 5.880 ( -1.997 -0.000 0.000) 1.997 6.036 ( -1.037 -0.000 0.000) 1.037 8.209 ( -1.646 -0.000 0.000) 1.646 8.257 ( -0.614 -0.000 0.000) 0.614 8.351 ( 15.893 0.000 -0.000) 15.893 8.373 ( 12.257 0.000 -0.000) 12.257 8.872 ( -10.418 -0.000 0.000) 10.418 8.978 ( -10.641 -0.000 0.000) 10.641 8.981 ( -2.233 -0.000 0.000) 2.233 9.155 ( 1.966 0.000 -0.000) 1.966 9.935 ( -2.155 -0.000 0.000) 2.155 9.954 ( 6.187 0.000 -0.000) 6.187 10.337 ( -8.051 -0.000 0.000) 8.051 10.471 ( -2.729 -0.000 0.000) 2.729 10.499 ( 1.976 0.000 -0.000) 1.976 11.024 ( -1.317 -0.000 0.000) 1.317 11.181 ( 1.556 0.000 -0.000) 1.556 11.423 ( 1.065 0.000 -0.000) 1.065 ======================= Grid point 192 (79/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -0.000 10.193 6.002) 11.829 0.623 ( -0.000 7.422 11.776) 13.920 0.896 ( -0.000 0.726 1.522) 1.686 1.005 ( -0.000 14.032 1.859) 14.155 1.189 ( -0.000 7.414 -3.720) 8.295 1.190 ( 0.000 -2.672 1.610) 3.120 1.347 ( -0.000 4.377 3.229) 5.440 1.380 ( -0.000 9.107 -5.460) 10.618 1.520 ( -0.000 -0.160 6.288) 6.290 1.594 ( -0.000 0.312 1.274) 1.312 1.668 ( 0.000 -2.130 -0.796) 2.274 1.807 ( -0.000 3.008 4.518) 5.428 1.899 ( -0.000 4.662 1.665) 4.951 1.926 ( 0.000 -2.269 -9.104) 9.383 2.095 ( 0.000 0.099 -10.733) 10.733 2.296 ( -0.000 -1.641 4.218) 4.526 2.390 ( -0.000 0.641 1.738) 1.852 2.637 ( -0.000 6.543 11.317) 13.073 2.652 ( 0.000 -7.739 -7.092) 10.497 2.882 ( 0.000 -1.221 -3.212) 3.436 2.982 ( 0.000 -5.884 -10.652) 12.169 3.154 ( -0.000 4.665 -2.045) 5.094 3.154 ( -0.000 0.215 2.056) 2.067 3.397 ( 0.000 -3.603 -2.729) 4.520 3.622 ( -0.000 7.234 1.667) 7.423 3.683 ( -0.000 -1.663 8.506) 8.667 3.903 ( -0.000 -2.837 7.646) 8.155 4.014 ( 0.000 -0.576 0.667) 0.882 4.215 ( 0.000 3.323 -5.143) 6.123 4.293 ( 0.000 2.116 -3.585) 4.163 4.707 ( -0.000 6.119 -0.188) 6.122 4.843 ( -0.000 2.593 1.323) 2.911 4.859 ( 0.000 3.291 -7.049) 7.779 4.955 ( 0.000 -0.135 -0.956) 0.966 5.402 ( -0.000 0.907 3.823) 3.930 5.711 ( 0.000 -3.633 -4.317) 5.642 5.977 ( 0.000 -4.588 5.147) 6.895 6.095 ( 0.000 -8.927 5.121) 10.292 7.280 ( 0.000 -0.903 0.430) 1.000 7.339 ( 0.000 -1.703 -0.902) 1.927 8.292 ( 0.000 -0.926 0.764) 1.200 8.360 ( 0.000 -2.180 -0.725) 2.298 9.089 ( -0.000 1.739 1.102) 2.059 9.192 ( 0.000 -0.068 -1.500) 1.502 9.506 ( -0.000 0.977 3.507) 3.641 9.553 ( -0.000 3.337 -2.330) 4.070 9.629 ( 0.000 0.704 -2.088) 2.204 9.810 ( 0.000 -4.257 -5.155) 6.685 10.135 ( -0.000 2.750 4.319) 5.121 10.438 ( -0.000 -4.077 5.649) 6.966 10.598 ( -0.000 2.398 -1.756) 2.973 11.076 ( 0.000 -3.626 -7.213) 8.074 11.206 ( -0.000 2.349 3.036) 3.839 11.265 ( 0.000 -1.172 1.041) 1.568 ======================= Grid point 193 (80/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -1.137 5.686 3.032) 6.543 0.854 ( -5.532 1.508 3.374) 6.653 0.894 ( -2.303 5.455 5.266) 7.924 1.120 ( -0.591 9.558 -3.926) 10.350 1.228 ( -4.262 -0.814 3.305) 5.455 1.241 ( -2.413 6.456 -3.049) 7.536 1.414 ( -0.821 3.305 2.771) 4.390 1.464 ( -1.576 7.319 -1.956) 7.738 1.545 ( 1.172 -2.577 4.717) 5.502 1.603 ( -5.089 0.877 0.965) 5.253 1.661 ( -0.766 2.331 -0.602) 2.527 1.844 ( -1.183 -2.575 -7.711) 8.215 1.911 ( -2.655 -0.550 -5.671) 6.286 1.960 ( -2.817 0.291 3.934) 4.847 2.040 ( -2.350 -1.281 -7.355) 7.827 2.298 ( 0.612 -1.705 4.247) 4.617 2.383 ( 1.928 0.498 0.527) 2.060 2.553 ( 0.599 -4.446 -8.475) 9.589 2.735 ( 3.398 4.291 11.756) 12.968 2.827 ( 3.790 2.620 -2.227) 5.118 2.886 ( 0.510 -3.644 -4.508) 5.819 3.117 ( 4.128 -0.457 1.238) 4.334 3.189 ( 0.305 5.036 -1.599) 5.292 3.333 ( 2.913 -2.718 -1.734) 4.345 3.653 ( 4.402 6.508 4.178) 8.899 3.711 ( 1.214 -0.930 8.425) 8.563 3.897 ( 1.654 -3.295 5.849) 6.914 4.003 ( 1.070 -3.568 4.203) 5.616 4.181 ( 3.401 4.640 -8.633) 10.374 4.264 ( 3.090 2.945 -4.015) 5.860 4.717 ( 3.592 4.743 -0.826) 6.007 4.786 ( 5.143 3.299 -3.755) 7.172 4.869 ( 1.490 1.290 -1.487) 2.469 4.946 ( 0.020 0.781 -0.433) 0.893 5.426 ( 0.725 1.090 4.090) 4.295 5.648 ( 0.846 -3.754 -4.403) 5.848 5.965 ( -0.320 -4.939 3.781) 6.228 6.031 ( 1.086 -7.316 2.435) 7.786 7.393 ( -12.380 -0.717 0.011) 12.401 7.429 ( -11.852 -1.056 -0.567) 11.912 8.282 ( 0.815 -0.752 0.640) 1.281 8.322 ( 1.684 -1.799 -0.598) 2.536 9.085 ( 2.974 1.141 0.455) 3.217 9.152 ( 2.186 0.164 0.044) 2.193 9.510 ( 5.351 2.518 -0.739) 5.959 9.576 ( 5.259 0.570 -1.692) 5.554 9.611 ( -6.481 0.677 2.240) 6.891 9.778 ( -3.330 -3.554 -4.219) 6.444 10.193 ( -0.560 1.863 3.656) 4.141 10.441 ( -0.631 -2.092 1.839) 2.856 10.584 ( 2.282 0.018 -0.679) 2.382 11.025 ( -2.400 -3.079 -4.888) 6.256 11.194 ( 2.633 0.240 2.143) 3.403 11.322 ( -3.944 0.671 -0.383) 4.019 ======================= Grid point 194 (81/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -1.873 1.671 -0.590) 2.579 0.840 ( 0.971 0.817 -2.778) 3.054 1.130 ( -9.939 2.205 4.646) 11.191 1.197 ( -2.214 8.761 -1.767) 9.208 1.275 ( 1.447 1.249 2.633) 3.254 1.343 ( -3.949 3.360 -3.209) 6.098 1.379 ( 4.861 0.526 -1.738) 5.189 1.539 ( -2.283 0.749 0.007) 2.402 1.567 ( -2.442 -3.094 3.331) 5.160 1.701 ( -2.137 1.162 2.756) 3.676 1.741 ( -1.156 4.254 -0.187) 4.412 1.829 ( -9.049 -0.645 -5.125) 10.420 1.927 ( -3.196 -4.547 -7.115) 9.028 1.965 ( -5.854 0.194 -2.738) 6.466 2.157 ( -7.151 -1.055 3.330) 7.959 2.280 ( 3.221 -1.297 3.615) 5.013 2.326 ( 2.882 -1.228 -2.014) 3.725 2.467 ( 0.816 -2.397 -7.685) 8.091 2.698 ( 2.479 -2.835 2.502) 4.521 2.778 ( 5.581 6.101 -2.139) 8.541 2.856 ( 5.956 2.399 6.695) 9.277 3.023 ( 4.535 -0.500 -3.032) 5.478 3.212 ( 1.944 -1.338 1.096) 2.602 3.257 ( 2.201 4.616 1.322) 5.281 3.635 ( 5.679 4.051 5.724) 9.024 3.701 ( 3.873 -0.479 6.292) 7.404 3.845 ( 4.091 -3.360 2.684) 5.935 3.969 ( 1.434 -4.042 5.570) 7.030 4.089 ( 5.233 3.904 -9.104) 11.203 4.202 ( 5.015 3.794 -2.148) 6.645 4.648 ( 6.048 1.391 -1.453) 6.374 4.712 ( 4.347 3.328 -1.386) 5.647 4.832 ( 1.432 1.183 -3.584) 4.037 4.964 ( -0.667 1.081 0.338) 1.315 5.429 ( 2.273 0.657 3.163) 3.950 5.577 ( 1.461 -2.643 -3.140) 4.357 5.938 ( 0.588 -4.921 1.326) 5.130 5.980 ( -0.322 -4.043 1.199) 4.229 7.670 ( -19.072 -0.607 -0.504) 19.088 7.708 ( -18.899 0.194 0.148) 18.901 8.255 ( 1.837 -0.614 0.089) 1.939 8.277 ( 1.585 -0.822 0.144) 1.791 9.021 ( 3.909 0.318 -0.528) 3.957 9.142 ( 0.105 0.380 1.654) 1.700 9.382 ( 10.271 1.106 -0.828) 10.364 9.437 ( 10.182 0.679 -0.660) 10.226 9.738 ( -6.308 -0.991 -0.015) 6.385 9.837 ( -7.182 -0.705 -0.701) 7.251 10.209 ( 2.020 0.924 2.500) 3.345 10.438 ( 0.134 1.205 -3.681) 3.876 10.532 ( 0.792 -4.610 1.950) 5.068 11.044 ( -1.510 -0.847 1.267) 2.145 11.161 ( 1.074 0.284 -1.690) 2.022 11.387 ( -3.115 0.468 -0.835) 3.259 ======================= Grid point 195 (82/125) ======================= q-point: ( 0.78 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -1.502 0.123 -1.715) 2.283 0.821 ( -0.942 -1.064 -3.699) 3.963 1.185 ( 7.309 -2.379 -2.541) 8.096 1.278 ( 1.498 2.360 0.908) 2.939 1.318 ( -2.862 5.141 -0.416) 5.899 1.322 ( -4.691 0.890 1.402) 4.977 1.407 ( -3.462 0.993 -3.014) 4.696 1.574 ( -0.747 -2.055 2.345) 3.206 1.602 ( -3.895 -1.954 0.369) 4.373 1.686 ( 1.656 1.478 0.485) 2.272 1.838 ( -3.233 1.970 -0.109) 3.788 1.907 ( -4.473 -2.544 -0.470) 5.167 2.039 ( -4.525 0.802 -2.137) 5.068 2.052 ( -4.527 -0.635 -1.334) 4.762 2.201 ( 3.408 1.744 1.015) 3.960 2.224 ( -2.444 0.111 -1.259) 2.752 2.353 ( -5.460 -0.426 1.798) 5.764 2.429 ( -5.573 -5.257 -4.358) 8.814 2.644 ( 5.556 1.526 0.827) 5.821 2.711 ( 5.484 3.018 -1.839) 6.524 2.739 ( 8.156 -0.814 2.777) 8.654 2.951 ( 1.105 -2.145 -2.537) 3.501 3.157 ( 1.925 0.422 1.784) 2.658 3.318 ( 0.092 4.964 4.335) 6.591 3.557 ( 7.082 -2.375 2.158) 7.775 3.641 ( 6.156 0.556 2.874) 6.816 3.732 ( 7.074 0.927 3.401) 7.903 3.938 ( 2.939 2.178 -5.964) 6.996 4.017 ( -0.143 -1.663 3.581) 3.951 4.136 ( 4.683 2.931 0.073) 5.525 4.537 ( 5.835 -0.664 -0.940) 5.947 4.675 ( 2.748 2.654 1.132) 3.985 4.813 ( -1.220 0.708 -5.217) 5.404 4.969 ( 1.126 -0.419 -0.038) 1.203 5.379 ( 4.388 -0.872 0.394) 4.491 5.541 ( -0.092 0.205 -0.151) 0.271 5.889 ( 0.656 -3.558 -0.269) 3.628 5.983 ( -1.489 -1.157 0.804) 2.050 8.025 ( -20.659 -0.176 -0.301) 20.662 8.062 ( -19.460 0.725 0.326) 19.477 8.218 ( 1.502 -0.381 0.071) 1.552 8.256 ( 0.386 -0.351 0.458) 0.694 8.965 ( 2.220 0.332 -0.675) 2.344 9.141 ( 7.591 -0.195 1.897) 7.827 9.180 ( 6.637 0.478 -1.190) 6.759 9.227 ( 13.128 0.334 0.130) 13.133 9.822 ( -4.843 -1.136 -0.786) 5.036 9.988 ( -8.477 1.005 1.658) 8.696 10.162 ( 4.268 -0.040 0.322) 4.280 10.425 ( -0.509 1.657 -5.024) 5.315 10.515 ( -1.233 -4.412 3.291) 5.641 11.044 ( 2.268 -0.860 4.487) 5.101 11.161 ( -1.571 2.256 -4.303) 5.106 11.429 ( -1.807 -0.467 -0.268) 1.886 ======================= Grid point 196 (83/125) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -1.959 -0.188 -1.118) 2.263 0.810 ( -0.909 -2.489 -2.652) 3.749 1.034 ( 5.761 -0.925 -1.138) 5.945 1.251 ( 1.100 -0.204 -0.496) 1.224 1.359 ( 1.771 3.460 1.295) 4.096 1.423 ( -2.875 1.515 0.090) 3.251 1.458 ( -4.162 -1.048 -1.156) 4.445 1.557 ( 1.375 -1.802 0.698) 2.372 1.585 ( 3.231 -1.033 -0.625) 3.450 1.767 ( 0.712 -0.468 7.231) 7.281 1.860 ( -5.828 1.680 -7.237) 9.442 1.936 ( -1.069 -1.687 -0.294) 2.019 2.027 ( 0.200 0.225 -3.096) 3.111 2.087 ( 2.395 0.659 2.187) 3.310 2.226 ( -3.892 3.122 1.482) 5.205 2.279 ( -0.890 0.261 -0.175) 0.944 2.457 ( -4.374 -0.700 0.009) 4.430 2.486 ( 3.173 1.690 -1.805) 4.023 2.528 ( -0.099 -3.426 -0.599) 3.479 2.598 ( 1.581 -1.128 1.268) 2.319 2.739 ( -2.637 0.644 -1.051) 2.910 2.877 ( 4.977 -2.694 -0.736) 5.707 3.174 ( -0.492 2.852 1.657) 3.334 3.344 ( 5.079 -2.032 7.555) 9.327 3.415 ( 2.701 1.208 -4.861) 5.691 3.529 ( 2.636 -1.432 -1.533) 3.369 3.700 ( 2.880 3.433 4.735) 6.520 3.875 ( 0.760 0.943 -5.749) 5.875 4.062 ( -1.662 -0.787 5.271) 5.582 4.100 ( 1.720 2.219 0.222) 2.816 4.425 ( 4.983 -1.905 -0.398) 5.349 4.662 ( 2.008 1.899 1.415) 3.105 4.837 ( -4.056 -0.142 -3.440) 5.320 4.913 ( 3.588 -1.417 -0.513) 3.892 5.281 ( 5.317 -0.778 -0.439) 5.391 5.580 ( -3.061 1.007 0.682) 3.294 5.864 ( -0.615 -1.476 -0.548) 1.691 6.011 ( -1.564 0.086 0.285) 1.592 8.196 ( 0.273 0.044 0.370) 0.462 8.247 ( -0.157 0.633 0.442) 0.787 8.354 ( -14.060 -0.202 -0.150) 14.063 8.386 ( -12.883 -0.266 -0.042) 12.886 8.882 ( 11.959 0.981 -0.225) 12.002 8.961 ( 0.875 -1.327 0.065) 1.591 8.988 ( 10.559 0.278 -0.372) 10.570 9.176 ( 0.680 0.319 0.604) 0.964 9.887 ( -3.518 -0.362 -0.345) 3.553 10.058 ( 5.330 0.148 0.369) 5.345 10.175 ( -8.656 0.536 1.190) 8.754 10.436 ( -1.886 0.863 -3.202) 3.815 10.518 ( -0.210 -2.027 1.880) 2.773 11.020 ( 1.145 -0.806 2.198) 2.606 11.185 ( -0.206 2.761 -2.174) 3.520 11.439 ( -0.211 -1.256 0.193) 1.288 ======================= Grid point 202 (84/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.000 6.074 10.446) 12.083 0.752 ( 0.000 3.967 11.675) 12.331 0.907 ( 0.000 1.845 0.142) 1.851 1.015 ( 0.000 9.883 -0.626) 9.903 1.150 ( 0.000 8.231 -3.293) 8.866 1.178 ( 0.000 -1.396 -3.701) 3.955 1.358 ( -0.000 7.891 1.434) 8.020 1.379 ( -0.000 4.245 2.589) 4.972 1.583 ( 0.000 -1.459 4.945) 5.156 1.614 ( -0.000 -0.380 3.391) 3.413 1.658 ( -0.000 -1.766 -0.981) 2.020 1.794 ( -0.000 -0.216 -3.240) 3.247 1.826 ( 0.000 -2.323 -9.210) 9.498 1.970 ( 0.000 -2.524 -12.073) 12.334 2.005 ( 0.000 3.690 14.529) 14.990 2.337 ( -0.000 -1.330 3.186) 3.452 2.403 ( -0.000 -0.399 0.509) 0.647 2.539 ( 0.000 -5.360 -13.557) 14.578 2.762 ( -0.000 11.610 10.442) 15.615 2.867 ( -0.000 -3.437 1.659) 3.816 2.894 ( -0.000 -4.834 -5.831) 7.574 3.118 ( -0.000 6.868 -4.500) 8.211 3.185 ( 0.000 -0.431 3.333) 3.361 3.352 ( 0.000 -2.081 -5.565) 5.942 3.656 ( 0.000 8.036 4.239) 9.085 3.744 ( -0.000 3.335 2.555) 4.201 3.980 ( -0.000 -3.139 6.799) 7.489 4.043 ( -0.000 0.476 4.716) 4.740 4.160 ( -0.000 -0.886 -5.071) 5.148 4.246 ( -0.000 1.502 -5.277) 5.487 4.701 ( -0.000 5.529 -0.515) 5.553 4.787 ( -0.000 3.946 -6.224) 7.370 4.862 ( 0.000 1.829 2.261) 2.908 4.940 ( 0.000 0.294 -1.767) 1.791 5.454 ( -0.000 -0.095 5.735) 5.736 5.658 ( 0.000 -3.242 -5.644) 6.509 6.036 ( -0.000 -5.936 5.482) 8.080 6.129 ( 0.000 -9.376 1.338) 9.471 7.286 ( 0.000 -0.785 0.776) 1.104 7.326 ( -0.000 -1.338 -1.371) 1.916 8.304 ( -0.000 -1.182 1.358) 1.800 8.350 ( -0.000 -1.963 -1.114) 2.258 9.104 ( 0.000 1.568 1.638) 2.268 9.172 ( 0.000 0.496 -2.137) 2.193 9.541 ( -0.000 2.940 -0.010) 2.940 9.550 ( -0.000 0.018 4.640) 4.640 9.605 ( -0.000 0.905 -2.294) 2.466 9.748 ( -0.000 -3.388 -6.246) 7.106 10.190 ( -0.000 3.177 5.958) 6.752 10.421 ( -0.000 2.700 -6.532) 7.068 10.657 ( 0.000 -5.572 10.264) 11.679 10.990 ( -0.000 -5.154 -8.792) 10.191 11.234 ( -0.000 2.411 2.248) 3.296 11.271 ( -0.000 