----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:47:49]------------------------- 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 7.221580495000000 12.472810124999999 b 3.010782265000000 0.000000000000000 12.472810124999999 c 3.010782265000000 7.221580495000000 0.000000000000000 Atomic positions (fractional): *1 Se 0.23331603894947 0.88022393557156 0.56855067575574 78.960 2 Se 0.31790934972323 0.56855067575574 0.88022393557156 78.960 3 Se 0.56855067575574 0.31790934972323 0.23331603894947 78.960 4 Se 0.88022393557156 0.23331603894947 0.31790934972323 78.960 5 Se 0.36977606442844 0.01668396105053 0.93209065027677 78.960 6 Se 0.93209065027677 0.68144932424426 0.36977606442844 78.960 7 Se 0.68144932424426 0.93209065027677 0.01668396105053 78.960 8 Se 0.01668396105053 0.36977606442844 0.68144932424426 78.960 *9 Nb 0.75000000000000 0.75000000000000 0.75000000000000 92.906 10 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 *11 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 12 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 *13 Cs 0.56931449453459 0.56931449453459 0.93068550546541 132.905 14 Cs 0.93068550546541 0.93068550546541 0.56931449453459 132.905 15 Cs 0.31931449453459 0.31931449453459 0.68068550546541 132.905 16 Cs 0.68068550546541 0.68068550546541 0.31931449453459 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.021564530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.443160990000001 0.000000000000000 c 0.000000000000000 0.000000000000000 24.945620249999997 Atomic positions (fractional): *1 Se 0.22438730566365 0.90093335735260 0.55676998726051 78.960 > 1 2 Se 0.22438730566365 0.59906664264740 0.94323001273949 78.960 > 2 3 Se 0.27561269433635 0.90093335735260 0.94323001273949 78.960 > 3 4 Se 0.27561269433635 0.59906664264740 0.55676998726051 78.960 > 4 5 Se 0.97438730566365 0.65093335735260 0.69323001273949 78.960 > 5 6 Se 0.52561269433635 0.65093335735260 0.80676998726051 78.960 > 6 7 Se 0.97438730566365 0.84906664264740 0.80676998726051 78.960 > 7 8 Se 0.52561269433635 0.84906664264740 0.69323001273949 78.960 > 8 9 Se 0.22438730566365 0.40093335735260 0.05676998726051 78.960 > 1 10 Se 0.22438730566365 0.09906664264740 0.44323001273948 78.960 > 2 11 Se 0.27561269433635 0.40093335735260 0.44323001273948 78.960 > 3 12 Se 0.27561269433635 0.09906664264740 0.05676998726051 78.960 > 4 13 Se 0.97438730566365 0.15093335735260 0.19323001273949 78.960 > 5 14 Se 0.52561269433635 0.15093335735260 0.30676998726052 78.960 > 6 15 Se 0.97438730566365 0.34906664264740 0.30676998726052 78.960 > 7 16 Se 0.52561269433635 0.34906664264740 0.19323001273949 78.960 > 8 17 Se 0.72438730566365 0.90093335735260 0.05676998726051 78.960 > 1 18 Se 0.72438730566365 0.59906664264740 0.44323001273948 78.960 > 2 19 Se 0.77561269433635 0.90093335735260 0.44323001273948 78.960 > 3 20 Se 0.77561269433635 0.59906664264740 0.05676998726051 78.960 > 4 21 Se 0.47438730566365 0.65093335735260 0.19323001273949 78.960 > 5 22 Se 0.02561269433635 0.65093335735260 0.30676998726052 78.960 > 6 23 Se 0.47438730566365 0.84906664264740 0.30676998726052 78.960 > 7 24 Se 0.02561269433635 0.84906664264740 0.19323001273949 78.960 > 8 25 Se 0.72438730566365 0.40093335735260 0.55676998726051 78.960 > 1 26 Se 0.72438730566365 0.09906664264740 0.94323001273949 78.960 > 2 27 Se 0.77561269433635 0.40093335735260 0.94323001273949 78.960 > 3 28 Se 