0.160 0.028) 0.162 ======================= Grid point 203 (85/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 1.669 3.138 5.824) 6.823 0.852 ( 2.209 1.139 -2.272) 3.368 0.972 ( -7.555 3.187 6.934) 10.738 1.085 ( -0.759 9.450 -1.938) 9.676 1.201 ( -1.939 8.125 -4.324) 9.406 1.264 ( -6.356 0.567 2.824) 6.978 1.420 ( 0.795 2.483 -1.307) 2.917 1.472 ( -2.656 5.791 2.865) 6.986 1.573 ( -0.221 -2.227 1.011) 2.455 1.629 ( -2.678 -1.000 1.724) 3.338 1.670 ( -1.822 0.161 3.332) 3.801 1.771 ( -1.982 -2.464 -4.984) 5.903 1.845 ( -4.856 -2.322 -6.210) 8.218 1.890 ( -1.729 -3.327 -9.200) 9.935 2.103 ( -2.174 0.193 11.407) 11.614 2.336 ( 0.047 -1.799 2.513) 3.090 2.380 ( 2.305 -1.174 -1.654) 3.070 2.437 ( 0.256 -1.632 -11.189) 11.310 2.802 ( 3.509 -2.277 0.631) 4.230 2.806 ( 2.978 1.472 -1.427) 3.616 2.920 ( 2.058 6.086 9.373) 11.363 3.131 ( 5.423 -0.614 1.140) 5.576 3.167 ( 0.174 8.383 -2.512) 8.752 3.303 ( 1.356 -1.837 -3.514) 4.191 3.704 ( 4.006 6.930 4.899) 9.385 3.774 ( 1.553 2.323 3.051) 4.137 3.958 ( 2.829 -3.770 5.296) 7.090 4.052 ( 1.048 -3.846 3.407) 5.244 4.099 ( 3.746 2.911 -4.943) 6.851 4.214 ( 1.757 2.461 -5.210) 6.024 4.709 ( 3.608 4.312 -0.538) 5.648 4.744 ( 4.135 3.715 -3.592) 6.618 4.861 ( 2.894 0.741 -0.198) 2.994 4.940 ( -0.594 1.386 -0.507) 1.591 5.476 ( 0.717 -0.427 5.073) 5.141 5.597 ( 0.552 -2.828 -5.093) 5.852 6.004 ( 0.327 -6.286 3.438) 7.173 6.045 ( 1.143 -7.731 0.145) 7.816 7.393 ( -11.809 -0.859 0.096) 11.840 7.423 ( -12.232 -0.503 -0.487) 12.252 8.290 ( 1.185 -0.916 0.897) 1.745 8.315 ( 1.432 -1.506 -0.800) 2.227 9.090 ( 3.821 0.916 0.399) 3.950 9.151 ( 0.883 0.629 -0.149) 1.095 9.508 ( 5.404 1.758 0.246) 5.688 9.557 ( 4.876 1.146 -1.652) 5.274 9.640 ( -5.721 -0.608 3.028) 6.502 9.731 ( -4.533 -2.388 -4.254) 6.659 10.243 ( 1.160 2.894 5.526) 6.345 10.402 ( 0.770 2.970 -6.482) 7.171 10.630 ( 2.486 -6.493 6.218) 9.327 10.965 ( -6.012 -3.518 -5.513) 8.883 11.216 ( 3.186 0.012 1.520) 3.530 11.318 ( -2.914 1.659 -0.307) 3.367 ======================= Grid point 204 (86/125) ======================= q-point: ( 0.78 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -0.146 0.722 0.906) 1.167 0.810 ( 1.527 1.352 -2.179) 2.984 1.147 ( -9.216 0.028 -0.429) 9.226 1.215 ( -2.279 10.360 3.571) 11.193 1.288 ( -1.838 6.657 -1.830) 7.145 1.324 ( 1.147 -2.452 1.692) 3.192 1.354 ( 4.572 -1.275 -2.927) 5.576 1.548 ( -3.326 0.711 1.195) 3.605 1.577 ( -0.911 -2.391 -0.689) 2.650 1.730 ( 1.211 1.246 1.914) 2.585 1.768 ( -3.894 0.895 4.180) 5.783 1.784 ( -11.962 0.390 -1.890) 12.116 1.850 ( -5.843 -3.692 -6.943) 9.797 1.947 ( -7.107 -0.284 -0.802) 7.158 2.210 ( -3.490 -2.622 6.366) 7.719 2.280 ( 1.818 -3.174 -5.725) 6.794 2.324 ( 2.126 -0.624 3.993) 4.567 2.383 ( 0.115 -0.841 -6.643) 6.697 2.725 ( 2.839 -2.925 1.980) 4.532 2.759 ( 5.843 6.021 -1.317) 8.493 2.927 ( 5.559 2.181 5.713) 8.265 2.984 ( 7.468 -0.040 -4.022) 8.482 3.221 ( 2.712 -2.329 0.514) 3.612 3.267 ( -0.143 9.174 0.393) 9.184 3.687 ( 5.359 2.395 3.137) 6.656 3.753 ( 4.189 1.039 3.019) 5.267 3.875 ( 6.532 -0.659 3.026) 7.229 3.961 ( 4.482 -0.883 -6.100) 7.621 4.053 ( 1.594 -1.323 2.072) 2.930 4.181 ( 3.201 3.651 -1.548) 5.096 4.636 ( 5.984 1.298 -0.698) 6.163 4.703 ( 3.445 4.467 -0.345) 5.652 4.801 ( 2.498 -0.130 -1.726) 3.039 4.966 ( -0.702 1.250 0.103) 1.437 5.460 ( 2.742 -1.602 2.022) 3.765 5.548 ( 0.724 -0.767 -1.973) 2.238 5.949 ( 1.265 -5.996 0.554) 6.153 5.988 ( -0.483 -3.891 0.393) 3.941 7.667 ( -19.037 -0.599 -0.199) 19.047 7.709 ( -18.946 0.419 0.053) 18.951 8.256 ( 2.065 -0.584 0.063) 2.147 8.278 ( 1.282 -0.657 0.039) 1.441 9.018 ( 4.135 0.246 -0.173) 4.146 9.155 ( -0.334 0.629 0.634) 0.953 9.376 ( 10.394 0.528 -0.318) 10.412 9.432 ( 9.843 1.030 -0.282) 9.901 9.738 ( -5.635 -1.867 -0.064) 5.937 9.832 ( -8.490 0.076 -0.246) 8.494 10.240 ( 4.223 2.086 2.487) 5.326 10.384 ( 0.231 2.313 -3.953) 4.586 10.565 ( 0.200 -6.888 2.203) 7.234 11.044 ( -5.386 -0.190 -0.501) 5.412 11.153 ( 3.746 -0.729 -0.079) 3.817 11.381 ( -2.846 1.093 -0.323) 3.066 ======================= Grid point 205 (87/125) ======================= q-point: (-0.11 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -1.152 -0.048 0.000) 1.153 0.798 ( -0.882 -1.407 -0.000) 1.660 1.169 ( 7.461 -3.338 -0.000) 8.174 1.281 ( 2.037 0.650 0.000) 2.138 1.316 ( -6.439 3.370 0.000) 7.267 1.337 ( -0.085 5.873 0.000) 5.873 1.387 ( -5.223 -0.374 0.000) 5.236 1.589 ( -1.239 -3.089 -0.000) 3.329 1.604 ( -3.684 -1.210 -0.000) 3.878 1.690 ( 1.412 2.111 0.000) 2.540 1.832 ( -1.071 1.384 0.000) 1.750 1.909 ( -5.207 -2.065 -0.000) 5.601 2.025 ( -3.289 0.754 0.000) 3.374 2.046 ( -7.888 -1.222 0.000) 7.982 2.207 ( 4.963 1.325 0.000) 5.137 2.215 ( -2.841 0.359 0.000) 2.864 2.370 ( -3.097 -0.179 0.000) 3.102 2.395 ( -9.314 -5.482 -0.000) 10.807 2.660 ( 9.921 5.053 0.000) 11.133 2.686 ( 0.537 -0.478 -0.000) 0.719 2.760 ( 10.524 -1.764 -0.000) 10.671 2.936 ( 0.505 -1.143 -0.000) 1.250 3.166 ( 1.553 0.653 0.000) 1.684 3.342 ( -0.143 6.466 0.000) 6.467 3.568 ( 7.863 -4.162 -0.000) 8.897 3.654 ( 7.769 -1.461 -0.000) 7.905 3.779 ( 8.045 6.042 0.000) 10.061 3.869 ( 2.194 0.457 0.000) 2.241 4.050 ( -1.674 -1.629 -0.000) 2.335 4.136 ( 4.169 2.805 0.000) 5.024 4.532 ( 5.747 -0.620 -0.000) 5.780 4.685 ( 2.806 3.809 0.000) 4.731 4.779 ( -1.393 -0.680 -0.000) 1.551 4.968 ( 1.320 -0.459 -0.000) 1.397 5.381 ( 4.668 -1.613 -0.000) 4.939 5.541 ( -0.486 0.861 0.000) 0.989 5.887 ( 0.828 -3.783 -0.000) 3.872 5.987 ( -1.453 -1.171 -0.000) 1.866 8.023 ( -20.674 -0.133 0.000) 20.675 8.064 ( -19.564 0.815 0.000) 19.581 8.218 ( 1.548 -0.362 -0.000) 1.590 8.259 ( 0.328 -0.311 -0.000) 0.452 8.961 ( 2.249 0.275 -0.000) 2.265 9.155 ( 14.041 -0.531 -0.000) 14.051 9.170 ( 0.317 0.865 0.000) 0.922 9.228 ( 12.913 0.339 -0.000) 12.918 9.818 ( -4.857 -1.207 -0.000) 5.005 9.997 ( -9.225 0.939 0.000) 9.273 10.166 ( 5.418 0.380 -0.000) 5.431 10.395 ( -0.784 1.448 0.000) 1.647 10.534 ( -1.248 -4.533 -0.000) 4.701 11.077 ( 3.365 -0.963 -0.000) 3.500 11.130 ( -2.855 2.231 0.000) 3.623 11.427 ( -1.863 -0.215 0.000) 1.876 ======================= Grid point 213 (88/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 2.433 9.657) 9.959 0.841 ( 0.000 -0.967 0.862) 1.295 0.911 ( -0.000 6.806 4.189) 7.992 0.982 ( -0.000 6.970 -5.752) 9.037 1.126 ( -0.000 7.134 -0.742) 7.173 1.138 ( -0.000 3.458 -2.819) 4.461 1.386 ( -0.000 5.504 2.483) 6.038 1.397 ( -0.000 4.587 0.458) 4.610 1.620 ( 0.000 -1.029 2.827) 3.008 1.645 ( 0.000 -1.133 -1.673) 2.020 1.673 ( 0.000 -2.020 6.159) 6.481 1.738 ( -0.000 -2.302 -6.921) 7.293 1.780 ( 0.000 -2.097 1.928) 2.849 1.848 ( -0.000 -3.524 -9.939) 10.545 2.175 ( 0.000 -0.208 16.682) 16.683 2.338 ( 0.000 -3.567 -8.946) 9.631 2.401 ( 0.000 -0.339 -0.844) 0.909 2.402 ( 0.000 -0.288 -5.499) 5.507 2.822 ( -0.000 2.921 2.401) 3.781 2.849 ( 0.000 -2.385 -3.076) 3.892 2.946 ( -0.000 5.386 10.860) 12.122 3.052 ( 0.000 8.238 -8.190) 11.616 3.227 ( -0.000 -1.061 4.608) 4.729 3.286 ( -0.000 -1.514 -6.240) 6.421 3.705 ( -0.000 8.349 4.454) 9.463 3.743 ( -0.000 7.263 -2.269) 7.609 4.048 ( 0.000 -3.454 5.819) 6.767 4.101 ( 0.000 -3.338 -0.310) 3.352 4.112 ( -0.000 0.606 2.152) 2.236 4.182 ( 0.000 0.886 -6.573) 6.632 4.703 ( -0.000 4.793 1.183) 4.936 4.731 ( 0.000 4.233 -4.020) 5.838 4.889 ( -0.000 1.207 2.699) 2.957 4.917 ( -0.000 0.729 -2.458) 2.564 5.521 ( -0.000 -1.330 6.639) 6.771 5.592 ( -0.000 -2.452 -6.520) 6.966 6.089 ( 0.000 -7.314 4.376) 8.523 6.125 ( -0.000 -8.558 -2.040) 8.798 7.297 ( -0.000 -0.786 1.162) 1.403 7.311 ( -0.000 -0.978 -1.430) 1.733 8.320 ( -0.000 -1.461 1.577) 2.150 8.336 ( -0.000 -1.720 -1.443) 2.246 9.124 ( -0.000 1.335 2.084) 2.475 9.148 ( -0.000 0.994 -2.307) 2.512 9.550 ( -0.000 2.028 1.628) 2.600 9.571 ( -0.000 1.117 -1.931) 2.231 9.615 ( -0.000 -0.909 5.398) 5.474 9.680 ( 0.000 -2.279 -6.413) 6.805 10.261 ( -0.000 3.580 7.138) 7.986 10.341 ( -0.000 3.738 -7.743) 8.598 10.775 ( -0.000 -6.796 11.077) 12.996 10.889 ( 0.000 -6.274 -10.128) 11.914 11.254 ( -0.000 1.992 1.506) 2.497 11.267 ( -0.000 1.204 -0.799) 1.445 ======================= Grid point 214 (89/125) ======================= q-point: (-0.22 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 3.030 0.565 0.000) 3.083 0.828 ( 3.225 3.036 0.000) 4.429 1.011 ( -6.107 -0.261 0.000) 6.113 1.083 ( -3.488 10.901 0.000) 11.445 1.167 ( -1.135 9.041 0.000) 9.112 1.280 ( -7.557 2.333 0.000) 7.909 1.411 ( 1.175 1.080 0.000) 1.596 1.492 ( -1.112 5.483 0.000) 5.595 1.582 ( -3.680 -1.180 -0.000) 3.865 1.622 ( 2.162 -2.713 -0.000) 3.469 1.730 ( -3.272 -1.556 -0.000) 3.623 1.732 ( -3.831 -1.749 -0.000) 4.212 1.789 ( -2.310 -3.959 -0.000) 4.584 1.839 ( -4.904 -1.656 -0.000) 5.176 2.201 ( -0.877 -3.312 -0.000) 3.426 2.308 ( -1.531 -1.878 -0.000) 2.423 2.367 ( 1.662 -1.568 -0.000) 2.285 2.386 ( 1.956 1.554 0.000) 2.498 2.797 ( 3.342 2.629 0.000) 4.252 2.804 ( 1.856 -3.919 -0.000) 4.337 2.988 ( 4.852 5.577 0.000) 7.392 3.138 ( 6.309 -0.952 -0.000) 6.380 3.146 ( -1.022 12.133 0.000) 12.176 3.279 ( 0.178 -2.100 -0.000) 2.108 3.738 ( 3.895 6.685 0.000) 7.737 3.784 ( 1.533 4.907 0.000) 5.141 4.000 ( 4.256 -3.329 -0.000) 5.403 4.033 ( 2.404 -3.704 -0.000) 4.415 4.112 ( 2.758 -0.276 -0.000) 2.772 4.171 ( 0.157 2.964 0.000) 2.968 4.709 ( 4.222 3.260 0.000) 5.334 4.720 ( 3.040 4.874 0.000) 5.744 4.861 ( 3.691 0.280 -0.000) 3.701 4.937 ( -0.981 1.708 0.000) 1.969 5.522 ( 1.383 -2.287 -0.000) 2.673 5.551 ( -0.219 -1.207 -0.000) 1.227 6.033 ( 1.076 -7.809 -0.000) 7.883 6.036 ( 0.614 -6.796 -0.000) 6.824 7.394 ( -11.483 -0.999 0.000) 11.527 7.420 ( -12.489 -0.197 0.000) 12.491 8.298 ( 1.647 -1.090 -0.000) 1.975 8.308 ( 1.025 -1.288 -0.000) 1.646 9.092 ( 4.263 0.789 0.000) 4.335 9.150 ( 0.260 0.875 0.000) 0.912 9.511 ( 5.616 1.118 0.000) 5.726 9.547 ( 4.505 1.638 0.000) 4.793 9.666 ( -4.038 -2.193 -0.000) 4.595 9.698 ( -6.298 -0.831 0.000) 6.352 10.292 ( 3.039 3.618 0.000) 4.725 10.347 ( -0.395 3.157 0.000) 3.182 10.671 ( 3.976 -7.801 -0.000) 8.756 10.929 ( -8.139 -3.410 -0.000) 8.824 11.224 ( 3.218 -0.058 -0.000) 3.219 11.317 ( -2.586 1.990 0.000) 3.263 ======================= Grid point 220 (90/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 1.907 -0.000 1.131) 2.217 0.879 ( 3.418 0.000 0.097) 3.419 1.007 ( 7.631 0.000 7.366) 10.606 1.228 ( 3.524 -0.000 -5.408) 6.455 1.310 ( -1.072 -0.000 3.444) 3.607 1.412 ( -0.726 0.000 -2.414) 2.521 1.498 ( 1.714 -0.000 1.084) 2.028 1.523 ( 3.175 0.000 0.670) 3.245 1.615 ( 6.456 0.000 4.795) 8.042 1.753 ( -3.603 0.000 7.174) 8.028 1.892 ( 3.401 -0.000 -2.545) 4.248 2.012 ( -4.763 -0.000 -0.787) 4.828 2.040 ( -4.377 0.000 -0.191) 4.382 2.075 ( 3.723 0.000 -5.626) 6.746 2.183 ( -1.943 -0.000 -1.536) 2.476 2.306 ( -1.089 -0.000 1.482) 1.840 2.498 ( -0.209 -0.000 -1.352) 1.368 2.508 ( 3.565 0.000 4.617) 5.833 2.564 ( -0.720 0.000 0.974) 1.211 2.646 ( -0.530 -0.000 1.769) 1.846 2.782 ( 5.167 -0.000 4.129) 6.614 2.868 ( 2.816 0.000 3.617) 4.584 2.993 ( 0.107 -0.000 -6.291) 6.292 3.130 ( -4.048 0.000 -4.441) 6.009 3.449 ( 0.574 0.000 0.700) 0.905 3.657 ( -3.732 -0.000 -3.183) 4.905 3.701 ( -6.446 -0.000 1.121) 6.542 3.740 ( -3.855 -0.000 -9.651) 10.392 3.978 ( 1.715 0.000 2.757) 3.247 4.065 ( -1.557 0.000 -3.149) 3.513 4.417 ( 2.196 0.000 4.949) 5.414 4.573 ( 1.317 0.000 -3.788) 4.010 4.885 ( 2.951 -0.000 2.353) 3.774 4.960 ( 1.389 0.000 -1.097) 1.770 5.330 ( -0.952 -0.000 7.985) 8.042 5.565 ( -3.460 -0.000 -5.503) 6.500 5.952 ( -3.411 -0.000 3.460) 4.859 6.032 ( -3.157 0.000 -0.988) 3.308 8.173 ( 0.777 0.000 -0.594) 0.978 8.209 ( 0.707 -0.000 -2.268) 2.375 8.378 ( 12.968 0.000 0.677) 12.986 8.381 ( 11.782 -0.000 0.272) 11.785 8.894 ( -10.341 0.000 1.257) 10.417 8.939 ( -9.403 -0.000 -1.325) 9.496 9.040 ( -2.776 -0.000 2.325) 3.621 9.117 ( 0.439 -0.000 -2.144) 2.188 9.950 ( -0.634 0.000 1.003) 1.186 9.971 ( 4.205 -0.000 0.427) 4.227 10.223 ( -2.968 0.000 -1.215) 3.207 10.342 ( 2.253 0.000 -7.131) 7.478 10.703 ( -4.444 -0.000 8.661) 9.735 10.921 ( -2.376 0.000 -4.670) 5.240 11.284 ( 1.504 -0.000 3.514) 3.823 11.381 ( 1.770 0.000 -2.440) 3.015 ======================= Grid point 230 (91/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.241 1.292 2.979) 3.256 0.920 ( -0.289 -1.229 0.881) 1.539 1.157 ( 4.837 0.864 3.872) 6.255 1.242 ( 1.378 0.979 -3.770) 4.132 1.313 ( -0.416 0.141 2.699) 2.735 1.380 ( -1.237 0.184 -2.591) 2.877 1.518 ( 0.600 0.830 2.076) 2.315 1.558 ( 0.325 -0.180 -1.353) 1.403 1.700 ( 0.925 1.679 4.677) 5.055 1.755 ( -2.840 -1.778 6.953) 7.718 1.907 ( -5.332 0.382 -2.665) 5.972 1.941 ( 0.584 -1.277 -0.040) 1.405 1.948 ( 