0.77561269433635 0.09906664264740 0.55676998726051 78.960 > 4 29 Se 0.47438730566365 0.15093335735260 0.69323001273949 78.960 > 5 30 Se 0.02561269433635 0.15093335735260 0.80676998726051 78.960 > 6 31 Se 0.47438730566365 0.34906664264740 0.80676998726051 78.960 > 7 32 Se 0.02561269433635 0.34906664264740 0.69323001273949 78.960 > 8 *33 Nb 0.75000000000000 0.75000000000000 0.75000000000000 92.906 > 9 34 Nb 0.50000000000000 0.00000000000000 0.00000000000000 92.906 > 10 35 Nb 0.75000000000000 0.25000000000000 0.25000000000000 92.906 > 9 36 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 10 37 Nb 0.25000000000000 0.75000000000000 0.25000000000000 92.906 > 9 38 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 10 39 Nb 0.25000000000000 0.25000000000000 0.75000000000000 92.906 > 9 40 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 > 10 *41 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 11 42 Ag 0.25000000000000 0.75000000000000 0.75000000000000 107.868 > 12 43 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 11 44 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 > 12 45 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 11 46 Ag 0.75000000000000 0.75000000000000 0.25000000000000 107.868 > 12 47 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 11 48 Ag 0.75000000000000 0.25000000000000 0.75000000000000 107.868 > 12 *49 Cs 0.75000000000000 0.75000000000000 0.56931449453459 132.905 > 13 50 Cs 0.75000000000000 0.75000000000000 0.93068550546541 132.905 > 14 51 Cs 0.50000000000000 0.00000000000000 0.81931449453459 132.905 > 15 52 Cs 0.00000000000000 0.00000000000000 0.68068550546541 132.905 > 16 53 Cs 0.75000000000000 0.25000000000000 0.06931449453459 132.905 > 13 54 Cs 0.75000000000000 0.25000000000000 0.43068550546541 132.905 > 14 55 Cs 0.50000000000000 0.50000000000000 0.31931449453459 132.905 > 15 56 Cs 0.00000000000000 0.50000000000000 0.18068550546541 132.905 > 16 57 Cs 0.25000000000000 0.75000000000000 0.06931449453459 132.905 > 13 58 Cs 0.25000000000000 0.75000000000000 0.43068550546541 132.905 > 14 59 Cs 0.00000000000000 0.00000000000000 0.31931449453459 132.905 > 15 60 Cs 0.50000000000000 0.00000000000000 0.18068550546541 132.905 > 16 61 Cs 0.25000000000000 0.25000000000000 0.56931449453459 132.905 > 13 62 Cs 0.25000000000000 0.25000000000000 0.93068550546541 132.905 > 14 63 Cs 0.00000000000000 0.50000000000000 0.81931449453459 132.905 > 15 64 Cs 0.50000000000000 0.50000000000000 0.68068550546541 132.905 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.043129060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.443160990000001 0.000000000000000 c 0.000000000000000 0.000000000000000 24.945620249999997 Atomic positions (fractional): *1 Se 0.11219365283182 0.90093335735260 0.55676998726051 78.960 > 1 2 Se 0.61219365283182 0.90093335735260 0.55676998726051 78.960 > 1 3 Se 0.11219365283182 0.59906664264740 0.94323001273949 78.960 > 2 4 Se 0.61219365283182 0.59906664264740 0.94323001273949 78.960 > 2 5 Se 0.13780634716818 0.90093335735260 0.94323001273949 78.960 > 3 6 Se 0.63780634716818 0.90093335735260 0.94323001273949 78.960 > 3 7 Se 0.13780634716818 0.59906664264740 0.55676998726051 78.960 > 4 8 Se 0.63780634716818 0.59906664264740 0.55676998726051 78.960 > 4 9 Se 0.48719365283182 0.65093335735260 0.69323001273949 78.960 > 5 10 Se 0.98719365283182 0.65093335735260 0.69323001273949 78.960 > 5 11 Se 0.26280634716818 0.65093335735260 0.80676998726051 78.960 > 6 12 Se 0.76280634716818 0.65093335735260 0.80676998726051 78.960 > 6 13 Se 0.48719365283182 0.84906664264740 0.80676998726051 78.960 > 7 14 Se 0.98719365283182 0.84906664264740 0.80676998726051 78.960 > 7 15 Se 0.26280634716818 0.84906664264740 0.69323001273949 78.960 > 8 16 Se 0.76280634716818 0.84906664264740 0.69323001273949 78.960 > 8 17 Se 0.11219365283182 0.40093335735260 0.05676998726051 78.960 > 1 18 Se 0.61219365283182 0.40093335735260 0.05676998726051 78.960 > 1 19 Se 0.11219365283182 0.09906664264740 0.44323001273948 78.960 > 2 20 Se 0.61219365283182 0.09906664264740 0.44323001273948 78.960 > 2 21 Se 0.13780634716818 0.40093335735260 0.44323001273948 78.960 > 3 22 Se 0.63780634716818 0.40093335735260 0.44323001273948 78.960 > 3 23 Se 0.13780634716818 0.09906664264740 0.05676998726051 78.960 > 4 24 Se 0.63780634716818 0.09906664264740 0.05676998726051 78.960 > 4 25 Se 0.48719365283182 0.15093335735260 0.19323001273949 78.960 > 5 26 Se 0.98719365283182 0.15093335735260 0.19323001273949 78.960 > 5 27 Se 0.26280634716818 0.15093335735260 0.30676998726052 78.960 > 6 28 Se 0.76280634716818 0.15093335735260 0.30676998726052 78.960 > 6 29 Se 0.48719365283182 0.34906664264740 0.30676998726052 78.960 > 7 30 Se 0.98719365283182 0.34906664264740 0.30676998726052 78.960 > 7 31 Se 0.26280634716818 0.34906664264740 0.19323001273949 78.960 > 8 32 Se 0.76280634716818 0.34906664264740 0.19323001273949 78.960 > 8 33 Se 0.36219365283182 0.90093335735260 0.05676998726051 78.960 > 1 34 Se 0.86219365283182 0.90093335735260 0.05676998726051 78.960 > 1 35 Se 0.36219365283182 0.59906664264740 0.44323001273948 78.960 > 2 36 Se 0.86219365283182 0.59906664264740 0.44323001273948 78.960 > 2 37 Se 0.38780634716818 0.90093335735260 0.44323001273948 78.960 > 3 38 Se 0.88780634716818 0.90093335735260 0.44323001273948 78.960 > 3 39 Se 0.38780634716818 0.59906664264740 0.05676998726051 78.960 > 4 40 Se 0.88780634716818 0.59906664264740 0.05676998726051 78.960 > 4 41 Se 0.23719365283182 0.65093335735260 0.19323001273949 78.960 > 5 42 Se 0.73719365283182 0.65093335735260 0.19323001273949 78.960 > 5 43 Se 0.01280634716818 0.65093335735260 0.30676998726052 78.960 > 6 44 Se 0.51280634716818 0.65093335735260 0.30676998726052 78.960 > 6 45 Se 0.23719365283182 0.84906664264740 0.30676998726052 78.960 > 7 46 Se 0.73719365283182 0.84906664264740 0.30676998726052 78.960 > 7 47 Se 0.01280634716818 0.84906664264740 0.19323001273949 78.960 > 8 48 Se 0.51280634716818 0.84906664264740 0.19323001273949 78.960 > 8 49 Se 0.36219365283182 0.40093335735260 0.55676998726051 78.960 > 1 50 Se 0.86219365283182 0.40093335735260 0.55676998726051 78.960 > 1 51 Se 0.36219365283182 0.09906664264740 0.94323001273949 78.960 > 2 52 Se 0.86219365283182 0.09906664264740 0.94323001273949 78.960 > 2 53 Se 0.38780634716818 0.40093335735260 0.94323001273949 78.960 > 3 54 Se 0.88780634716818 0.40093335735260 0.94323001273949 78.960 > 3 55 Se 0.38780634716818 0.09906664264740 0.55676998726051 78.960 > 4 56 Se 0.88780634716818 0.09906664264740 0.55676998726051 78.960 > 4 57 Se 0.23719365283182 0.15093335735260 0.69323001273949 78.960 > 5 58 Se 0.73719365283182 0.15093335735260 0.69323001273949 78.960 > 5 59 Se 0.01280634716818 0.15093335735260 0.80676998726051 78.960 > 6 60 Se 0.51280634716818 0.15093335735260 0.80676998726051 