1.384 -0.589 1.070) 1.846 2.114 ( 6.307 5.738 -7.388) 11.282 2.223 ( -0.026 0.401 -2.139) 2.176 2.251 ( 0.521 -1.298 -0.839) 1.631 2.393 ( -7.411 1.151 0.914) 7.556 2.486 ( -9.795 -3.800 -1.043) 10.558 2.638 ( 6.845 0.585 5.901) 9.056 2.691 ( 2.090 -0.208 4.271) 4.760 2.831 ( -0.168 6.318 3.132) 7.053 2.955 ( 0.790 -4.916 2.701) 5.664 2.989 ( 3.406 1.190 -5.887) 6.904 3.098 ( 0.431 -7.417 -6.060) 9.588 3.461 ( 1.993 4.145 1.215) 4.757 3.601 ( -1.456 3.471 1.360) 4.002 3.646 ( 0.740 -0.898 -1.103) 1.603 3.669 ( 1.340 -3.818 -9.379) 10.215 4.029 ( 3.626 2.111 0.194) 4.200 4.078 ( 3.924 -1.951 0.241) 4.389 4.507 ( 4.462 -0.299 4.572) 6.395 4.594 ( 3.286 0.507 -3.017) 4.490 4.943 ( 1.793 0.531 1.681) 2.514 4.966 ( -0.232 0.093 0.124) 0.280 5.368 ( 1.301 1.952 4.532) 5.104 5.500 ( -0.417 -1.419 -3.690) 3.976 5.921 ( -2.053 -0.464 2.480) 3.253 5.973 ( -2.406 -0.163 -2.024) 3.149 8.180 ( 0.482 -0.361 0.269) 0.659 8.203 ( 0.246 -0.035 -1.690) 1.708 8.369 ( -13.634 -0.031 0.628) 13.649 8.383 ( -13.277 -0.154 -0.384) 13.283 8.903 ( 10.737 1.770 0.722) 10.906 8.946 ( 10.501 -1.324 -0.623) 10.602 9.042 ( 1.919 -0.021 2.775) 3.374 9.110 ( 0.511 -0.207 -3.019) 3.069 9.929 ( -2.672 0.041 2.183) 3.450 9.989 ( -1.845 0.119 -3.051) 3.568 10.200 ( -0.109 -0.191 4.168) 4.174 10.334 ( 0.356 -1.550 -7.082) 7.258 10.677 ( -2.298 1.822 8.248) 8.753 10.868 ( -1.169 -2.245 -6.146) 6.647 11.298 ( 1.095 5.294 2.488) 5.951 11.415 ( 0.669 -3.798 -0.984) 3.980 ======================= Grid point 231 (92/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 3.666 -0.000 0.981) 3.794 0.872 ( 4.117 0.000 -0.997) 4.236 1.090 ( 6.478 0.000 7.582) 9.973 1.165 ( 4.841 -0.000 -6.388) 8.015 1.348 ( -1.132 -0.000 3.467) 3.647 1.383 ( -0.977 0.000 -3.081) 3.233 1.511 ( 1.814 -0.000 1.256) 2.206 1.522 ( 2.243 0.000 -0.720) 2.356 1.688 ( 4.030 0.000 8.051) 9.004 1.768 ( 1.659 -0.000 -5.331) 5.583 1.908 ( 1.111 -0.000 6.488) 6.583 1.986 ( 0.949 0.000 -6.093) 6.166 2.025 ( -3.450 0.000 -1.582) 3.795 2.027 ( -6.136 -0.000 -1.305) 6.273 2.210 ( -1.398 0.000 5.478) 5.653 2.277 ( -2.283 -0.000 -5.896) 6.323 2.502 ( 0.284 -0.000 1.754) 1.777 2.522 ( 2.533 0.000 -1.342) 2.867 2.605 ( 0.721 0.000 5.614) 5.660 2.651 ( 1.771 -0.000 -1.986) 2.660 2.822 ( 5.690 -0.000 3.536) 6.700 2.862 ( 6.324 0.000 -3.798) 7.377 2.999 ( -4.981 -0.000 6.211) 7.961 3.073 ( -4.983 0.000 -6.455) 8.154 3.476 ( 1.452 0.000 4.767) 4.983 3.558 ( 2.197 -0.000 -10.378) 10.608 3.711 ( -7.639 0.000 0.557) 7.659 3.712 ( -8.804 -0.000 0.155) 8.806 4.005 ( 0.716 -0.000 2.390) 2.495 4.032 ( -0.498 0.000 -2.799) 2.843 4.473 ( 2.097 0.000 5.315) 5.714 4.527 ( 1.808 -0.000 -4.736) 5.070 4.912 ( 2.802 -0.000 2.657) 3.862 4.940 ( 2.355 0.000 -2.382) 3.349 5.417 ( -2.017 -0.000 7.983) 8.233 5.498 ( -2.812 0.000 -6.960) 7.507 5.988 ( -3.790 -0.000 3.064) 4.873 6.016 ( -3.721 0.000 -2.107) 4.277 8.173 ( 1.041 0.000 0.693) 1.251 8.187 ( 1.001 -0.000 -1.780) 2.042 8.382 ( 12.345 0.000 0.235) 12.347 8.383 ( 11.954 -0.000 0.090) 11.955 8.909 ( -10.191 0.000 1.420) 10.289 8.924 ( -9.895 -0.000 -1.424) 9.997 9.066 ( -1.650 -0.000 2.495) 2.991 9.092 ( -0.557 -0.000 -2.446) 2.508 9.962 ( 0.555 0.000 1.067) 1.203 9.970 ( 2.299 -0.000 -0.474) 2.347 10.229 ( -0.587 -0.000 2.405) 2.475 10.272 ( 1.325 0.000 -5.533) 5.689 10.790 ( -4.005 -0.000 7.616) 8.605 10.864 ( -3.269 0.000 -6.091) 6.913 11.320 ( 1.818 -0.000 3.172) 3.656 11.352 ( 1.927 0.000 -2.878) 3.463 ======================= Grid point 240 (93/125) ======================= q-point: ( 0.33 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -1.837 0.621 3.065) 3.627 0.900 ( -2.271 -0.017 -0.510) 2.327 1.157 ( -2.512 4.963 -1.642) 5.800 1.238 ( -0.848 -0.678 -0.367) 1.146 1.324 ( -0.244 0.179 1.825) 1.850 1.346 ( 0.611 1.012 -1.923) 2.258 1.504 ( -2.639 2.121 0.616) 3.441 1.526 ( -2.758 1.574 -0.128) 3.178 1.688 ( -2.408 1.745 0.516) 3.018 1.692 ( -4.429 2.542 1.356) 5.283 1.885 ( 2.576 2.476 9.475) 10.127 1.971 ( 2.549 -0.451 -0.287) 2.604 2.024 ( 2.125 2.374 -7.825) 8.448 2.080 ( -3.787 4.902 -0.585) 6.222 2.212 ( 2.725 -4.837 7.496) 9.328 2.283 ( -5.587 -1.517 1.587) 6.003 2.297 ( -5.631 -0.659 -1.569) 5.883 2.329 ( 0.065 -6.016 -9.257) 11.040 2.711 ( -2.075 7.575 4.028) 8.826 2.771 ( 2.542 5.703 -0.272) 6.250 2.814 ( 8.798 -0.576 4.059) 9.706 2.962 ( 2.664 -0.131 -3.786) 4.631 3.076 ( -1.341 -9.757 1.879) 10.027 3.157 ( 2.791 -7.941 -3.632) 9.167 3.471 ( 4.230 5.868 -0.799) 7.277 3.558 ( 0.520 5.892 -0.640) 5.949 3.694 ( 3.867 -6.124 -3.754) 8.157 3.743 ( 2.515 -4.125 0.162) 4.834 4.100 ( 8.053 4.438 -0.125) 9.196 4.203 ( 6.864 -0.835 1.669) 7.114 4.612 ( 5.286 1.636 2.555) 6.095 4.651 ( 5.350 0.839 -1.410) 5.596 4.934 ( -1.203 1.687 0.864) 2.245 4.967 ( -0.535 -0.058 -0.071) 0.543 5.370 ( 2.055 5.365 -0.005) 5.745 5.551 ( 2.925 -4.621 0.183) 5.472 5.910 ( -1.088 -1.066 0.843) 1.740 5.937 ( -1.440 -1.825 -1.198) 2.616 8.036 ( -19.506 0.208 0.141) 19.508 8.050 ( -19.950 -0.392 -0.154) 19.955 8.219 ( 1.807 -0.436 0.168) 1.866 8.233 ( 0.411 -0.930 -0.455) 1.114 9.006 ( 2.824 1.549 0.995) 3.371 9.074 ( 0.196 -1.326 -1.219) 1.812 9.206 ( 12.486 0.783 0.331) 12.515 9.219 ( 14.452 -0.063 -0.204) 14.454 9.869 ( -5.916 0.537 1.420) 6.108 9.908 ( -3.869 -0.463 -1.776) 4.282 10.238 ( -0.361 -2.009 5.098) 5.491 10.305 ( -1.551 -2.895 -6.467) 7.253 10.684 ( 1.315 3.586 5.631) 6.805 10.859 ( 0.987 -3.531 -4.775) 6.020 11.271 ( 0.099 5.473 1.139) 5.591 11.437 ( -1.557 -3.315 0.081) 3.663 ======================= Grid point 241 (94/125) ======================= q-point: ( 0.44 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 1.239 2.028 0.000) 2.376 0.924 ( -0.355 -1.751 -0.000) 1.786 1.186 ( 2.173 2.588 0.000) 3.379 1.213 ( 2.625 -0.893 -0.000) 2.773 1.338 ( -0.728 1.357 0.000) 1.540 1.356 ( -1.046 -0.903 -0.000) 1.382 1.536 ( 1.102 0.358 0.000) 1.159 1.543 ( -0.367 -0.436 -0.000) 0.570 1.739 ( 0.893 3.242 0.000) 3.363 1.774 ( -2.129 -1.024 -0.000) 2.362 1.911 ( -3.292 1.303 0.000) 3.541 1.941 ( -1.413 -1.981 -0.000) 2.433 2.005 ( 1.250 0.745 0.000) 1.455 2.008 ( 6.635 0.449 -0.000) 6.650 2.208 ( -0.116 2.577 0.000) 2.580 2.246 ( 1.122 -1.431 -0.000) 1.818 2.407 ( -7.539 2.868 0.000) 8.066 2.478 ( -10.149 -5.241 -0.000) 11.422 2.683 ( 6.100 1.368 0.000) 6.252 2.706 ( 4.636 -1.032 -0.000) 4.749 2.860 ( -1.495 9.399 0.000) 9.518 2.924 ( 2.549 1.931 0.000) 3.198 3.012 ( 3.606 -6.240 -0.000) 7.207 3.044 ( -2.444 -9.890 -0.000) 10.187 3.475 ( 1.613 6.971 0.000) 7.155 3.590 ( 0.376 -6.357 -0.000) 6.368 3.609 ( -1.796 4.080 0.000) 4.458 3.658 ( 2.497 -1.776 -0.000) 3.065 4.028 ( 3.409 2.751 0.000) 4.380 4.080 ( 4.539 -3.032 -0.000) 5.459 4.553 ( 3.809 0.518 -0.000) 3.844 4.557 ( 4.210 -0.096 -0.000) 4.211 4.958 ( 1.655 0.396 0.000) 1.702 4.960 ( 0.124 0.273 0.000) 0.300 5.401 ( -0.540 4.561 0.000) 4.592 5.473 ( 1.148 -3.910 -0.000) 4.075 5.943 ( -2.399 0.377 0.000) 2.429 5.953 ( -2.374 -0.901 -0.000) 2.539 8.187 ( 0.613 -0.162 -0.000) 0.634 8.188 ( 0.214 -0.350 -0.000) 0.410 8.374 ( -13.475 0.200 0.000) 13.476 8.379 ( -13.445 -0.375 0.000) 13.450 8.908 ( 10.251 2.175 0.000) 10.479 8.942 ( 11.384 -1.694 -0.000) 11.510 9.067 ( 1.985 0.848 0.000) 2.159 9.083 ( -0.011 -1.117 -0.000) 1.117 9.950 ( -1.729 0.813 0.000) 1.911 9.963 ( -3.147 -0.645 -0.000) 3.212 10.243 ( 1.092 0.970 0.000) 1.461 10.275 ( -0.235 -2.759 -0.000) 2.769 10.739 ( -1.667 4.491 0.000) 4.791 10.818 ( -2.042 -4.941 -0.000) 5.347 11.312 ( 1.305 6.375 0.000) 6.507 11.409 ( 0.752 -4.865 -0.000) 4.923 ======================= Grid point 249 (95/125) ======================= q-point: ( 0.33 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -4.789 2.021 0.000) 5.198 0.859 ( -1.422 0.077 0.000) 1.424 0.989 ( -10.002 6.556 0.000) 11.959 1.216 ( -2.223 -1.569 -0.000) 2.721 1.289 ( -0.837 3.767 0.000) 3.859 1.393 ( 3.948 1.032 0.000) 4.081 1.411 ( -5.674 5.976 0.000) 8.241 1.428 ( -2.721 3.313 0.000) 4.287 1.589 ( -3.258 6.410 0.000) 7.191 1.649 ( -0.861 1.815 0.000) 2.008 1.854 ( -3.221 8.597 0.000) 9.180 1.920 ( -7.311 3.623 0.000) 8.159 2.031 ( 3.733 -1.182 -0.000) 3.915 2.062 ( 0.642 -3.054 -0.000) 3.121 2.131 ( -6.283 -2.530 -0.000) 6.773 2.276 ( 1.770 1.220 0.000) 2.149 2.315 ( 0.243 0.641 0.000) 0.686 2.447 ( 5.754 -10.068 -0.000) 11.596 2.601 ( -2.844 6.181 0.000) 6.804 2.790 ( 5.735 5.706 0.000) 8.090 2.998 ( 8.414 -1.443 -0.000) 8.537 3.025 ( 3.727 -1.502 -0.000) 4.018 3.113 ( -2.297 -8.655 -0.000) 8.955 3.285 ( 3.511 -8.570 -0.000) 9.261 3.482 ( 0.545 4.913 0.000) 4.943 3.546 ( 5.753 5.341 0.000) 7.850 3.788 ( -0.842 -3.549 -0.000) 3.647 3.823 ( 4.971 -6.343 -0.000) 8.059 4.222 ( 9.070 4.570 0.000) 10.157 4.313 ( 5.224 2.765 0.000) 5.911 4.685 ( 5.228 4.338 0.000) 6.793 4.748 ( 6.642 1.824 0.000) 6.888 4.909 ( -0.152 1.315 0.000) 1.324 4.948 ( -0.854 0.311 0.000) 0.909 5.370 ( 2.481 4.528 0.000) 5.163 5.644 ( 2.496 -4.917 -0.000) 5.514 5.905 ( -1.176 -2.044 -0.000) 2.358 5.938 ( -0.758 -3.313 -0.000) 3.399 7.684 ( -19.178 -0.170 0.000) 19.178 7.702 ( -18.723 -0.972 0.000) 18.749 8.256 ( 1.012 -0.779 -0.000) 1.278 8.271 ( 2.723 -1.390 -0.000) 3.057 9.046 ( 2.650 0.916 0.000) 2.804 9.089 ( 1.735 -0.483 -0.000) 1.801 9.406 ( 10.614 2.250 0.000) 10.850 9.452 ( 11.159 -0.078 -0.000) 11.159 9.733 ( -8.027 1.599 0.000) 8.185 9.859 ( -3.320 -3.050 -0.000) 4.509 10.250 ( -4.312 -3.569 -0.000) 5.597 10.275 ( -0.810 -2.761 -0.000) 2.877 10.708 ( 3.017 4.598 0.000) 5.499 10.916 ( 3.746 -3.066 -0.000) 4.840 11.228 ( -0.676 3.949 0.000) 4.007 11.411 ( -4.428 -2.665 -0.000) 5.168 ======================= Grid point 258 (96/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.000 9.134 0.000) 9.134 0.690 ( -0.000 6.315 0.000) 6.315 0.888 ( -0.000 1.834 0.000) 1.834 1.128 ( 0.000 -3.059 -0.000) 3.059 1.306 ( -0.000 14.372 0.000) 14.372 1.329 ( -0.000 4.651 0.000) 4.651 1.396 ( -0.000 5.771 0.000) 5.771 1.439 ( -0.000 0.613 0.000) 0.613 1.547 ( -0.000 0.010 0.000) 0.010 1.635 ( 0.000 -2.684 -0.000) 2.684 1.666 ( -0.000 10.462 0.000) 10.462 1.829 ( -0.000 7.905 0.000) 7.905 2.021 ( 0.000 -2.697 -0.000) 2.697 2.045 ( -0.000 5.985 0.000) 5.985 2.158 ( 0.000 -4.652 -0.000) 4.652 2.309 ( -0.000 5.069 0.000) 5.069 2.399 ( -0.000 2.615 0.000) 2.615 2.509 ( 0.000 -12.208 -0.000) 12.208 2.533 ( -0.000 4.230 0.000) 4.230 2.947 ( -0.000 2.291 0.000) 2.291 3.060 ( 0.000 -11.582 -0.000) 11.582 3.112 ( 0.000 -0.688 -0.000) 0.688 3.151 ( 0.000 -2.163 -0.000) 2.163 3.370 ( 0.000 -8.635 -0.000) 8.635 3.455 ( -0.000 5.993 0.000) 5.993 3.717 ( -0.000 4.023 0.000) 4.023 3.746 ( 0.000 -2.326 -0.000) 2.326 3.939 ( 0.000 -4.815 -0.000) 4.815 4.389 ( -0.000 3.925 0.000) 3.925 4.408 ( -0.000 5.370 0.000) 5.370 4.808 ( -0.000 5.606 0.000) 5.606 4.887 ( -0.000 3.181 0.000) 3.181 4.953 ( 0.000 -0.507 -0.000) 0.507 4.955 ( 0.000 -0.829 -0.000) 0.829 5.409 ( -0.000 3.776 0.000) 3.776 5.688 ( 0.000 -5.321 -0.000) 5.321 5.862 ( 0.000 -2.647 -0.000) 2.647 5.922 ( 0.000 -4.037 -0.000) 4.037 7.261 ( 0.000 -0.516 -0.000) 0.516 7.312 ( 0.000 -2.074 -0.000) 2.074 8.275 ( 0.000 -0.433 -0.000) 0.433 8.326 ( 0.000 -2.332 -0.000) 2.332 9.113 ( -0.000 2.175 0.000) 2.175 9.195 ( 0.000 -0.884 -0.000) 0.884 9.510 ( -0.000 3.208 0.000) 3.208 9.623 ( -0.000 0.747 0.000) 0.747 9.661 ( -0.000 0.266 0.000) 0.266 9.779 ( 0.000 -5.767 -0.000) 5.767 10.129 ( -0.000 2.558 0.000) 2.558 10.253 ( 0.000 -2.399 -0.000) 2.399 10.781 ( -0.000 6.074 0.000) 6.074 11.124 ( 0.000 -6.888 -0.000) 6.888 11.184 ( -0.000 1.592 0.000) 1.592 11.197 ( -0.000 1.025 0.000) 1.025 ======================= Grid point 259 (97/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -3.042 3.288 -2.268) 5.021 0.804 ( -5.900 1.884 3.303) 7.020 0.924 ( -2.548 6.111 0.900) 6.682 1.132 ( -3.629 -4.531 0.377) 5.817 1.340 ( 1.863 4.181 -0.086) 4.578 1.399 ( -0.719 5.111 -2.143) 5.589 1.421 ( 0.023 3.842 1.921) 4.296 1.465 ( 0.604 2.113 0.511) 2.257 1.606 ( -2.389 2.061 -1.265) 3.399 1.618 ( -3.069 2.756 0.889) 4.220 1.796 ( -5.668 4.349 -4.735) 8.571 1.896 ( -0.484 4.545 4.463) 6.388 2.005 ( -1.509 -1.081 -6.416) 6.680 2.040 ( 1.858 2.531 -4.999) 5.903 2.140 ( 0.735 -1.221 3.768) 4.029 2.285 ( 0.771 -1.704 -12.150) 12.293 2.374 ( 4.232 1.209 4.152) 6.051 2.445 ( 1.477 -6.631 7.947) 10.454 2.615 ( -2.304 6.927 2.586) 7.744 2.923 ( 3.112 -0.124 -2.412) 3.939 2.968 ( -0.386 -4.063 -5.332) 6.715 3.080 ( 3.206 -0.701 0.563) 3.330 3.119 ( 3.009 -2.297 5.919) 7.026 3.267 ( 2.808 -9.406 1.041) 9.871 3.533 ( -0.844 6.535 3.471) 7.447 3.700 ( 5.034 4.327 0.024) 6.638 3.741 ( -0.822 -3.959 2.392) 4.698 3.863 ( 4.001 -5.060 1.026) 