78.960 > 6 61 Se 0.23719365283182 0.34906664264740 0.80676998726051 78.960 > 7 62 Se 0.73719365283182 0.34906664264740 0.80676998726051 78.960 > 7 63 Se 0.01280634716818 0.34906664264740 0.69323001273949 78.960 > 8 64 Se 0.51280634716818 0.34906664264740 0.69323001273949 78.960 > 8 *65 Nb 0.37500000000000 0.75000000000000 0.75000000000000 92.906 > 9 66 Nb 0.87500000000000 0.75000000000000 0.75000000000000 92.906 > 9 67 Nb 0.25000000000000 0.00000000000000 0.00000000000000 92.906 > 10 68 Nb 0.75000000000000 0.00000000000000 0.00000000000000 92.906 > 10 69 Nb 0.37500000000000 0.25000000000000 0.25000000000000 92.906 > 9 70 Nb 0.87500000000000 0.25000000000000 0.25000000000000 92.906 > 9 71 Nb 0.25000000000000 0.50000000000000 0.50000000000000 92.906 > 10 72 Nb 0.75000000000000 0.50000000000000 0.50000000000000 92.906 > 10 73 Nb 0.12500000000000 0.75000000000000 0.25000000000000 92.906 > 9 74 Nb 0.62500000000000 0.75000000000000 0.25000000000000 92.906 > 9 75 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 10 76 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 10 77 Nb 0.12500000000000 0.25000000000000 0.75000000000000 92.906 > 9 78 Nb 0.62500000000000 0.25000000000000 0.75000000000000 92.906 > 9 79 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 > 10 80 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 > 10 *81 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 11 82 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 11 83 Ag 0.12500000000000 0.75000000000000 0.75000000000000 107.868 > 12 84 Ag 0.62500000000000 0.75000000000000 0.75000000000000 107.868 > 12 85 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 11 86 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 11 87 Ag 0.12500000000000 0.25000000000000 0.25000000000000 107.868 > 12 88 Ag 0.62500000000000 0.25000000000000 0.25000000000000 107.868 > 12 89 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 11 90 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 11 91 Ag 0.37500000000000 0.75000000000000 0.25000000000000 107.868 > 12 92 Ag 0.87500000000000 0.75000000000000 0.25000000000000 107.868 > 12 93 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 11 94 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 11 95 Ag 0.37500000000000 0.25000000000000 0.75000000000000 107.868 > 12 96 Ag 0.87500000000000 0.25000000000000 0.75000000000000 107.868 > 12 *97 Cs 0.37500000000000 0.75000000000000 0.56931449453459 132.905 > 13 98 Cs 0.87500000000000 0.75000000000000 0.56931449453459 132.905 > 13 99 Cs 0.37500000000000 0.75000000000000 0.93068550546541 132.905 > 14 100 Cs 0.87500000000000 0.75000000000000 0.93068550546541 132.905 > 14 101 Cs 0.25000000000000 0.00000000000000 0.81931449453459 132.905 > 15 102 Cs 0.75000000000000 0.00000000000000 0.81931449453459 132.905 > 15 103 Cs 0.00000000000000 0.00000000000000 0.68068550546541 132.905 > 16 104 Cs 0.50000000000000 0.00000000000000 0.68068550546541 132.905 > 16 105 Cs 0.37500000000000 0.25000000000000 0.06931449453459 132.905 > 13 106 Cs 0.87500000000000 0.25000000000000 0.06931449453459 132.905 > 13 107 Cs 0.37500000000000 0.25000000000000 0.43068550546541 132.905 > 14 108 Cs 0.87500000000000 0.25000000000000 0.43068550546541 132.905 > 14 109 Cs 0.25000000000000 0.50000000000000 0.31931449453459 132.905 > 15 110 Cs 0.75000000000000 0.50000000000000 0.31931449453459 132.905 > 15 111 Cs 