6.532 4.378 ( 4.572 3.692 -1.213) 6.000 4.409 ( 3.280 2.785 -2.383) 4.919 4.807 ( 4.350 4.002 -0.848) 5.971 4.875 ( 5.399 1.105 -0.645) 5.549 4.919 ( 0.592 0.678 -0.615) 1.090 4.946 ( 0.207 -0.056 0.589) 0.627 5.439 ( 0.855 4.815 0.166) 4.893 5.629 ( 1.062 -5.571 -0.920) 5.745 5.862 ( -1.554 -1.793 0.542) 2.433 5.898 ( -0.686 -3.523 0.720) 3.660 7.384 ( -13.152 -0.248 -0.070) 13.155 7.410 ( -12.269 -1.479 0.110) 12.359 8.268 ( 0.668 -0.145 0.071) 0.687 8.296 ( 1.396 -1.753 0.001) 2.241 9.104 ( 2.701 1.514 -0.031) 3.097 9.141 ( 3.800 -0.510 0.241) 3.841 9.572 ( 5.878 1.433 -0.720) 6.093 9.592 ( 1.364 0.430 -0.089) 1.433 9.627 ( -1.981 2.328 -0.043) 3.058 9.759 ( -3.359 -4.860 -0.761) 5.957 10.175 ( -2.060 1.026 0.204) 2.310 10.248 ( -0.919 -2.564 3.274) 4.259 10.792 ( 3.268 5.251 -4.712) 7.775 10.987 ( 5.269 -3.797 2.078) 6.819 11.218 ( -2.195 1.479 -2.392) 3.568 11.292 ( -6.071 -1.470 2.044) 6.572 ======================= Grid point 260 (98/125) ======================= q-point: ( 0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -2.726 0.652 -3.778) 4.705 0.872 ( -1.640 0.144 1.015) 1.935 1.100 ( -7.942 4.202 1.932) 9.190 1.179 ( -4.375 -3.079 2.333) 5.837 1.339 ( 1.717 2.575 -0.777) 3.192 1.399 ( 1.883 -0.980 2.108) 2.992 1.480 ( -1.634 2.529 -0.114) 3.013 1.483 ( -2.617 1.845 -0.192) 3.208 1.637 ( -0.942 1.851 -4.776) 5.208 1.696 ( -0.438 1.961 1.867) 2.743 1.910 ( 2.351 0.702 -10.964) 11.236 1.941 ( -9.533 3.581 -4.352) 11.074 1.988 ( -2.118 -1.288 -2.840) 3.770 2.026 ( -3.905 -0.826 -1.938) 4.437 2.148 ( -1.030 1.511 2.261) 2.907 2.200 ( 1.417 -4.046 -4.394) 6.138 2.332 ( 4.053 2.583 5.035) 6.961 2.397 ( 3.187 -4.837 7.605) 9.560 2.718 ( -2.172 6.237 -2.828) 7.185 2.830 ( 2.184 -4.130 -7.145) 8.537 2.930 ( 5.510 6.072 -1.351) 8.309 3.011 ( 4.129 -2.798 2.105) 5.414 3.072 ( 3.513 -0.235 7.523) 8.307 3.157 ( 2.100 -7.935 5.519) 9.891 3.608 ( 1.887 6.412 1.788) 6.919 3.636 ( 4.955 3.754 1.303) 6.352 3.722 ( 0.072 -5.304 1.756) 5.588 3.752 ( 4.548 -4.284 5.455) 8.294 4.282 ( 7.916 2.937 -2.336) 8.760 4.314 ( 6.896 0.052 -2.818) 7.449 4.720 ( 6.792 1.405 -2.874) 7.508 4.762 ( 6.035 0.186 -0.405) 6.052 4.925 ( -0.412 1.250 -1.439) 1.950 4.956 ( -0.574 -0.019 1.058) 1.204 5.454 ( 2.187 4.820 -0.602) 5.327 5.552 ( 1.827 -4.841 -0.404) 5.190 5.876 ( -1.093 -1.263 -0.514) 1.748 5.903 ( -1.768 -1.408 1.464) 2.692 7.676 ( -19.421 -0.260 -0.792) 19.438 7.695 ( -19.345 -0.247 0.816) 19.364 8.247 ( 1.716 -0.249 -0.098) 1.737 8.256 ( 1.659 -0.584 0.474) 1.821 9.050 ( 3.180 0.430 -1.516) 3.549 9.097 ( 1.610 -0.114 2.304) 2.813 9.427 ( 10.993 0.866 -1.095) 11.081 9.448 ( 10.892 -0.244 0.005) 10.894 9.757 ( -6.459 1.201 -1.394) 6.716 9.815 ( -6.258 -1.745 0.941) 6.565 10.195 ( -0.439 -0.296 -1.472) 1.565 10.286 ( -2.222 -1.615 6.124) 6.712 10.710 ( 3.854 1.836 -9.560) 10.470 10.920 ( 3.335 -1.315 7.305) 8.137 11.266 ( -3.063 2.093 -4.468) 5.807 11.372 ( -3.247 -1.638 1.757) 4.039 ======================= Grid point 261 (99/125) ======================= q-point: ( 0.67 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -2.234 -0.000 -4.429) 4.960 0.893 ( -1.154 -0.000 -2.054) 2.356 1.214 ( 1.498 0.000 0.324) 1.533 1.251 ( -4.734 0.000 3.626) 5.963 1.307 ( 1.673 -0.000 -1.359) 2.155 1.381 ( 0.663 0.000 2.183) 2.281 1.511 ( -0.225 -0.000 -2.036) 2.049 1.550 ( -2.934 0.000 1.445) 3.271 1.633 ( -3.203 -0.000 -11.762) 12.190 1.694 ( 0.747 -0.000 -0.975) 1.228 1.841 ( -2.214 -0.000 -1.694) 2.788 1.936 ( 1.604 -0.000 -2.939) 3.348 2.048 ( 5.848 -0.000 -0.075) 5.848 2.132 ( -7.127 -0.000 -2.864) 7.681 2.213 ( -11.276 0.000 1.346) 11.356 2.252 ( -5.161 -0.000 -1.191) 5.297 2.331 ( 1.615 0.000 3.390) 3.756 2.333 ( 2.789 0.000 8.979) 9.403 2.698 ( 4.602 -0.000 -6.311) 7.810 2.725 ( 3.373 -0.000 -7.669) 8.378 2.861 ( 3.680 -0.000 -3.174) 4.859 2.924 ( 1.628 0.000 0.262) 1.649 3.093 ( 1.354 0.000 5.984) 6.135 3.125 ( 2.199 0.000 11.100) 11.315 3.533 ( 5.133 -0.000 -0.088) 5.133 3.643 ( 2.352 -0.000 -0.579) 2.422 3.673 ( 2.437 0.000 0.753) 2.551 3.728 ( 1.231 0.000 12.077) 12.139 4.139 ( 7.430 -0.000 -3.795) 8.343 4.168 ( 7.204 -0.000 -0.301) 7.210 4.583 ( 6.586 -0.000 -3.905) 7.657 4.674 ( 4.195 0.000 0.866) 4.283 4.936 ( -1.431 -0.000 -2.861) 3.199 4.963 ( 0.524 0.000 0.091) 0.532 5.411 ( 3.855 -0.000 -3.060) 4.922 5.511 ( 0.670 0.000 2.346) 2.440 5.880 ( -0.933 -0.000 -1.613) 1.864 5.943 ( -2.156 0.000 1.909) 2.880 8.032 ( -20.454 0.000 -0.564) 20.462 8.054 ( -19.433 0.000 0.779) 19.449 8.213 ( 1.041 -0.000 -0.109) 1.047 8.234 ( 0.970 0.000 1.049) 1.429 9.001 ( 1.450 -0.000 -2.167) 2.608 9.087 ( 2.934 0.000 2.814) 4.065 9.205 ( 11.779 -0.000 -0.788) 11.806 9.224 ( 14.064 -0.000 0.391) 14.069 9.847 ( -4.863 -0.000 -2.270) 5.367 9.939 ( -6.047 0.000 3.271) 6.875 10.179 ( 0.635 -0.000 -2.856) 2.926 10.351 ( -1.775 0.000 6.812) 7.039 10.620 ( 0.790 -0.000 -9.626) 9.658 10.907 ( 2.047 0.000 7.376) 7.655 11.295 ( -1.685 -0.000 -5.059) 5.332 11.406 ( -0.758 0.000 1.639) 1.806 ======================= Grid point 269 (100/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -0.000 8.162 4.296) 9.223 0.697 ( -0.000 6.566 1.221) 6.678 0.897 ( -0.000 1.942 1.594) 2.512 1.128 ( 0.000 -3.126 0.142) 3.129 1.278 ( -0.000 13.405 -3.961) 13.978 1.326 ( -0.000 5.538 -0.503) 5.561 1.402 ( -0.000 5.098 1.082) 5.212 1.467 ( -0.000 0.512 4.194) 4.225 1.542 ( -0.000 1.604 -1.166) 1.983 1.633 ( 0.000 -2.666 -0.364) 2.691 1.644 ( -0.000 8.164 -3.399) 8.843 1.854 ( -0.000 7.464 3.308) 8.164 1.971 ( 0.000 -3.232 -7.648) 8.303 2.005 ( -0.000 4.789 -5.542) 7.324 2.196 ( -0.000 -3.993 5.467) 6.770 2.226 ( 0.000 0.241 -12.886) 12.888 2.406 ( -0.000 2.555 0.367) 2.581 2.543 ( 0.000 -7.410 3.649) 8.260 2.592 ( -0.000 4.389 10.678) 11.545 2.936 ( -0.000 3.309 -1.842) 3.787 2.977 ( 0.000 -9.624 -11.237) 14.795 3.124 ( -0.000 -0.437 2.099) 2.144 3.183 ( -0.000 -1.984 2.899) 3.513 3.358 ( 0.000 -4.361 -0.763) 4.427 3.529 ( -0.000 1.037 10.987) 11.035 3.710 ( -0.000 4.277 0.097) 4.278 3.784 ( -0.000 -2.664 5.251) 5.888 3.945 ( 0.000 -4.594 1.096) 4.723 4.377 ( -0.000 3.727 -2.264) 4.361 4.379 ( -0.000 5.520 -5.242) 7.613 4.805 ( -0.000 5.092 -0.591) 5.126 4.890 ( -0.000 3.337 0.436) 3.366 4.937 ( 0.000 -0.447 -3.106) 3.138 4.954 ( 0.000 -0.261 0.051) 0.266 5.413 ( -0.000 3.456 0.912) 3.574 5.675 ( 0.000 -5.075 -2.302) 5.573 5.872 ( 0.000 -3.063 1.893) 3.601 5.936 ( 0.000 -4.943 2.376) 5.484 7.263 ( 0.000 -0.498 0.294) 0.578 7.312 ( 0.000 -2.005 -0.158) 2.012 8.276 ( 0.000 -0.417 0.185) 0.456 8.326 ( 0.000 -2.265 -0.151) 2.270 9.115 ( -0.000 2.110 0.383) 2.145 9.193 ( 0.000 -0.799 -0.378) 0.884 9.515 ( -0.000 2.903 1.007) 3.073 9.613 ( 0.000 1.123 -1.609) 1.962 9.655 ( 0.000 0.280 -1.122) 1.156 9.767 ( 0.000 -5.458 -2.271) 5.912 10.143 ( -0.000 2.720 2.710) 3.840 10.285 ( -0.000 -3.167 5.671) 6.496 10.748 ( -0.000 6.139 -5.663) 8.352 11.078 ( 0.000 -5.782 -6.812) 8.935 11.202 ( -0.000 1.499 2.932) 3.293 11.225 ( -0.000 -0.098 3.469) 3.470 ======================= Grid point 270 (101/125) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -1.269 3.470 -0.911) 3.806 0.841 ( -4.319 0.895 3.037) 5.356 0.944 ( -3.491 5.925 2.712) 7.392 1.142 ( -4.368 -4.134 1.731) 6.258 1.333 ( 2.074 6.743 -1.541) 7.221 1.379 ( -1.594 6.809 -1.324) 7.117 1.442 ( -0.576 2.338 1.892) 3.062 1.477 ( 2.206 -0.257 1.587) 2.730 1.590 ( 0.057 2.843 -1.800) 3.366 1.625 ( -5.268 2.839 0.083) 5.985 1.737 ( -5.682 2.224 -5.361) 8.122 1.908 ( -0.023 -0.150 -10.229) 10.230 1.944 ( -2.522 1.037 0.553) 2.782 1.972 ( 2.126 1.964 -3.660) 4.666 2.119 ( 0.358 -3.051 -11.700) 12.096 2.213 ( -1.450 -2.275 3.405) 4.344 2.401 ( 2.696 1.642 0.219) 3.164 2.515 ( 1.589 -3.179 3.723) 5.147 2.665 ( 0.752 1.816 5.411) 5.757 2.861 ( -0.573 -6.109 -5.594) 8.303 2.947 ( 3.842 8.493 0.704) 9.348 3.094 ( 3.578 -0.360 1.777) 4.012 3.180 ( 1.177 -2.377 4.728) 5.421 3.285 ( 3.046 -5.912 2.122) 6.981 3.601 ( 0.354 3.276 8.612) 9.221 3.712 ( 4.604 4.656 2.488) 7.004 3.778 ( 0.241 -4.300 4.266) 6.062 3.886 ( 3.051 -4.751 3.260) 6.520 4.346 ( 4.186 3.348 -5.577) 7.735 4.366 ( 3.083 3.411 -4.517) 6.446 4.793 ( 4.584 3.191 -1.606) 5.812 4.858 ( 5.350 0.527 -2.504) 5.931 4.910 ( 0.907 1.735 -0.986) 2.192 4.954 ( -0.109 0.338 0.693) 0.779 5.443 ( 0.804 3.951 0.747) 4.100 5.611 ( 0.838 -4.987 -2.287) 5.550 5.872 ( -1.227 -2.431 1.397) 3.061 5.911 ( -0.569 -4.140 1.509) 4.443 7.383 ( -12.744 -0.421 -0.160) 12.752 7.412 ( -12.522 -1.130 0.246) 12.575 8.269 ( 0.711 -0.139 0.254) 0.768 8.295 ( 1.330 -1.634 -0.033) 2.107 9.104 ( 3.262 1.273 -0.046) 3.502 9.146 ( 2.929 -0.310 0.592) 3.005 9.560 ( 5.420 1.670 -1.424) 5.847 9.589 ( 3.367 -0.086 -0.590) 3.419 9.627 ( -3.705 2.141 -0.046) 4.279 9.744 ( -3.866 -4.224 -1.959) 6.052 10.188 ( -0.260 1.630 2.602) 3.081 10.305 ( -1.586 -3.302 6.769) 7.697 10.715 ( 4.464 4.095 -8.626) 10.541 11.002 ( 0.090 -3.271 -0.511) 3.312 11.194 ( -0.111 0.635 -1.124) 1.295 11.317 ( -4.621 -0.167 2.054) 5.059 ======================= Grid point 271 (102/125) ======================= q-point: ( 0.67 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -1.727 0.787 -2.814) 3.394 0.870 ( -0.159 0.219 -1.279) 1.307 1.122 ( -8.967 1.658 1.819) 9.299 1.217 ( -3.070 -1.136 4.356) 5.449 1.335 ( 2.066 3.226 0.170) 3.835 1.417 ( 2.408 0.466 0.788) 2.576 1.471 ( -2.492 4.846 -2.316) 5.921 1.488 ( -2.224 -0.252 1.229) 2.553 1.564 ( 1.390 -1.100 -7.880) 8.076 1.715 ( -0.007 2.210 1.686) 2.780 1.810 ( 0.967 -1.353 -6.155) 6.376 1.892 ( -10.981 2.809 -4.894) 12.346 1.940 ( -1.683 -1.991 -5.681) 6.251 2.000 ( -5.889 -0.395 -3.121) 6.677 2.144 ( -6.412 0.355 -0.738) 6.464 2.208 ( 2.976 -1.665 3.573) 4.939 2.352 ( 2.412 1.412 -2.279) 3.606 2.450 ( 4.318 -3.034 2.655) 5.907 2.675 ( -1.671 -0.246 -4.689) 4.984 2.810 ( 4.817 -0.359 3.603) 6.026 2.918 ( 6.697 7.173 -1.029) 9.867 3.015 ( 5.081 -3.735 -1.096) 6.401 3.147 ( 2.783 0.401 5.587) 6.255 3.232 ( 1.194 -3.275 8.157) 8.871 3.633 ( 5.556 3.557 2.684) 7.122 3.668 ( 3.405 2.834 4.645) 6.419 3.747 ( 1.544 -4.286 3.128) 5.526 3.828 ( 2.222 -2.798 8.242) 8.983 4.233 ( 6.806 1.676 -7.110) 9.985 4.282 ( 6.315 1.659 -2.842) 7.121 4.688 ( 7.214 0.764 -2.811) 7.780 4.752 ( 5.048 0.356 -1.158) 5.191 4.901 ( 0.332 1.357 -3.168) 3.462 4.968 ( -0.274 0.184 0.930) 0.986 5.447 ( 2.533 2.684 -0.682) 3.753 5.548 ( 1.081 -2.996 -0.431) 3.214 5.872 ( -0.435 -1.890 -0.214) 1.951 5.919 ( -1.991 -1.342 1.514) 2.839 7.668 ( -19.387 -0.333 -0.677) 19.402 7.704 ( -19.352 -0.051 0.710) 19.365 8.247 ( 1.880 -0.260 0.067) 1.899 8.262 ( 1.295 -0.459 0.526) 1.471 9.036 ( 3.764 0.268 -1.121) 3.937 9.123 ( 0.818 0.052 2.433) 2.568 9.412 ( 10.962 0.586 -1.596) 11.093 9.447 ( 10.489 0.040 -0.179) 10.491 9.740 ( -5.932 0.046 -1.655) 6.159 9.825 ( -7.603 -0.654 0.794) 7.673 10.196 ( 1.487 0.258 1.608) 2.205 10.356 ( -2.372 -1.941 6.685) 7.354 10.605 ( 3.725 1.125 -9.849) 10.590 10.990 ( 1.747 -0.773 5.336) 5.668 11.213 ( -2.876 0.858 -5.053) 5.877 11.387 ( -2.644 -0.397 0.941) 2.834 ======================= Grid point 272 (103/125) ======================= q-point: ( 0.78 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -1.772 -0.000 -3.648) 4.056 0.858 ( -0.559 -0.000 -4.207) 4.244 1.204 ( 5.349 -0.000 -2.624) 5.958 1.291 ( -6.659 0.000 3.648) 7.593 1.296 ( 2.714 -0.000 -0.995) 2.890 1.400 ( 0.902 0.000 1.325) 1.603 1.455 ( -0.794 -0.000 -7.566) 7.607 1.548 ( -3.228 -0.000 -2.461) 4.059 1.567 ( -3.528 0.000 1.742) 3.935 1.690 ( 2.244 0.000 0.439) 2.286 1.850 ( -5.635 0.000 2.230) 6.060 1.901 ( -0.541 -0.000 -3.445) 3.487 2.046 ( 1.327 -0.000 -0.392) 1.384 2.094 ( -5.219 -0.000 -4.041) 6.600 2.224 ( -7.835 0.000 0.754) 7.871 2.236 ( -3.052 -0.000 -1.492) 3.398 2.364 ( 2.700 0.000 2.167) 3.462 2.374 ( -5.526 -0.000 -0.946) 5.606 2.660 ( 1.797 -0.000 -3.859) 4.257 2.682 ( 9.780 0.000 2.892) 10.198 2.818 ( 6.036 -0.000 -4.875) 7.759 2.922 ( 1.317 -0.000 -0.497) 1.408 3.144 ( 1.084 0.000 3.630) 3.788 3.247 ( 2.367 0.000 11.130) 11.379 3.541 ( 5.637 0.000 0.877) 5.705 3.639 ( 4.880 -0.000 -0.131) 4.882 3.688 ( 3.729 0.000 2.768) 4.644 3.864 ( -0.727 0.000 12.677) 12.698 4.079 ( 6.208 -0.000 -7.612) 9.823 4.165 ( 5.848 -0.000 -0.209) 5.852 4.548 ( 6.831 -0.000 -2.520) 7.281 4.681 ( 3.099 0.000 0.748) 3.188 4.891 ( -1.265 -0.000 -5.513) 5.656 4.963 ( 1.365 -0.000 -0.053) 1.366 5.385 ( 4.419 -0.000 -1.874) 4.800 5.532 ( -0.208 0.000 1.621) 1.634 5.865 ( -0.354 -0.000 -1.177) 1.229 5.961 ( -2.222 0.000 1.450) 2.653 8.027 ( -20.723 0.000 -0.429) 20.727 8.062 ( -19.555 0.000 0.737) 19.569 8.214 ( 1.202 -0.000 0.091) 1.205 8.245 ( 0.782 0.000 0.912) 1.202 8.981 ( 1.646 -0.000 -1.519) 2.239 9.116 ( 5.293 0.000 2.468) 5.840 9.196 ( 9.130 -0.000 -0.923) 9.176 9.227 ( 13.995 -0.000 0.241) 13.997 9.826 ( -4.922 -0.000 -1.674) 5.199 9.973 ( -7.482 0.000 2.846) 8.005 10.160 ( 2.706 -0.000 -0.649) 2.783 10.421 ( -1.912 0.000 5.998) 6.295 10.521 ( 0.346 -0.000 -8.665) 8.672 10.979 ( 2.306 0.000 6.056) 6.481 11.239 ( -2.283 -0.000 -5.431) 5.892 11.419 ( -0.871 0.000 0.721) 1.131 ======================= Grid point 280 (104/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.000 6.518 2.831) 7.106 0.739 ( -0.000 5.701 6.613) 8.731 0.920 ( -0.000 2.372 2.641) 3.550 1.133 ( -0.000 -3.529 0.765) 3.611 1.236 ( 0.000 12.424 -3.695) 12.962 1.316 ( 0.000 7.349 -1.375) 7.476 1.419 ( 0.000 3.905 2.138) 4.452 1.513 ( -0.000 -0.754 3.826) 3.900 1.522 ( -0.000 6.213 -2.239) 6.605 1.612 ( -0.000 2.827 -1.876) 3.393 1.628 ( 0.000 -2.575 -0.430) 2.611 1.853 ( -0.000 2.762 -4.613) 5.377 1.878 ( 0.000 -3.479 -9.300) 9.930 1.988 ( -0.000 5.485 4.085) 6.839 2.069 ( -0.000 -3.355 -15.520) 15.879 2.254 ( -0.000 -3.482 4.925) 6.032 2.405 ( -0.000 1.401 -0.401) 1.458 2.549 ( -0.000 -4.252 -3.415) 5.454 2.731 ( -0.000 2.493 13.176) 13.409 2.867 ( 0.000 -7.160 -7.994) 10.731 2.919 ( 0.000 7.294 -0.306) 7.301 3.152 ( -0.000 -0.039 2.834) 2.834 3.201 ( -0.000 0.111 0.611) 0.621 3.355 ( 0.000 -2.128 -0.356) 2.158 3.655 ( -0.000 -0.773 11.688) 11.714 3.728 ( 0.000 5.438 3.180) 6.299 3.847 ( -0.000 -3.943 6.327) 7.455 3.965 ( -0.000 -4.118 2.857) 5.012 4.303 ( -0.000 5.584 -8.526) 10.192 4.340 ( 0.000 3.161 -4.550) 5.540 4.796 ( -0.000 4.367 -0.950) 4.470 4.892 ( 0.000 0.747 -4.938) 4.994 4.894 ( -0.000 3.251 0.340) 3.269 4.953 ( 0.000 0.012 -0.311) 0.312 5.430 ( -0.000 2.499 2.218) 3.341 5.642 ( -0.000 -4.527 -3.652) 5.816 5.900 ( -0.000 -4.151 3.061) 5.158 5.965 ( -0.000 -6.562 2.504) 7.024 7.267 ( 0.000 -0.473 0.563) 0.735 7.309 ( -0.000 -1.774 -0.427) 1.825 8.280 ( 0.000 -0.456 0.540) 0.707 8.323 ( 0.000 -2.069 -0.362) 2.100 9.121 ( -0.000 1.918 0.784) 2.072 9.187 ( -0.000 -0.515 -0.804) 0.955 9.531 ( 0.000 2.056 1.990) 2.862 9.594 ( -0.000 1.662 -1.746) 2.411 9.638 ( 0.000 0.343 -1.895) 1.926 9.733 ( -0.000 -4.657 -3.788) 6.003 10.185 ( 0.000 3.134 5.016) 5.914 10.362 ( 0.000 -4.318 7.934) 9.033 10.676 ( 0.000 5.776 -6.879) 8.982 10.994 ( 0.000 -5.850 -8.742) 10.519 11.236 ( 0.000 1.354 3.091) 3.375 11.257 ( -0.000 -0.027 2.428) 2.428 ======================= Grid point 281 (105/125) ======================= q-point: ( 0.67 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.971 3.280 1.090) 3.590 0.863 ( -1.473 0.229 1.090) 1.846 0.978 ( -4.375 4.145 3.265) 6.854 1.171 ( -5.804 -2.554 3.646) 7.315 1.309 ( 0.820 9.557 -2.313) 9.867 1.369 ( -0.192 7.029 -0.962) 7.097 1.462 ( -0.093 2.108 1.740) 2.735 1.499 ( 2.693 -2.849 2.540) 4.671 1.563 ( 2.162 3.773 -3.601) 5.646 1.618 ( -8.020 1.064 -0.969) 8.148 1.697 ( -4.583 0.880 -1.664) 4.955 1.802 ( -0.644 -1.591 -9.017) 9.178 1.875 ( -4.032 -3.120 -8.032) 9.513 1.951 ( 0.973 -0.974 -8.899) 9.004 2.046 ( -1.651 1.784 2.608) 3.565 2.259 ( -0.731 -2.689 4.005) 4.879 2.387 ( 2.542 -0.178 -2.431) 3.522 2.503 ( -0.072 -1.532 -5.563) 5.771 2.709 ( 3.926 -3.333 3.056) 5.989 2.838 ( -1.782 -1.405 -0.172) 2.276 2.982 ( 5.500 10.556 6.029) 13.343 3.113 ( 4.612 0.019 1.531) 4.859 3.216 ( 0.270 -1.108 2.219) 2.495 3.310 ( 2.450 -1.397 2.310) 3.646 3.699 ( 1.859 0.972 8.739) 8.987 3.751 ( 4.413 4.631 4.665) 7.917 3.830 ( 1.207 -4.446 5.519) 7.189 3.931 ( 1.705 -4.318 5.056) 6.864 4.261 ( 3.941 3.902 -9.415) 10.927 4.317 ( 2.343 2.852 -5.011) 6.223 4.776 ( 4.905 2.375 -1.648) 5.693 4.827 ( 4.475 1.026 -3.024) 5.497 4.896 ( 2.111 1.857 -1.755) 3.314 4.960 ( -0.520 0.802 0.409) 1.040 5.456 ( 0.822 2.363 1.561) 2.949 5.583 ( 0.452 -3.876 -2.827) 4.819 5.889 ( -0.681 -3.543 1.696) 3.986 5.926 ( -0.543 -4.745 1.226) 4.931 7.381 ( -12.208 -0.596 -0.164) 12.223 7.414 ( -12.829 -0.674 0.237) 12.849 8.273 ( 0.822 -0.213 0.460) 0.965 8.295 ( 1.201 -1.402 -0.147) 1.852 9.104 ( 3.947 0.932 -0.008) 4.056 9.153 ( 1.756 0.009 0.656) 1.874 9.544 ( 5.512 1.598 -1.339) 5.893 9.580 ( 4.575 -0.071 -0.917) 4.666 9.627 ( -4.895 1.148 0.140) 5.030 9.720 ( -4.822 -3.050 -2.361) 6.175 10.231 ( 1.264 2.442 5.242) 5.919 10.381 ( -1.414 -3.730 6.883) 7.956 10.621 ( 5.176 2.744 -8.474) 10.302 10.969 ( -5.660 -3.022 -5.067) 8.176 11.199 ( 3.075 0.240 1.531) 3.443 11.334 ( -3.612 0.563 1.064) 3.808 ======================= Grid point 282 (106/125) ======================= q-point: ( 0.78 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -0.404 0.767 -1.297) 1.560 0.848 ( 1.502 0.239 -2.472) 2.903 1.136 ( -9.942 0.069 0.930) 9.985 1.262 ( 0.445 -0.684 3.504) 3.598 1.344 ( 1.461 4.991 1.468) 5.404 1.399 ( 4.926 2.878 -7.069) 9.084 1.420 ( -0.276 3.162 -2.533) 4.061 1.503 ( -2.152 -3.472 1.069) 4.222 1.526 ( -2.031 -1.943 0.951) 2.967 1.732 ( -0.581 2.074 1.581) 2.672 1.775 ( -2.234 -1.040 -1.234) 2.756 1.840 ( -10.318 2.262 -4.416) 11.449 1.876 ( -4.626 -1.770 -6.081) 7.843 1.967 ( -6.673 -0.063 -2.678) 7.191 2.148 ( -6.947 -0.035 1.195) 7.049 2.252 ( 2.520 -1.445 4.512) 5.367 2.302 ( 2.008 -1.095 -5.799) 6.233 2.439 ( 3.322 -0.767 -4.660) 5.775 2.658 ( 0.853 -1.411 1.674) 2.350 2.856 ( 2.160 1.916 2.802) 4.023 2.916 ( 10.259 5.040 1.355) 11.510 2.995 ( 6.637 -3.469 -2.244) 7.818 3.185 ( 2.286 -0.192 1.999) 3.042 3.323 ( 0.707 1.472 7.931) 8.098 3.661 ( 6.675 0.653 2.231) 7.068 3.725 ( 4.298 1.658 5.205) 6.951 3.793 ( 3.570 -2.333 5.668) 7.093 3.918 ( -0.017 -1.674 8.015) 8.188 4.137 ( 6.270 1.571 -10.382) 12.230 4.252 ( 4.805 1.721 -2.632) 5.742 4.663 ( 7.230 0.438 -1.834) 7.471 4.744 ( 4.216 0.620 -0.113) 4.263 4.857 ( 1.422 1.225 -4.857) 5.207 4.975 ( -0.053 0.281 0.551) 0.621 5.441 ( 2.830 0.539 -0.349) 2.902 5.544 ( 0.341 -1.112 -0.236) 1.186 5.870 ( 0.100 -2.421 -0.075) 2.424 5.933 ( -2.096 -1.424 1.084) 2.756 7.662 ( -19.358 -0.317 -0.454) 19.366 7.710 ( -19.359 0.082 0.479) 19.365 8.248 ( 1.930 -0.239 0.144) 1.951 8.267 ( 1.036 -0.359 0.393) 1.165 9.026 ( 4.171 0.191 -0.671) 4.229 9.147 ( 0.079 0.160 1.976) 1.984 9.395 ( 10.946 0.377 -1.494) 11.054 9.444 ( 10.152 0.216 -0.218) 10.157 9.724 ( -5.766 -0.557 -1.290) 5.935 9.831 ( -8.650 -0.131 0.395) 8.660 10.228 ( 3.640 0.898 4.174) 5.611 10.421 ( -2.015 -1.760 5.003) 5.674 10.504 ( 3.067 0.170 -8.531) 9.067 11.031 ( -2.188 -0.488 2.218) 3.154 11.166 ( -0.250 0.218 -3.292) 3.309 11.393 ( -2.320 0.178 0.257) 2.341 ======================= Grid point 283 (107/125) ======================= q-point: ( 0.89 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -1.192 -0.000 -1.975) 2.306 0.810 ( 0.225 -0.000 -4.232) 4.238 1.163 ( 7.407 -0.000 -3.928) 8.384 1.284 ( 2.517 -0.000 -0.885) 2.668 1.324 ( -8.475 0.000 2.258) 8.771 1.403 ( -1.987 -0.000 -2.229) 2.986 1.410 ( 1.260 0.000 0.533) 1.368 1.541 ( -1.986 0.000 0.051) 1.987 1.586 ( -3.747 0.000 1.503) 4.038 1.702 ( 2.006 0.000 1.416) 2.455 1.865 ( -1.043 -0.000 -3.034) 3.208 1.876 ( -5.783 0.000 2.238) 6.201 2.040 ( -5.950 0.000 -0.529) 5.974 2.051 ( -2.048 -0.000 -3.491) 4.048 2.224 ( -3.006 -0.000 -0.820) 3.116 2.229 ( -0.134 0.000 0.164) 0.212 2.349 ( -9.645 -0.000 -2.412) 9.942 2.373 ( -0.703 -0.000 -0.286) 0.759 2.651 ( 1.966 0.000 1.947) 2.766 2.725 ( 11.954 0.000 3.707) 12.516 2.760 ( 7.678 -0.000 -5.654) 9.535 2.916 ( 0.755 -0.000 -0.538) 0.927 3.172 ( 0.398 0.000 1.702) 1.748 3.352 ( 1.713 0.000 7.910) 8.093 3.538 ( 7.241 -0.000 -1.383) 7.372 3.639 ( 7.419 -0.000 -0.028) 7.419 3.746 ( 4.622 0.000 8.123) 9.346 3.979 ( 4.941 -0.000 -10.698) 11.784 3.982 ( -2.050 0.000 8.617) 8.857 4.163 ( 4.605 -0.000 -0.138) 4.608 4.530 ( 6.786 -0.000 -0.966) 6.855 4.696 ( 2.382 0.000 2.230) 3.262 4.823 ( -0.875 -0.000 -6.638) 6.695 4.962 ( 1.939 -0.000 -0.091) 1.941 5.371 ( 4.616 -0.000 -0.712) 4.671 5.545 ( -0.753 0.000 0.842) 1.129 5.856 ( 0.061 -0.000 -0.634) 0.637 5.973 ( -2.217 0.000 0.777) 2.349 8.023 ( -20.870 0.000 -0.233) 20.871 8.069 ( -19.875 0.000 0.467) 19.881 8.215 ( 1.476 -0.000 0.100) 1.479 8.253 ( 0.615 0.000 0.520) 0.805 8.969 ( 1.824 -0.000 -0.778) 1.983 9.139 ( 9.642 0.000 1.796) 9.808 9.185 ( 4.574 -0.000 -0.963) 4.674 9.229 ( 13.872 -0.000 0.108) 13.872 9.812 ( -5.019 -0.000 -0.900) 5.099 9.997 ( -9.118 0.000 1.554) 9.250 10.163 ( 5.182 0.000 0.969) 5.272 10.441 ( -0.293 -0.000 -5.841) 5.848 10.474 ( -1.850 0.000 3.589) 4.038 11.037 ( 2.611 0.000 4.726) 5.399 11.182 ( -2.997 -0.000 -4.829) 5.683 11.423 ( -1.028 0.000 0.218) 1.051 ======================= Grid point 285 (108/125) ======================= q-point: ( 0.00 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -0.933 -0.000 0.000) 0.933 0.784 ( 0.656 0.000 -0.000) 0.656 1.140 ( 7.229 0.000 -0.000) 7.229 1.280 ( 2.329 0.000 -0.000) 2.329 1.337 ( -9.290 -0.000 0.000) 9.290 1.393 ( -1.475 -0.000 0.000) 1.475 1.412 ( 1.499 0.000 -0.000) 1.499 1.542 ( -1.613 -0.000 0.000) 1.613 1.595 ( -3.740 -0.000 0.000) 3.740 1.712 ( 1.003 0.000 -0.000) 1.003 1.846 ( -0.290 -0.000 0.000) 0.290 1.890 ( -4.904 -0.000 0.000) 4.904 2.031 ( -0.712 -0.000 0.000) 0.712 2.037 ( -10.493 -0.000 0.000) 10.493 2.219 ( -3.338 -0.000 0.000) 3.338 2.229 ( 4.970 0.000 -0.000) 4.970 2.335 ( -10.585 -0.000 0.000) 10.585 2.369 ( -3.789 -0.000 0.000) 3.789 2.680 ( -1.601 -0.000 0.000) 1.601 2.712 ( 12.405 0.000 -0.000) 12.405 2.746 ( 12.389 0.000 -0.000) 12.389 2.913 ( 0.442 0.000 -0.000) 0.442 3.181 ( 0.046 0.000 -0.000) 0.046 3.399 ( 0.284 0.000 -0.000) 0.284 3.525 ( 9.146 0.000 -0.000) 9.146 3.639 ( 8.465 0.000 -0.000) 8.465 3.838 ( 8.015 0.000 -0.000) 8.015 3.873 ( 1.318 0.000 -0.000) 1.318 4.031 ( -2.521 -0.000 0.000) 2.521 4.162 ( 4.082 0.000 -0.000) 4.082 4.525 ( 6.709 0.000 -0.000) 6.709 4.720 ( 2.758 0.000 -0.000) 2.758 4.773 ( -1.262 -0.000 0.000) 1.262 4.962 ( 2.143 0.000 -0.000) 2.143 5.368 ( 4.648 0.000 -0.000) 4.648 5.550 ( -0.935 -0.000 0.000) 0.935 5.852 ( 0.210 0.000 -0.000) 0.210 5.977 ( -2.208 -0.000 0.000) 2.208 8.022 ( -20.917 -0.000 0.000) 20.917 8.071 ( -20.046 -0.000 0.000) 20.046 8.215 ( 1.615 0.000 -0.000) 1.615 8.256 ( 0.550 0.000 -0.000) 0.550 8.964 ( 1.893 0.000 -0.000) 1.893 9.150 ( 14.778 0.000 -0.000) 14.778 9.178 ( -0.638 -0.000 0.000) 0.638 9.230 ( 13.816 0.000 -0.000) 13.816 9.807 ( -5.064 -0.000 0.000) 5.064 10.005 ( -9.777 -0.000 0.000) 9.777 10.171 ( 6.425 0.000 -0.000) 6.425 10.408 ( -0.793 -0.000 0.000) 0.793 10.494 ( -1.783 -0.000 0.000) 1.783 11.069 ( 3.621 0.000 -0.000) 3.621 11.149 ( -4.201 -0.000 0.000) 4.201 11.424 ( -1.098 -0.000 0.000) 1.098 ======================= Grid point 294 (109/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.000 4.764 4.789) 6.755 0.807 ( -0.000 2.465 5.454) 5.986 0.953 ( -0.000 3.486 3.760) 5.127 1.131 ( -0.000 -2.217 -2.369) 3.245 1.208 ( 0.000 10.944 -0.519) 10.956 1.296 ( 0.000 8.732 -2.541) 9.094 1.445 ( 0.000 3.342 2.554) 4.206 1.495 ( -0.000 7.682 -1.862) 7.905 1.556 ( 0.000 -1.767 4.090) 4.455 1.608 ( 0.000 -0.447 1.081) 1.170 1.626 ( 0.000 -2.255 -0.001) 2.255 1.777 ( -0.000 -3.458 -9.231) 9.858 1.789 ( -0.000 -0.267 -6.010) 6.016 1.908 ( 0.000 -4.536 -14.009) 14.725 2.063 ( -0.000 3.308 8.883) 9.479 2.294 ( -0.000 -3.887 1.969) 4.357 2.401 ( -0.000 0.409 -0.244) 0.476 2.475 ( -0.000 -2.368 -8.909) 9.218 2.814 ( -0.000 -2.785 1.480) 3.154 2.815 ( 0.000 -4.103 -2.374) 4.741 2.976 ( -0.000 13.196 11.556) 17.541 3.182 ( -0.000 0.003 2.894) 2.894 3.199 ( -0.000 2.076 -0.950) 2.283 3.338 ( 0.000 0.166 -3.300) 3.304 3.764 ( -0.000 -0.097 8.222) 8.223 3.772 ( -0.000 5.839 4.762) 7.535 3.915 ( -0.000 -4.433 6.403) 7.787 4.006 ( 0.000 -3.914 4.528) 5.985 4.208 ( 0.000 5.119 -8.545) 9.961 4.281 ( -0.000 2.365 -6.489) 6.907 4.785 ( -0.000 4.048 -1.140) 4.206 4.838 ( 0.000 2.003 -4.878) 5.274 4.900 ( 0.000 2.564 0.926) 2.726 4.946 ( 0.000 0.419 -1.016) 1.099 5.461 ( 0.000 1.029 3.488) 3.636 5.599 ( 0.000 -3.649 -4.348) 5.676 5.934 ( -0.000 -5.534 3.241) 6.413 5.984 ( -0.000 -7.557 0.994) 7.622 7.275 ( 0.000 -0.506 0.780) 0.929 7.302 ( -0.000 -1.394 -0.723) 1.570 8.288 ( -0.000 -0.657 0.908) 1.121 8.318 ( -0.000 -1.765 -0.643) 1.879 9.132 ( -0.000 1.599 1.173) 1.984 9.176 ( -0.000 -0.020 -1.221) 1.221 9.557 ( -0.000 0.843 2.829) 2.951 9.580 ( -0.000 1.713 -0.739) 1.865 9.617 ( -0.000 0.490 -1.995) 2.055 9.689 ( -0.000 -3.511 -4.419) 5.644 10.248 ( -0.000 3.608 6.656) 7.571 10.428 ( -0.000 -2.161 2.424) 3.248 10.627 ( 0.000 2.116 -0.396) 2.153 10.894 ( -0.000 -6.074 -9.861) 11.582 11.264 ( -0.000 1.228 2.018) 2.363 11.276 ( -0.000 0.372 1.208) 1.264 ======================= Grid point 295 (110/125) ======================= q-point: ( 0.78 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 2.674 2.108 2.122) 4.012 0.866 ( 0.840 0.493 -0.390) 1.049 1.006 ( -3.790 1.499 1.707) 4.419 1.213 ( -7.695 1.753 3.548) 8.653 1.298 ( -0.108 8.224 0.702) 8.255 1.353 ( 0.400 7.451 -1.989) 7.722 1.463 ( 3.438 2.422 -2.640) 4.966 1.518 ( 1.777 -2.251 -0.186) 2.874 1.540 ( 0.547 -0.709 2.142) 2.321 1.614 ( -6.330 -0.390 -0.214) 6.346 1.687 ( -2.496 1.729 -1.079) 3.222 1.735 ( -4.699 -1.939 -2.230) 5.550 1.787 ( -3.846 -3.502 -8.102) 9.628 1.857 ( -4.297 -0.970 -6.906) 8.191 2.099 ( 0.410 -0.396 5.463) 5.492 2.289 ( -2.157 -3.290 0.820) 4.019 2.354 ( 3.988 -1.268 -3.196) 5.265 2.438 ( 0.288 0.835 -4.630) 4.713 2.735 ( 3.093 -3.098 1.707) 4.698 2.834 ( -1.512 0.777 -0.578) 1.796 3.054 ( 7.696 7.495 6.111) 12.359 3.125 ( 6.049 -0.012 0.644) 6.083 3.235 ( 0.436 -0.573 1.599) 1.753 3.326 ( 0.050 4.278 0.610) 4.321 3.771 ( 3.916 0.423 4.372) 5.884 3.806 ( 3.000 2.643 4.848) 6.284 3.897 ( 2.025 -2.767 6.952) 7.751 3.983 ( 1.033 -3.728 3.572) 5.266 4.161 ( 4.548 3.367 -8.262) 10.014 4.260 ( 0.739 2.589 -5.172) 5.831 4.759 ( 5.116 1.866 -1.319) 5.603 4.799 ( 3.173 2.321 -1.828) 4.335 4.877 ( 3.709 1.023 -1.555) 4.149 4.963 ( -0.867 1.168 0.151) 1.462 5.475 ( 1.107 0.284 1.932) 2.245 5.553 ( -0.133 -2.179 -2.552) 3.359 5.906 ( -0.002 -4.857 1.288) 5.025 5.935 ( -0.795 -4.800 0.448) 4.886 7.379 ( -11.787 -0.697 -0.100) 11.808 7.416 ( -13.059 -0.314 0.134) 13.063 8.279 ( 1.027 -0.420 0.528) 1.229 8.292 ( 0.993 -1.080 -0.291) 1.496 9.104 ( 4.462 0.638 0.017) 4.507 9.159 ( 0.793 0.336 0.423) 0.959 9.533 ( 5.809 1.205 -0.769) 5.982 9.571 ( 4.690 0.458 -0.698) 4.764 9.630 ( -4.546 -0.572 0.338) 4.594 9.697 ( -6.170 -1.478 -1.750) 6.582 10.297 ( 2.284 3.267 6.888) 7.958 10.428 ( -0.359 -0.506 -0.063) 0.624 10.552 ( 5.478 -2.262 -2.876) 6.588 10.911 ( -8.971 -2.498 -4.917) 10.531 11.216 ( 3.984 0.014 1.294) 4.188 11.341 ( -2.982 0.950 0.373) 3.152 ======================= Grid point 296 (111/125) ======================= q-point: ( 0.89 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.557 0.382 -0.216) 0.709 0.825 ( 2.848 0.455 -1.442) 3.225 1.142 ( -10.414 -0.198 0.182) 10.417 1.282 ( 5.817 -1.360 0.239) 5.979 1.337 ( 3.672 -0.064 -2.766) 4.598 1.368 ( 0.011 5.918 2.745) 6.524 1.398 ( 0.194 5.066 -2.362) 5.593 1.513 ( -3.440 -4.494 0.704) 5.703 1.543 ( -1.626 -1.073 1.110) 2.242 1.750 ( 0.222 1.192 1.585) 1.995 1.774 ( -5.724 -0.523 1.184) 5.869 1.804 ( -11.353 0.820 -2.407) 11.634 1.816 ( -4.953 -0.198 -4.408) 6.634 1.947 ( -7.528 0.123 -0.920) 7.585 2.165 ( -7.378 -2.052 1.559) 7.815 2.247 ( 3.605 -0.609 -3.487) 5.052 2.305 ( 0.841 -1.175 5.204) 5.401 2.375 ( 3.499 -0.153 -6.149) 7.077 2.683 ( 1.573 -1.404 1.853) 2.807 2.864 ( 2.552 5.394 -0.230) 5.972 2.942 ( 9.219 -0.289 2.549) 9.570 2.971 ( 8.969 -1.742 -2.063) 9.367 3.197 ( 2.106 -0.257 0.494) 2.178 3.385 ( 0.506 3.820 3.151) 4.978 3.677 ( 7.082 -1.338 0.761) 7.248 3.765 ( 5.512 0.206 2.013) 5.872 3.873 ( 3.894 -0.166 8.901) 9.717 3.973 ( 0.527 1.651 -0.907) 1.956 4.032 ( 5.155 -1.153 -6.025) 8.013 4.229 ( 3.289 1.666 -1.399) 3.943 4.649 ( 7.048 0.390 -0.635) 7.087 4.754 ( 3.371 1.338 1.927) 4.107 4.805 ( 2.684 0.471 -4.191) 4.999 4.979 ( 0.063 0.317 0.175) 0.367 5.439 ( 2.974 -0.684 -0.076) 3.053 5.542 ( -0.088 0.000 -0.064) 0.109 5.870 ( 0.399 -2.741 -0.021) 2.770 5.941 ( -2.143 -1.494 0.389) 2.641 7.658 ( -19.339 -0.286 -0.160) 19.342 7.714 ( -19.367 0.154 0.169) 19.368 8.249 ( 1.941 -0.232 0.072) 1.956 8.270 ( 0.899 -0.294 0.144) 0.957 9.022 ( 4.377 0.152 -0.223) 4.385 9.162 ( -0.442 0.242 0.794) 0.940 9.383 ( 11.022 0.233 -0.638) 11.043 9.443 ( 9.967 0.310 -0.095) 9.972 9.714 ( -5.758 -0.803 -0.487) 5.834 9.834 ( -9.191 0.061 0.106) 9.192 10.277 ( 6.285 1.686 3.987) 7.632 10.413 ( 0.729 1.168 -4.990) 5.176 10.472 ( -1.038 -3.635 1.630) 4.117 11.040 ( -7.199 -0.175 -0.001) 7.201 11.146 ( 3.836 -0.187 -0.688) 3.901 11.394 ( -2.182 0.417 0.020) 2.222 ======================= Grid point 305 (112/125) ======================= q-point: ( 0.78 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -0.000 1.932 4.423) 4.826 0.839 ( 0.000 0.460 0.021) 0.461 1.007 ( 0.000 4.245 6.229) 7.538 1.078 ( 0.000 2.564 -6.567) 7.050 1.226 ( -0.000 8.302 3.072) 8.852 1.263 ( 0.000 8.880 -3.453) 9.528 1.469 ( -0.000 3.806 1.731) 4.182 1.482 ( -0.000 5.660 -0.872) 5.727 1.601 ( -0.000 -1.430 4.072) 4.315 1.627 ( 0.000 -1.307 -0.293) 1.339 1.635 ( 0.000 -2.423 3.711) 4.432 1.688 ( -0.000 -3.560 -6.917) 7.780 1.743 ( 0.000 -2.157 -1.501) 2.628 1.783 ( -0.000 -3.917 -8.683) 9.526 2.168 ( 0.000 -0.607 10.364) 10.381 2.270 ( -0.000 -4.317 -7.253) 8.440 2.398 ( 0.000 0.227 -0.256) 0.342 2.405 ( 0.000 0.450 -2.670) 2.708 2.804 ( -0.000 -2.366 -0.036) 2.366 2.810 ( -0.000 -1.942 -0.967) 2.169 3.106 ( -0.000 10.417 10.503) 14.792 3.178 ( -0.000 4.997 -3.416) 6.053 3.218 ( 0.000 0.037 4.371) 4.371 3.282 ( 0.000 1.634 -6.702) 6.898 3.818 ( -0.000 4.784 3.024) 5.660 3.823 ( -0.000 2.132 2.446) 3.245 3.983 ( -0.000 -3.870 6.116) 7.238 4.034 ( -0.000 -3.885 -1.641) 4.217 4.153 ( -0.000 3.613 0.655) 3.672 4.206 ( -0.000 1.873 -7.029) 7.275 4.778 ( -0.000 3.735 0.242) 3.743 4.795 ( -0.000 3.044 -2.933) 4.227 4.914 ( 0.000 1.673 1.612) 2.323 4.932 ( 0.000 0.953 -1.605) 1.867 5.503 ( -0.000 -0.685 4.287) 4.341 5.551 ( -0.000 -2.333 -4.560) 5.122 5.966 ( 0.000 -6.799 2.472) 7.234 5.984 ( -0.000 -7.578 -0.930) 7.635 7.284 ( -0.000 -0.667 0.909) 1.127 7.294 ( -0.000 -0.981 -0.901) 1.332 8.299 ( -0.000 -0.997 1.048) 1.446 8.309 ( -0.000 -1.391 -0.919) 1.667 9.146 ( -0.000 1.151 1.445) 1.848 9.162 ( 0.000 0.585 -1.473) 1.585 9.579 ( -0.000 1.312 0.502) 1.405 9.584 ( 0.000 0.354 0.790) 0.866 9.605 ( 0.000 -0.132 1.330) 1.336 9.642 ( 0.000 -2.110 -4.240) 4.736 10.324 ( -0.000 3.822 7.406) 8.334 10.400 ( -0.000 2.836 -6.140) 6.763 10.680 ( -0.000 -4.040 8.704) 9.596 10.785 ( -0.000 -5.813 -10.270) 11.801 11.279 ( -0.000 1.044 0.878) 1.364 11.283 ( 0.000 0.754 0.143) 0.767 ======================= Grid point 306 (113/125) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 3.329 0.977 0.000) 3.469 0.862 ( 1.745 1.097 0.000) 2.061 1.014 ( -3.188 0.514 0.000) 3.229 1.234 ( -8.685 5.270 0.000) 10.158 1.313 ( 0.258 7.447 0.000) 7.452 1.335 ( -1.314 5.522 0.000) 5.676 1.436 ( 4.931 1.897 0.000) 5.284 1.519 ( 2.615 -2.322 -0.000) 3.497 1.567 ( 2.138 -3.421 -0.000) 4.034 1.601 ( -6.385 2.501 0.000) 6.857 1.702 ( -2.988 -1.633 -0.000) 3.405 1.711 ( -5.652 -0.437 0.000) 5.669 1.739 ( -4.364 -2.134 -0.000) 4.858 1.816 ( -6.277 -0.991 0.000) 6.354 2.137 ( 1.017 -3.528 -0.000) 3.672 2.279 ( -3.029 -1.608 -0.000) 3.430 2.340 ( 3.864 -1.284 -0.000) 4.071 2.415 ( 1.393 1.490 0.000) 2.039 2.744 ( 2.450 -2.729 -0.000) 3.668 2.830 ( -1.431 1.414 0.000) 2.012 3.090 ( 8.550 5.455 0.000) 10.142 3.127 ( 6.997 -0.339 -0.000) 7.005 3.247 ( 1.553 -1.537 -0.000) 2.185 3.327 ( -2.201 8.396 0.000) 8.680 3.794 ( 4.576 0.052 -0.000) 4.576 3.835 ( 2.377 1.438 0.000) 2.778 3.971 ( 1.570 0.051 -0.000) 1.571 3.972 ( 2.053 -3.110 -0.000) 3.726 4.116 ( 5.132 0.710 -0.000) 5.181 4.226 ( -0.536 3.019 0.000) 3.066 4.751 ( 5.165 1.720 0.000) 5.444 4.790 ( 2.420 3.075 0.000) 3.913 4.868 ( 4.605 0.402 -0.000) 4.622 4.964 ( -1.012 1.312 0.000) 1.657 5.489 ( 1.678 -1.451 -0.000) 2.219 5.536 ( -0.820 -0.574 -0.000) 1.001 5.914 ( 0.466 -5.659 -0.000) 5.678 5.937 ( -1.109 -4.513 -0.000) 4.647 7.379 ( -11.630 -0.728 0.000) 11.653 7.417 ( -13.143 -0.179 0.000) 13.144 8.283 ( 1.302 -0.647 -0.000) 1.454 8.290 ( 0.720 -0.815 -0.000) 1.087 9.104 ( 4.653 0.519 -0.000) 4.682 9.161 ( 0.418 0.482 0.000) 0.638 9.529 ( 5.977 0.950 -0.000) 6.053 9.567 ( 4.559 0.784 -0.000) 4.626 9.632 ( -3.859 -1.708 -0.000) 4.221 9.687 ( -7.093 -0.448 0.000) 7.108 10.361 ( 3.623 4.581 0.000) 5.841 10.391 ( 0.242 1.887 0.000) 1.903 10.549 ( 4.903 -6.560 -0.000) 8.190 10.882 ( -10.450 -2.064 -0.000) 10.652 11.223 ( 4.092 -0.047 -0.000) 4.092 11.343 ( -2.766 1.071 0.000) 2.966 ======================= Grid point 334 (114/125) ======================= q-point: ( 0.44 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -2.215 -0.000 3.538) 4.174 0.899 ( -1.731 -0.000 -0.884) 1.943 1.209 ( -1.213 0.000 -0.091) 1.216 1.219 ( -3.023 -0.000 -2.102) 3.682 1.327 ( 0.898 -0.000 2.377) 2.541 1.355 ( 0.603 -0.000 -2.645) 2.713 1.525 ( -1.355 -0.000 1.030) 1.702 1.536 ( -2.148 -0.000 -1.162) 2.442 1.708 ( -1.808 -0.000 1.351) 2.257 1.711 ( -4.209 0.000 1.883) 4.611 1.914 ( 3.378 -0.000 9.736) 10.306 1.959 ( 3.897 -0.000 0.690) 3.958 2.059 ( 6.658 -0.000 3.746) 7.639 2.143 ( -1.917 -0.000 -4.211) 4.627 2.196 ( -10.694 -0.000 -1.632) 10.818 2.202 ( -4.169 0.000 -7.691) 8.749 2.278 ( -1.319 -0.000 1.193) 1.779 2.299 ( -1.336 -0.000 -2.533) 2.864 2.788 ( 4.647 -0.000 8.104) 9.342 2.806 ( 7.455 -0.000 5.761) 9.422 2.884 ( -1.889 -0.000 1.165) 2.219 2.911 ( -0.411 -0.000 -2.725) 2.756 3.026 ( 1.755 0.001 -5.110) 5.403 3.026 ( 2.327 -0.001 -5.899) 6.342 3.552 ( 4.658 -0.000 3.756) 5.983 3.616 ( 3.473 -0.000 -8.286) 8.985 3.652 ( 0.928 0.000 1.041) 1.395 3.664 ( 1.273 -0.000 -0.985) 1.609 4.164 ( 8.193 -0.000 1.180) 8.277 4.170 ( 8.107 0.000 -0.006) 8.107 4.626 ( 6.068 -0.000 3.732) 7.124 4.658 ( 5.270 -0.000 -2.245) 5.728 4.955 ( -1.125 -0.000 0.992) 1.500 4.961 ( -0.399 -0.000 -0.309) 0.504 5.447 ( 2.909 -0.000 3.435) 4.501 5.482 ( 1.772 -0.000 -3.028) 3.508 5.900 ( -1.512 -0.000 1.939) 2.459 5.921 ( -1.937 -0.000 -2.070) 2.835 8.038 ( -20.065 -0.000 0.645) 20.075 8.046 ( -19.652 -0.000 -0.714) 19.665 8.216 ( 1.048 -0.000 0.484) 1.154 8.224 ( 1.069 -0.000 -0.871) 1.379 9.027 ( 1.412 -0.000 2.646) 2.999 9.056 ( 1.791 -0.000 -2.876) 3.388 9.212 ( 13.234 -0.000 0.663) 13.251 9.219 ( 13.893 -0.000 -0.535) 13.903 9.874 ( -4.943 -0.000 2.727) 5.645 9.905 ( -5.274 -0.000 -3.097) 6.116 10.220 ( -0.632 -0.000 4.811) 4.853 10.280 ( -1.369 -0.000 -6.263) 6.410 10.724 ( 1.201 0.000 9.509) 9.584 10.821 ( 1.642 -0.000 -8.653) 8.807 11.345 ( -1.155 -0.000 4.116) 4.275 11.382 ( -0.829 0.000 -2.866) 2.984 ======================= Grid point 344 (115/125) ======================= q-point: ( 0.44 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -3.096 1.207 0.000) 3.323 0.854 ( -2.312 -0.572 -0.000) 2.382 1.088 ( -7.490 5.317 0.000) 9.185 1.167 ( -4.602 -3.951 -0.000) 6.065 1.346 ( 1.181 2.894 0.000) 3.126 1.384 ( 2.032 -1.602 -0.000) 2.587 1.481 ( -1.298 2.214 0.000) 2.566 1.484 ( -2.468 2.097 0.000) 3.239 1.669 ( -1.392 2.624 0.000) 2.971 1.677 ( -0.979 1.135 0.000) 1.499 1.967 ( -7.706 2.087 0.000) 7.984 1.975 ( -8.802 2.802 0.000) 9.237 2.024 ( 2.060 0.211 -0.000) 2.071 2.033 ( 2.007 -0.322 -0.000) 2.033 2.121 ( 1.181 4.011 0.000) 4.181 2.263 ( 3.493 -9.189 -0.000) 9.830 2.299 ( 3.616 -0.563 -0.000) 3.659 2.310 ( 1.738 -0.810 -0.000) 1.917 2.739 ( -3.526 9.775 0.000) 10.392 2.890 ( 1.410 -0.478 -0.000) 1.489 2.954 ( 1.542 -3.655 -0.000) 3.967 2.978 ( 8.077 -0.982 -0.000) 8.136 3.015 ( 3.096 1.391 0.000) 3.394 3.127 ( 2.847 -9.675 -0.000) 10.085 3.598 ( 0.412 7.487 0.000) 7.498 3.632 ( 5.464 4.992 0.000) 7.401 3.711 ( -0.420 -5.478 -0.000) 5.494 3.722 ( 5.617 -5.890 -0.000) 8.139 4.293 ( 8.341 3.489 0.000) 9.041 4.330 ( 7.125 -0.699 -0.000) 7.159 4.739 ( 6.169 2.225 0.000) 6.558 4.761 ( 6.886 -0.346 -0.000) 6.894 4.933 ( -0.625 1.397 0.000) 1.530 4.949 ( -0.799 -0.365 -0.000) 0.878 5.458 ( 2.029 5.711 0.000) 6.061 5.555 ( 2.147 -5.612 -0.000) 6.009 5.881 ( -1.674 -0.551 -0.000) 1.763 5.892 ( -1.376 -1.889 -0.000) 2.337 7.683 ( -19.505 0.071 0.000) 19.505 7.688 ( -19.273 -0.625 0.000) 19.283 8.248 ( 1.431 -0.136 -0.000) 1.438 8.253 ( 2.026 -0.745 -0.000) 2.159 9.064 ( 2.615 1.044 0.000) 2.816 9.079 ( 2.243 -0.727 -0.000) 2.358 9.433 ( 10.938 1.158 -0.000) 10.999 9.447 ( 11.142 -0.544 -0.000) 11.155 9.765 ( -7.027 2.289 0.000) 7.390 9.809 ( -5.365 -2.811 -0.000) 6.056 10.220 ( -2.262 -0.189 0.000) 2.269 10.235 ( -1.059 -1.785 -0.000) 2.075 10.785 ( 3.612 4.508 0.000) 5.777 10.857 ( 4.007 -3.941 -0.000) 5.620 11.295 ( -2.481 3.939 0.000) 4.655 11.358 ( -3.952 -3.489 -0.000) 5.272 ======================= Grid point 354 (116/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -0.000 2.616 0.000) 2.616 0.757 ( -0.000 1.888 0.000) 1.888 0.951 ( -0.000 5.601 0.000) 5.601 1.052 ( 0.000 -5.672 -0.000) 5.672 1.398 ( -0.000 3.339 0.000) 3.339 1.436 ( 0.000 -1.147 -0.000) 1.147 1.467 ( -0.000 4.823 0.000) 4.823 1.473 ( -0.000 2.914 0.000) 2.914 1.551 ( -0.000 0.829 0.000) 0.829 1.588 ( 0.000 -2.860 -0.000) 2.860 1.836 ( -0.000 9.070 0.000) 9.070 1.957 ( 0.000 -5.208 -0.000) 5.208 1.958 ( -0.000 7.152 0.000) 7.152 2.068 ( 0.000 -5.919 -0.000) 5.919 2.156 ( -0.000 7.493 0.000) 7.493 2.310 ( 0.000 -10.866 -0.000) 10.866 2.387 ( -0.000 3.754 0.000) 3.754 2.423 ( 0.000 -0.316 -0.000) 0.316 2.652 ( -0.000 9.842 0.000) 9.842 2.848 ( 0.000 -12.743 -0.000) 12.743 3.033 ( -0.000 7.787 0.000) 7.787 3.109 ( -0.000 0.641 0.000) 0.641 3.118 ( 0.000 -1.777 -0.000) 1.777 3.205 ( 0.000 -10.312 -0.000) 10.312 3.574 ( -0.000 7.160 0.000) 7.160 3.681 ( 0.000 -5.314 -0.000) 5.314 3.788 ( -0.000 4.280 0.000) 4.280 3.861 ( 0.000 -4.457 -0.000) 4.457 4.449 ( -0.000 2.607 0.000) 2.607 4.463 ( -0.000 1.123 0.000) 1.123 4.886 ( -0.000 3.617 0.000) 3.617 4.929 ( -0.000 1.650 0.000) 1.650 4.932 ( 0.000 -1.951 -0.000) 1.951 4.945 ( 0.000 -0.534 -0.000) 0.534 5.490 ( -0.000 5.617 0.000) 5.617 5.590 ( 0.000 -6.084 -0.000) 6.084 5.837 ( 0.000 -0.076 -0.000) 0.076 5.861 ( 0.000 -2.844 -0.000) 2.844 7.261 ( -0.000 0.584 0.000) 0.584 7.280 ( 0.000 -1.609 -0.000) 1.609 8.275 ( -0.000 0.495 0.000) 0.495 8.293 ( 0.000 -1.569 -0.000) 1.569 9.148 ( -0.000 1.935 0.000) 1.935 9.176 ( 0.000 -1.403 -0.000) 1.403 9.574 ( -0.000 4.210 0.000) 4.210 9.627 ( 0.000 -0.929 -0.000) 0.929 9.664 ( -0.000 0.167 0.000) 0.167 9.690 ( 0.000 -4.057 -0.000) 4.057 10.171 ( -0.000 2.489 0.000) 2.489 10.213 ( 0.000 -2.431 -0.000) 2.431 10.889 ( -0.000 6.719 0.000) 6.719 11.006 ( 0.000 -7.039 -0.000) 7.039 11.204 ( -0.000 0.739 0.000) 0.739 11.208 ( -0.000 0.267 0.000) 0.267 ======================= Grid point 355 (117/125) ======================= q-point: ( 0.56 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -2.292 -0.000 -2.489) 3.384 0.814 ( -3.227 0.000 3.292) 4.610 1.029 ( -3.578 -0.000 -0.974) 3.708 1.045 ( -4.402 0.000 2.277) 4.956 1.391 ( 2.252 -0.000 0.162) 2.258 1.396 ( 1.131 0.000 1.207) 1.655 1.485 ( 0.284 -0.000 -0.481) 0.559 1.486 ( 0.443 -0.000 -0.250) 0.509 1.622 ( -4.690 -0.000 -1.455) 4.910 1.639 ( -5.502 0.000 1.625) 5.737 1.848 ( -0.791 -0.000 -8.184) 8.222 1.925 ( -0.587 0.000 5.494) 5.525 2.009 ( -1.319 -0.000 -4.978) 5.150 2.045 ( 1.240 -0.000 -1.453) 1.910 2.192 ( -0.182 -0.000 -6.030) 6.033 2.200 ( 0.260 -0.000 -8.628) 8.632 2.380 ( 3.979 0.000 5.489) 6.780 2.403 ( 4.149 0.000 8.957) 9.872 2.746 ( -2.161 -0.000 -5.784) 6.175 2.781 ( -2.599 0.000 1.062) 2.807 3.073 ( 4.622 -0.000 -0.439) 4.643 3.090 ( 2.936 0.000 0.932) 3.081 3.097 ( 1.781 0.000 3.386) 3.826 3.099 ( 2.986 0.000 4.753) 5.613 3.640 ( -0.669 0.000 0.638) 0.925 3.655 ( -1.199 0.000 3.133) 3.355 3.772 ( 5.352 -0.000 -0.661) 5.393 3.789 ( 4.223 0.000 2.495) 4.905 4.420 ( 4.247 -0.000 -2.141) 4.756 4.424 ( 4.072 -0.000 -1.251) 4.260 4.855 ( 5.348 -0.000 -1.932) 5.687 4.864 ( 4.817 -0.000 -0.441) 4.837 4.935 ( 0.295 -0.000 -0.328) 0.441 4.943 ( -0.100 0.000 1.182) 1.186 5.526 ( 1.093 -0.000 -1.317) 1.711 5.536 ( 0.559 0.000 0.440) 0.711 5.853 ( -1.040 -0.000 -0.202) 1.059 5.859 ( -1.413 0.000 0.893) 1.672 7.385 ( -12.672 0.000 -0.628) 12.687 7.393 ( -12.972 0.000 0.744) 12.993 8.273 ( 1.033 -0.000 -0.010) 1.033 8.274 ( 0.924 0.000 0.141) 0.935 9.123 ( 3.651 -0.000 -0.690) 3.716 9.132 ( 2.979 0.000 0.874) 3.105 9.589 ( 5.454 -0.000 -0.561) 5.482 9.590 ( 4.766 -0.000 -0.306) 4.775 9.678 ( -3.835 -0.000 -1.174) 4.010 9.687 ( -4.897 0.000 0.521) 4.924 10.194 ( -0.277 -0.000 -0.406) 0.492 10.217 ( -1.513 0.000 3.787) 4.078 10.856 ( 5.278 -0.000 -8.629) 10.115 10.935 ( 2.886 0.000 5.710) 6.397 11.233 ( -3.643 -0.000 -4.201) 5.560 11.279 ( -4.418 0.000 4.082) 6.015 ======================= Grid point 365 (118/125) ======================= q-point: ( 0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.000 2.023 1.696) 2.640 0.767 ( 0.000 2.274 2.273) 3.216 0.959 ( 0.000 5.327 1.464) 5.525 1.054 ( 0.000 -5.369 0.455) 5.389 1.405 ( 0.000 3.531 1.263) 3.751 1.427 ( 0.000 2.789 -1.295) 3.075 1.472 ( 0.000 2.798 -0.149) 2.802 1.477 ( 0.000 1.488 1.438) 2.069 1.551 ( -0.000 0.536 0.001) 0.536 1.585 ( 0.000 -2.936 -0.460) 2.972 1.790 ( 0.000 8.037 -6.934) 10.615 1.901 ( -0.000 -5.207 -8.032) 9.573 1.983 ( 0.000 7.929 1.128) 8.009 2.088 ( -0.000 5.052 -7.916) 9.391 2.110 ( 0.000 -6.470 4.134) 7.678 2.177 ( 0.000 -5.271 -14.556) 15.481 2.452 ( 0.000 2.309 1.974) 3.038 2.475 ( 0.000 -1.261 7.086) 7.197 2.673 ( 0.000 5.738 4.608) 7.360 2.806 ( 0.000 -9.785 -5.738) 11.343 3.048 ( 0.000 9.524 2.746) 9.912 3.125 ( 0.000 0.652 2.617) 2.697 3.145 ( 0.000 -2.002 3.690) 4.198 3.226 ( 0.000 -10.238 3.645) 10.868 3.604 ( 0.000 6.166 5.527) 8.280 3.703 ( 0.000 -4.999 4.035) 6.424 3.795 ( 0.000 4.136 1.386) 4.362 3.868 ( 0.000 -4.438 1.372) 4.645 4.432 ( 0.000 2.264 -3.086) 3.828 4.440 ( -0.000 1.552 -4.281) 4.553 4.875 ( 0.000 3.291 -1.703) 3.705 4.917 ( 0.000 -1.815 -2.257) 2.896 4.935 ( -0.000 1.749 0.732) 1.896 4.951 ( -0.000 -0.363 0.527) 0.640 5.488 ( 0.000 5.215 -0.270) 5.222 5.582 ( -0.000 -5.747 -1.438) 5.924 5.842 ( 0.000 -0.269 0.897) 0.936 5.866 ( 0.000 -3.081 0.884) 3.205 7.263 ( 0.000 0.548 0.259) 0.606 7.281 ( -0.000 -1.538 0.080) 1.540 8.276 ( 0.000 0.477 0.164) 0.504 8.293 ( 0.000 -1.518 0.044) 1.518 9.149 ( 0.000 1.856 0.153) 1.862 9.176 ( -0.000 -1.320 -0.107) 1.324 9.574 ( -0.000 3.865 -0.002) 3.865 9.621 ( 0.000 -0.709 -0.946) 1.182 9.657 ( 0.000 0.153 -1.104) 1.115 9.683 ( 0.000 -3.826 -1.363) 4.062 10.189 ( -0.000 2.719 3.284) 4.263 10.235 ( -0.000 -2.817 4.149) 5.015 10.856 ( -0.000 6.647 -5.724) 8.772 10.970 ( 0.000 -6.747 -6.102) 9.097 11.221 ( 0.000 0.723 2.726) 2.821 11.227 ( 0.000 0.031 2.840) 2.840 ======================= Grid point 366 (119/125) ======================= q-point: ( 0.67 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -0.404 -0.000 -0.763) 0.863 0.847 ( -2.619 0.000 2.475) 3.603 1.022 ( -3.118 0.000 -0.341) 3.137 1.081 ( -5.818 0.000 4.501) 7.356 1.399 ( 3.361 0.000 1.241) 3.583 1.417 ( 0.355 0.000 2.513) 2.538 1.476 ( 0.202 -0.000 -1.194) 1.211 1.480 ( 0.372 -0.000 -0.869) 0.945 1.608 ( -3.567 -0.000 -1.179) 3.757 1.657 ( -6.273 0.000 1.751) 6.512 1.752 ( -1.653 -0.000 -10.006) 10.142 1.911 ( -5.427 -0.000 -6.812) 8.710 1.944 ( 4.411 -0.000 -13.665) 14.359 2.007 ( 4.664 0.000 2.449) 5.268 2.083 ( -3.231 -0.000 -10.078) 10.583 2.189 ( -2.449 0.000 3.444) 4.225 2.417 ( 3.489 -0.000 -0.537) 3.530 2.492 ( 2.806 0.000 5.351) 6.042 2.680 ( 0.207 -0.000 -4.600) 4.605 2.797 ( -2.431 0.000 2.677) 3.616 3.075 ( 5.894 0.000 0.893) 5.961 3.104 ( 4.969 0.000 1.511) 5.194 3.158 ( 1.095 0.000 5.265) 5.377 3.168 ( 0.369 0.000 9.019) 9.026 3.672 ( 0.498 0.000 5.265) 5.289 3.701 ( -0.614 0.000 5.183) 5.219 3.774 ( 5.906 0.000 1.292) 6.046 3.825 ( 2.559 0.000 4.378) 5.071 4.377 ( 4.238 -0.000 -5.895) 7.260 4.396 ( 3.368 -0.000 -3.917) 5.166 4.828 ( 5.695 -0.000 -2.826) 6.357 4.850 ( 4.291 -0.000 -1.909) 4.697 4.931 ( 1.047 -0.000 -0.747) 1.286 4.957 ( -0.292 0.000 1.225) 1.259 5.509 ( 1.483 -0.000 -1.757) 2.299 5.537 ( -0.057 -0.000 -0.150) 0.161 5.854 ( -0.573 0.000 0.306) 0.650 5.871 ( -1.648 0.000 1.266) 2.078 7.380 ( -12.322 0.000 -0.465) 12.331 7.401 ( -13.187 0.000 0.751) 13.208 8.273 ( 1.113 -0.000 0.100) 1.118 8.276 ( 0.808 0.000 0.253) 0.847 9.117 ( 4.155 -0.000 -0.520) 4.187 9.142 ( 2.178 0.000 1.020) 2.406 9.578 ( 5.937 -0.000 -1.417) 6.104 9.584 ( 4.141 -0.000 -0.673) 4.196 9.663 ( -3.171 -0.000 -1.744) 3.619 9.690 ( -5.978 0.000 -0.028) 5.978 10.209 ( 1.246 0.000 3.173) 3.409 10.271 ( -2.171 0.000 6.116) 6.490 10.756 ( 6.279 -0.000 -9.866) 11.695 10.968 ( -2.231 0.000 0.117) 2.234 11.200 ( -0.300 -0.000 -1.491) 1.520 11.316 ( -4.075 0.000 2.782) 4.934 ======================= Grid point 376 (120/125) ======================= q-point: ( 0.67 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 2.287 2.526) 3.408 0.799 ( -0.000 1.372 3.345) 3.615 0.981 ( -0.000 4.693 2.740) 5.435 1.063 ( -0.000 -4.654 1.247) 4.818 1.412 ( 0.000 7.266 -1.631) 7.447 1.423 ( 0.000 4.679 1.888) 5.046 1.471 ( 0.000 1.899 -0.012) 1.899 1.493 ( 0.000 -1.542 1.698) 2.294 1.554 ( 0.000 -0.273 0.735) 0.784 1.579 ( -0.000 -3.130 -0.577) 3.183 1.709 ( 0.000 6.706 -7.724) 10.228 1.808 ( 0.000 -4.948 -9.095) 10.354 1.909 ( 0.000 4.010 -11.394) 12.079 1.990 ( 0.000 -5.376 -15.990) 16.870 2.083 ( 0.000 5.836 3.937) 7.040 2.179 ( -0.000 -5.291 4.583) 7.000 2.444 ( 0.000 3.107 -2.505) 3.991 2.496 ( 0.000 -2.794 -2.938) 4.054 2.737 ( 0.000 -0.036 5.643) 5.643 2.766 ( 0.000 -4.068 -1.066) 4.205 3.096 ( 0.000 11.791 6.624) 13.524 3.157 ( 0.000 0.851 3.119) 3.233 3.180 ( -0.000 -1.739 2.704) 3.215 3.273 ( 0.000 -8.209 4.661) 9.440 3.684 ( 0.000 3.973 8.652) 9.521 3.764 ( 0.000 -4.620 6.916) 8.317 3.817 ( -0.000 4.214 2.783) 5.050 3.892 ( 0.000 -4.420 3.133) 5.417 4.375 ( 0.000 2.527 -7.588) 7.998 4.383 ( 0.000 1.392 -5.910) 6.071 4.855 ( -0.000 2.674 -1.912) 3.288 4.888 ( 0.000 -1.185 -3.159) 3.374 4.939 ( -0.000 1.795 0.094) 1.798 4.954 ( -0.000 -0.152 0.041) 0.157 5.486 ( 0.000 4.064 0.022) 4.064 5.562 ( -0.000 -4.805 -2.146) 5.263 5.854 ( -0.000 -0.838 1.358) 1.596 5.877 ( -0.000 -3.517 1.031) 3.665 7.267 ( -0.000 0.429 0.435) 0.611 7.282 ( -0.000 -1.320 0.063) 1.321 8.279 ( -0.000 0.382 0.337) 0.510 8.294 ( 0.000 -1.351 0.030) 1.351 9.151 ( -0.000 1.616 0.322) 1.647 9.174 ( -0.000 -1.058 -0.216) 1.080 9.575 ( 0.000 2.940 0.220) 2.948 9.609 ( -0.000 -0.234 -1.233) 1.255 9.641 ( -0.000 0.134 -1.799) 1.804 9.663 ( -0.000 -3.206 -2.249) 3.917 10.239 ( -0.000 3.255 5.843) 6.688 10.296 ( 0.000 -3.603 6.854) 7.743 10.780 ( 0.000 6.381 -8.000) 10.233 10.888 ( -0.000 -6.456 -8.641) 10.786 11.253 ( -0.000 0.607 2.841) 2.905 11.258 ( 0.000 -0.029 2.670) 2.670 ======================= Grid point 377 (121/125) ======================= q-point: ( 0.78 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 1.594 0.000 0.655) 1.724 0.865 ( -0.985 0.000 0.980) 1.390 1.020 ( -2.745 0.000 -0.071) 2.746 1.141 ( -7.420 0.000 6.661) 9.971 1.414 ( 4.036 0.000 1.284) 4.235 1.446 ( 0.857 0.000 2.034) 2.207 1.461 ( 0.742 -0.000 -1.527) 1.697 1.473 ( -0.831 0.000 0.369) 0.909 1.591 ( 2.839 -0.000 -3.569) 4.561 1.640 ( -6.084 -0.000 -8.761) 10.666 1.677 ( -6.753 0.000 2.023) 7.049 1.811 ( 1.977 -0.000 -10.388) 10.575 1.831 ( -6.154 -0.000 -7.749) 9.895 1.942 ( -1.830 -0.000 -10.055) 10.220 2.071 ( 1.108 0.000 3.060) 3.255 2.228 ( -2.308 0.000 3.274) 4.005 2.383 ( 3.884 -0.000 -4.346) 5.829 2.492 ( -0.537 -0.000 -3.992) 4.028 2.676 ( 3.787 0.000 2.876) 4.755 2.827 ( -3.036 0.000 2.217) 3.759 3.093 ( 6.934 0.000 2.202) 7.276 3.121 ( 7.470 0.000 1.649) 7.650 3.202 ( 0.713 0.000 2.937) 3.023 3.273 ( -1.009 0.000 9.972) 10.022 3.744 ( 1.503 0.000 7.542) 7.691 3.751 ( 2.218 0.000 3.319) 3.992 3.809 ( 4.613 0.000 5.728) 7.354 3.881 ( 0.810 0.000 5.770) 5.827 4.296 ( 4.452 -0.000 -9.042) 10.079 4.344 ( 2.031 -0.000 -5.525) 5.886 4.799 ( 5.806 -0.000 -2.614) 6.367 4.829 ( 3.938 -0.000 -1.663) 4.275 4.915 ( 2.059 -0.000 -2.223) 3.030 4.968 ( -0.546 0.000 0.796) 0.965 5.491 ( 1.712 -0.000 -1.411) 2.218 5.534 ( -0.621 -0.000 -0.250) 0.669 5.858 ( -0.132 0.000 0.398) 0.419 5.884 ( -1.783 0.000 1.134) 2.113 7.375 ( -11.991 0.000 -0.299) 11.995 7.408 ( -13.315 0.000 0.611) 13.329 8.275 ( 1.161 -0.000 0.151) 1.170 8.279 ( 0.713 0.000 0.286) 0.768 9.112 ( 4.499 -0.000 -0.356) 4.513 9.153 ( 1.363 0.000 0.993) 1.686 9.560 ( 6.200 -0.000 -1.690) 6.426 9.577 ( 3.886 -0.000 -0.504) 3.918 9.642 ( -3.091 -0.000 -1.926) 3.642 9.688 ( -6.786 0.000 -0.296) 6.792 10.259 ( 2.611 0.000 6.092) 6.628 10.342 ( -2.173 0.000 6.762) 7.103 10.648 ( 6.706 -0.000 -10.166) 12.179 10.940 ( -7.506 -0.000 -4.532) 8.768 11.201 ( 3.155 0.000 1.257) 3.397 11.339 ( -3.497 0.000 1.463) 3.791 ======================= Grid point 388 (122/125) ======================= q-point: ( 0.78 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.000 2.126 2.413) 3.216 0.832 ( 0.000 0.386 2.480) 2.510 1.017 ( 0.000 3.840 3.766) 5.379 1.079 ( 0.000 -3.480 1.407) 3.754 1.392 ( -0.000 9.524 -1.775) 9.689 1.431 ( -0.000 6.747 -1.033) 6.825 1.482 ( -0.000 0.289 2.616) 2.632 1.517 ( -0.000 -2.991 3.070) 4.286 1.567 ( -0.000 -0.860 1.490) 1.721 1.576 ( 0.000 -3.227 0.169) 3.231 1.632 ( 0.000 4.825 -6.352) 7.977 1.712 ( -0.000 -4.315 -8.610) 9.631 1.794 ( -0.000 1.130 -9.441) 9.508 1.834 ( 0.000 -3.684 -12.620) 13.147 2.126 ( -0.000 4.416 3.841) 5.853 2.212 ( 0.000 -5.434 1.153) 5.555 2.418 ( 0.000 1.501 -1.808) 2.350 2.445 ( 0.000 -1.574 -4.861) 5.110 2.770 ( 0.000 -1.060 0.865) 1.369 2.776 ( 0.000 -1.568 1.708) 2.318 3.182 ( 0.000 7.648 5.784) 9.589 3.189 ( 0.000 3.719 5.493) 6.634 3.201 ( 0.000 -0.899 1.237) 1.530 3.315 ( -0.000 -4.281 2.743) 5.085 3.774 ( 0.000 1.994 7.593) 7.850 3.830 ( 0.000 -3.335 3.925) 5.150 3.866 ( 0.000 3.372 7.132) 7.889 3.936 ( -0.000 -4.238 4.812) 6.412 4.285 ( 0.000 3.336 -8.565) 9.191 4.309 ( 0.000 0.474 -7.657) 7.672 4.835 ( 0.000 2.021 -1.671) 2.623 4.854 ( 0.000 -0.121 -3.016) 3.019 4.938 ( -0.000 1.637 -0.111) 1.641 4.951 ( -0.000 -0.022 -0.472) 0.472 5.490 ( 0.000 2.374 0.691) 2.473 5.539 ( 0.000 -3.354 -2.150) 3.984 5.869 ( 0.000 -1.703 1.324) 2.157 5.886 ( 0.000 -3.702 0.511) 3.737 7.272 ( 0.000 0.205 0.484) 0.525 7.282 ( 0.000 -0.971 -0.067) 0.973 8.283 ( 0.000 0.148 0.447) 0.471 8.293 ( 0.000 -1.056 -0.079) 1.059 9.156 ( 0.000 1.207 0.475) 1.297 9.171 ( 0.000 -0.607 -0.342) 0.697 9.579 ( 0.000 1.668 0.686) 1.804 9.597 ( 0.000 0.162 -0.798) 0.814 9.621 ( 0.000 0.153 -1.798) 1.804 9.637 ( 0.000 -2.288 -2.425) 3.334 10.310 ( 0.000 3.692 7.158) 8.054 10.373 ( 0.000 -3.755 6.842) 7.805 10.696 ( 0.000 5.239 -6.985) 8.731 10.791 ( -0.000 -5.943 -9.213) 10.963 11.278 ( 0.000 0.462 1.799) 1.858 11.281 ( 0.000 0.100 1.596) 1.599 ======================= Grid point 389 (123/125) ======================= q-point: ( 0.89 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 3.034 0.000 0.890) 3.162 0.870 ( 0.536 0.000 0.111) 0.547 1.020 ( -2.351 0.000 -0.010) 2.351 1.217 ( -8.888 0.000 7.041) 11.339 1.413 ( 2.504 -0.000 -2.169) 3.312 1.444 ( 0.473 -0.000 -0.973) 1.082 1.452 ( 4.074 -0.000 0.207) 4.079 1.503 ( -0.724 0.000 3.839) 3.907 1.504 ( 6.017 -0.000 -8.218) 10.185 1.613 ( -7.404 0.000 0.385) 7.414 1.700 ( -6.619 0.000 2.267) 6.996 1.723 ( -0.970 -0.000 -6.093) 6.170 1.753 ( -6.795 -0.000 -6.299) 9.266 1.849 ( -5.393 -0.000 -6.845) 8.715 2.096 ( 2.051 0.000 1.493) 2.537 2.254 ( -3.193 0.000 1.616) 3.579 2.343 ( 4.804 -0.000 -2.670) 5.496 2.447 ( 0.302 -0.000 -3.425) 3.438 2.708 ( 3.317 0.000 2.277) 4.023 2.841 ( -3.453 0.000 0.511) 3.491 3.115 ( 7.043 0.000 1.643) 7.233 3.136 ( 9.670 -0.000 0.970) 9.719 3.225 ( 1.278 0.000 1.476) 1.953 3.366 ( -1.916 0.000 6.609) 6.882 3.775 ( 4.629 0.000 1.589) 4.894 3.816 ( 2.098 0.000 5.104) 5.518 3.887 ( 3.167 0.000 7.834) 8.450 3.943 ( -0.221 0.000 5.339) 5.344 4.192 ( 5.235 -0.000 -9.643) 10.973 4.285 ( 0.346 -0.000 -4.962) 4.974 4.775 ( 5.644 -0.000 -1.638) 5.877 4.818 ( 3.072 -0.000 -0.478) 3.109 4.887 ( 3.691 -0.000 -2.567) 4.496 4.974 ( -0.763 0.000 0.359) 0.843 5.480 ( 1.796 -0.000 -0.686) 1.923 5.532 ( -1.001 0.000 -0.128) 1.009 5.861 ( 0.177 0.000 0.231) 0.291 5.894 ( -1.859 0.000 0.644) 1.968 7.373 ( -11.755 0.000 -0.146) 11.756 7.414 ( -13.378 0.000 0.341) 13.382 8.276 ( 1.182 -0.000 0.112) 1.188 8.281 ( 0.656 0.000 0.192) 0.684 9.109 ( 4.701 -0.000 -0.182) 4.705 9.162 ( 0.725 0.000 0.644) 0.969 9.545 ( 6.338 -0.000 -1.147) 6.441 9.574 ( 4.178 -0.000 -0.127) 4.180 9.624 ( -3.582 -0.000 -1.388) 3.841 9.685 ( -7.247 0.000 -0.242) 7.251 10.335 ( 3.298 0.000 7.887) 8.548 10.407 ( -1.603 0.000 4.911) 5.166 10.541 ( 7.085 -0.000 -9.741) 12.045 10.889 ( -10.256 -0.000 -4.261) 11.106 11.216 ( 4.206 0.000 1.179) 4.368 11.349 ( -3.044 0.000 0.557) 3.095 ======================= Grid point 391 (124/125) ======================= q-point: ( 0.00 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 3.548 0.000 -0.000) 3.548 0.870 ( 1.162 0.000 -0.000) 1.162 1.020 ( -2.148 -0.000 0.000) 2.148 1.267 ( -11.112 -0.000 0.000) 11.112 1.386 ( 4.032 0.000 -0.000) 4.032 1.438 ( -0.013 -0.000 0.000) 0.013 1.456 ( 4.725 0.000 -0.000) 4.725 1.459 ( 5.839 0.000 -0.000) 5.839 1.529 ( 0.139 0.000 -0.000) 0.139 1.619 ( -5.897 -0.000 0.000) 5.897 1.687 ( -2.525 -0.000 0.000) 2.525 1.713 ( -7.052 -0.000 0.000) 7.052 1.717 ( -6.499 -0.000 0.000) 6.499 1.807 ( -7.079 -0.000 0.000) 7.079 2.104 ( 2.074 0.000 -0.000) 2.074 2.262 ( -4.034 -0.000 0.000) 4.034 2.329 ( 5.297 0.000 -0.000) 5.297 2.428 ( 1.387 0.000 -0.000) 1.387 2.720 ( 2.726 0.000 -0.000) 2.726 2.843 ( -3.547 -0.000 0.000) 3.547 3.124 ( 6.920 0.000 -0.000) 6.920 3.141 ( 10.401 0.000 -0.000) 10.401 3.233 ( 1.772 0.000 -0.000) 1.772 3.403 ( -2.206 -0.000 0.000) 2.206 3.785 ( 5.203 0.000 -0.000) 5.203 3.844 ( 2.251 0.000 -0.000) 2.251 3.944 ( 2.092 0.000 -0.000) 2.092 3.976 ( -0.286 -0.000 0.000) 0.286 4.125 ( 6.460 0.000 -0.000) 6.460 4.254 ( -0.622 -0.000 0.000) 0.622 4.766 ( 5.519 0.000 -0.000) 5.519 4.816 ( 2.040 0.000 -0.000) 2.040 4.871 ( 5.065 0.000 -0.000) 5.065 4.976 ( -0.846 -0.000 0.000) 0.846 5.477 ( 1.809 0.000 -0.000) 1.809 5.531 ( -1.132 -0.000 0.000) 1.132 5.862 ( 0.287 0.000 -0.000) 0.287 5.897 ( -1.886 -0.000 0.000) 1.886 7.372 ( -11.669 -0.000 0.000) 11.669 7.415 ( -13.396 -0.000 0.000) 13.396 8.277 ( 1.188 0.000 -0.000) 1.188 8.283 ( 0.638 0.000 -0.000) 0.638 9.108 ( 4.769 0.000 -0.000) 4.769 9.166 ( 0.477 0.000 -0.000) 0.477 9.538 ( 6.387 0.000 -0.000) 6.387 9.574 ( 4.588 0.000 -0.000) 4.588 9.616 ( -4.075 -0.000 0.000) 4.075 9.683 ( -7.393 -0.000 0.000) 7.393 10.407 ( 0.545 0.000 -0.000) 0.545 10.435 ( -1.136 -0.000 0.000) 1.136 10.459 ( 10.190 0.000 -0.000) 10.190 10.864 ( -11.258 -0.000 0.000) 11.258 11.223 ( 4.358 0.000 -0.000) 4.358 11.352 ( -2.877 -0.000 0.000) 2.877 ======================= Grid point 402 (125/125) ======================= q-point: ( 0.89 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 1.154 1.541) 1.925 0.847 ( 0.000 0.225 0.301) 0.375 1.058 ( -0.000 2.113 3.588) 4.163 1.084 ( -0.000 -0.959 -0.910) 1.322 1.383 ( 0.000 8.505 0.629) 8.528 1.406 ( 0.000 6.767 -2.977) 7.393 1.519 ( 0.000 1.683 3.880) 4.229 1.555 ( -0.000 -1.438 0.702) 1.600 1.571 ( 0.000 1.491 0.677) 1.638 1.585 ( -0.000 -3.219 1.302) 3.473 1.593 ( -0.000 -1.988 0.192) 1.997 1.629 ( -0.000 -3.114 -6.708) 7.395 1.718 ( 0.000 -0.511 -3.944) 3.977 1.730 ( -0.000 -2.002 -6.227) 6.541 2.166 ( -0.000 0.778 3.657) 3.738 2.202 ( -0.000 -3.420 -2.677) 4.343 2.407 ( 0.000 0.559 -0.413) 0.695 2.411 ( 0.000 0.126 -1.498) 1.503 2.778 ( -0.000 -0.627 0.615) 0.878 2.782 ( -0.000 -1.082 -0.147) 1.092 3.202 ( 0.000 0.723 1.034) 1.261 3.208 ( -0.000 -0.034 -0.010) 0.036 3.275 ( 0.000 6.062 6.825) 9.128 3.322 ( 0.000 0.864 -1.806) 2.003 3.836 ( 0.000 0.427 3.695) 3.720 3.852 ( 0.000 -0.728 0.450) 0.856 3.947 ( 0.000 0.451 6.664) 6.679 3.978 ( -0.000 -2.705 1.594) 3.140 4.213 ( 0.000 2.742 -3.484) 4.434 4.231 ( -0.000 0.534 -5.972) 5.996 4.823 ( -0.000 1.501 -0.487) 1.578 4.828 ( -0.000 0.852 -1.546) 1.765 4.939 ( -0.000 1.056 0.321) 1.103 4.945 ( -0.000 0.368 -0.649) 0.746 5.500 ( -0.000 0.436 1.321) 1.391 5.517 ( -0.000 -1.537 -1.806) 2.371 5.881 ( -0.000 -2.655 0.917) 2.809 5.888 ( -0.000 -3.400 -0.250) 3.409 7.277 ( -0.000 -0.132 0.410) 0.430 7.280 ( -0.000 -0.547 -0.250) 0.601 8.288 ( -0.000 -0.223 0.415) 0.471 8.292 ( -0.000 -0.656 -0.259) 0.706 9.161 ( -0.000 0.644 0.537) 0.839 9.167 ( -0.000 -0.003 -0.473) 0.473 9.589 ( -0.000 0.382 0.974) 1.046 9.593 ( 0.000 0.272 -0.069) 0.281 9.606 ( -0.000 0.113 -0.770) 0.778 9.613 ( -0.000 -1.083 -1.826) 2.123 10.384 ( -0.000 3.121 6.183) 6.926 10.420 ( -0.000 -0.707 0.682) 0.983 10.652 ( 0.000 0.849 0.007) 0.849 10.699 ( 0.000 -4.248 -7.538) 8.653 11.291 ( -0.000 0.346 0.630) 0.719 11.292 ( -0.000 0.235 0.471) 0.526 =================== 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 3/39366 10.0 35.028 31.567 49.385 0.000 -0.000 -0.000 3/39366 20.0 8.989 7.243 9.656 0.000 -0.000 -0.000 3/39366 30.0 4.976 3.801 5.171 0.000 -0.000 -0.000 3/39366 40.0 3.502 2.602 3.640 0.000 -0.000 -0.000 3/39366 50.0 2.740 2.004 2.848 0.000 -0.000 -0.000 3/39366 60.0 2.278 1.641 2.352 0.000 -0.000 -0.000 3/39366 70.0 1.971 1.395 2.010 0.000 -0.000 -0.000 3/39366 80.0 1.752 1.216 1.758 0.000 -0.000 -0.000 3/39366 90.0 1.587 1.080 1.564 0.000 -0.000 -0.000 3/39366 100.0 1.458 0.972 1.411 0.000 -0.000 -0.000 3/39366 110.0 1.352 0.885 1.287 0.000 -0.000 -0.000 3/39366 120.0 1.263 0.813 1.184 0.000 -0.000 -0.000 3/39366 130.0 1.186 0.752 1.097 0.000 -0.000 -0.000 3/39366 140.0 1.119 0.700 1.023 0.000 -0.000 -0.000 3/39366 150.0 1.059 0.655 0.958 0.000 -0.000 -0.000 3/39366 160.0 1.006 0.616 0.902 0.000 -0.000 -0.000 3/39366 170.0 0.958 0.581 0.852 0.000 -0.000 -0.000 3/39366 180.0 0.914 0.550 0.807 0.000 -0.000 -0.000 3/39366 190.0 0.874 0.522 0.767 0.000 -0.000 -0.000 3/39366 200.0 0.837 0.497 0.731 0.000 -0.000 -0.000 3/39366 210.0 0.803 0.474 0.698 0.000 -0.000 -0.000 3/39366 220.0 0.772 0.453 0.668 0.000 -0.000 -0.000 3/39366 230.0 0.743 0.435 0.640 0.000 -0.000 -0.000 3/39366 240.0 0.716 0.417 0.615 0.000 -0.000 -0.000 3/39366 250.0 0.690 0.401 0.591 0.000 -0.000 -0.000 3/39366 260.0 0.667 0.386 0.570 0.000 -0.000 -0.000 3/39366 270.0 0.645 0.372 0.550 0.000 -0.000 -0.000 3/39366 280.0 0.624 0.359 0.531 0.000 -0.000 -0.000 3/39366 290.0 0.605 0.347 0.513 0.000 -0.000 -0.000 3/39366 300.0 0.586 0.336 0.497 0.000 -0.000 -0.000 3/39366 310.0 0.569 0.326 0.481 0.000 -0.000 -0.000 3/39366 320.0 0.553 0.316 0.467 0.000 -0.000 -0.000 3/39366 330.0 0.537 0.307 0.453 0.000 -0.000 -0.000 3/39366 340.0 0.523 0.298 0.440 0.000 -0.000 -0.000 3/39366 350.0 0.509 0.289 0.428 0.000 -0.000 -0.000 3/39366 360.0 0.496 0.282 0.417 0.000 -0.000 -0.000 3/39366 370.0 0.483 0.274 0.406 0.000 -0.000 -0.000 3/39366 380.0 0.471 0.267 0.395 0.000 -0.000 -0.000 3/39366 390.0 0.460 0.260 0.386 0.000 -0.000 -0.000 3/39366 400.0 0.449 0.254 0.376 0.000 -0.000 -0.000 3/39366 410.0 0.439 0.248 0.367 0.000 -0.000 -0.000 3/39366 420.0 0.429 0.242 0.359 0.000 -0.000 -0.000 3/39366 430.0 0.419 0.237 0.351 0.000 -0.000 -0.000 3/39366 440.0 0.410 0.231 0.343 0.000 -0.000 -0.000 3/39366 450.0 0.402 0.226 0.336 0.000 -0.000 -0.000 3/39366 460.0 0.393 0.222 0.328 0.000 -0.000 -0.000 3/39366 470.0 0.385 0.217 0.322 0.000 -0.000 -0.000 3/39366 480.0 0.378 0.213 0.315 0.000 -0.000 -0.000 3/39366 490.0 0.370 0.208 0.309 0.000 -0.000 -0.000 3/39366 500.0 0.363 0.204 0.303 0.000 -0.000 -0.000 3/39366 510.0 0.356 0.200 0.297 0.000 -0.000 -0.000 3/39366 520.0 0.350 0.196 0.291 0.000 -0.000 -0.000 3/39366 530.0 0.343 0.193 0.286 0.000 -0.000 -0.000 3/39366 540.0 0.337 0.189 0.281 0.000 -0.000 -0.000 3/39366 550.0 0.331 0.186 0.276 0.000 -0.000 -0.000 3/39366 560.0 0.326 0.183 0.271 0.000 -0.000 -0.000 3/39366 570.0 0.320 0.179 0.266 0.000 -0.000 -0.000 3/39366 580.0 0.315 0.176 0.262 0.000 -0.000 -0.000 3/39366 590.0 0.310 0.173 0.257 0.000 -0.000 -0.000 3/39366 600.0 0.305 0.171 0.253 0.000 -0.000 -0.000 3/39366 610.0 0.300 0.168 0.249 0.000 -0.000 -0.000 3/39366 620.0 0.295 0.165 0.245 0.000 -0.000 -0.000 3/39366 630.0 0.291 0.163 0.241 0.000 -0.000 -0.000 3/39366 640.0 0.286 0.160 0.238 0.000 -0.000 -0.000 3/39366 650.0 0.282 0.158 0.234 0.000 -0.000 -0.000 3/39366 660.0 0.278 0.155 0.230 0.000 -0.000 -0.000 3/39366 670.0 0.274 0.153 0.227 0.000 -0.000 -0.000 3/39366 680.0 0.270 0.151 0.224 0.000 -0.000 -0.000 3/39366 690.0 0.266 0.149 0.221 0.000 -0.000 -0.000 3/39366 700.0 0.262 0.147 0.217 0.000 -0.000 -0.000 3/39366 710.0 0.259 0.144 0.214 0.000 -0.000 -0.000 3/39366 720.0 0.255 0.142 0.212 0.000 -0.000 -0.000 3/39366 730.0 0.252 0.141 0.209 0.000 -0.000 -0.000 3/39366 740.0 0.248 0.139 0.206 0.000 -0.000 -0.000 3/39366 750.0 0.245 0.137 0.203 0.000 -0.000 -0.000 3/39366 760.0 0.242 0.135 0.201 0.000 -0.000 -0.000 3/39366 770.0 0.239 0.133 0.198 0.000 -0.000 -0.000 3/39366 780.0 0.236 0.132 0.195 0.000 -0.000 -0.000 3/39366 790.0 0.233 0.130 0.193 0.000 -0.000 -0.000 3/39366 800.0 0.230 0.128 0.191 0.000 -0.000 -0.000 3/39366 810.0 0.227 0.127 0.188 0.000 -0.000 -0.000 3/39366 820.0 0.225 0.125 0.186 0.000 -0.000 -0.000 3/39366 830.0 0.222 0.124 0.184 0.000 -0.000 -0.000 3/39366 840.0 0.219 0.122 0.182 0.000 -0.000 -0.000 3/39366 850.0 0.217 0.121 0.179 0.000 -0.000 -0.000 3/39366 860.0 0.214 0.119 0.177 0.000 -0.000 -0.000 3/39366 870.0 0.212 0.118 0.175 0.000 -0.000 -0.000 3/39366 880.0 0.209 0.117 0.173 0.000 -0.000 -0.000 3/39366 890.0 0.207 0.115 0.172 0.000 -0.000 -0.000 3/39366 900.0 0.205 0.114 0.170 0.000 -0.000 -0.000 3/39366 910.0 0.203 0.113 0.168 0.000 -0.000 -0.000 3/39366 920.0 0.200 0.112 0.166 0.000 -0.000 -0.000 3/39366 930.0 0.198 0.111 0.164 0.000 -0.000 -0.000 3/39366 940.0 0.196 0.109 0.162 0.000 -0.000 -0.000 3/39366 950.0 0.194 0.108 0.161 0.000 -0.000 -0.000 3/39366 960.0 0.192 0.107 0.159 0.000 -0.000 -0.000 3/39366 970.0 0.190 0.106 0.157 0.000 -0.000 -0.000 3/39366 980.0 0.188 0.105 0.156 0.000 -0.000 -0.000 3/39366 990.0 0.187 0.104 0.154 0.000 -0.000 -0.000 3/39366 1000.0 0.185 0.103 0.153 0.000 -0.000 -0.000 3/39366 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:16:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|