0.00000000000000 0.50000000000000 0.18068550546541 132.905 > 16 112 Cs 0.50000000000000 0.50000000000000 0.18068550546541 132.905 > 16 113 Cs 0.12500000000000 0.75000000000000 0.06931449453459 132.905 > 13 114 Cs 0.62500000000000 0.75000000000000 0.06931449453459 132.905 > 13 115 Cs 0.12500000000000 0.75000000000000 0.43068550546541 132.905 > 14 116 Cs 0.62500000000000 0.75000000000000 0.43068550546541 132.905 > 14 117 Cs 0.00000000000000 0.00000000000000 0.31931449453459 132.905 > 15 118 Cs 0.50000000000000 0.00000000000000 0.31931449453459 132.905 > 15 119 Cs 0.25000000000000 0.00000000000000 0.18068550546541 132.905 > 16 120 Cs 0.75000000000000 0.00000000000000 0.18068550546541 132.905 > 16 121 Cs 0.12500000000000 0.25000000000000 0.56931449453459 132.905 > 13 122 Cs 0.62500000000000 0.25000000000000 0.56931449453459 132.905 > 13 123 Cs 0.12500000000000 0.25000000000000 0.93068550546541 132.905 > 14 124 Cs 0.62500000000000 0.25000000000000 0.93068550546541 132.905 > 14 125 Cs 0.00000000000000 0.50000000000000 0.81931449453459 132.905 > 15 126 Cs 0.50000000000000 0.50000000000000 0.81931449453459 132.905 > 15 127 Cs 0.25000000000000 0.50000000000000 0.68068550546541 132.905 > 16 128 Cs 0.75000000000000 0.50000000000000 0.68068550546541 132.905 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6769136 0.0000000 0.0000000 0.0000000 4.5588484 0.0000000 0.0000000 0.0000000 4.2745375 -------------------------- Born effective charges -------------------------- 1 Se -1.4199903 0.8854623 -0.7365237 0.3806499 -1.2384465 0.7041135 -0.2273744 0.5855014 -1.0491493 2 Se -1.4199903 -0.8854623 0.7365237 -0.3806499 -1.2384465 0.7041135 0.2273744 0.5855014 -1.0491493 3 Se -1.4199903 -0.8854623 -0.7365237 -0.3806499 -1.2384465 -0.7041135 -0.2273744 -0.5855014 -1.0491493 4 Se -1.4199903 0.8854623 0.7365237 0.3806499 -1.2384465 -0.7041135 0.2273744 -0.5855014 -1.0491493 5 Se -1.4199903 0.8854623 0.7365237 0.3806499 -1.2384465 -0.7041135 0.2273744 -0.5855014 -1.0491493 6 Se -1.4199903 -0.8854623 0.7365237 -0.3806499 -1.2384465 0.7041135 0.2273744 0.5855014 -1.0491493 7 Se -1.4199903 -0.8854623 -0.7365237 -0.3806499 -1.2384465 -0.7041135 -0.2273744 -0.5855014 -1.0491493 8 Se -1.4199903 0.8854623 -0.7365237 0.3806499 -1.2384465 0.7041135 -0.2273744 0.5855014 -1.0491493 9 Nb 3.0066572 0.0000000 0.0000000 0.0000000 1.6261804 0.0000000 0.0000000 0.0000000 1.0306841 10 Nb 3.0066572 0.0000000 0.0000000 0.0000000 1.6261804 0.0000000 0.0000000 0.0000000 1.0306841 11 Ag 0.2304409 0.0000000 0.0000000 0.0000000 0.3846424 0.0000000 0.0000000 0.0000000 0.3884234 12 Ag 0.2304409 0.0000000 0.0000000 0.0000000 0.3846424 0.0000000 0.0000000 0.0000000 0.3884234 13 Cs 1.2214316 -0.0106555 0.0000000 0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 14 Cs 1.2214316 0.0106555 0.0000000 -0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 15 Cs 1.2214316 0.0106555 0.0000000 -0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 16 Cs 1.2214316 -0.0106555 0.0000000 0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.770 Solver_block: 200 / 240 - Time: 1.748 Solver_block: 240 / 240 - Time: 0.757 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.306 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:48:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:48:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 7.221580495000000 12.472810124999999 b 3.010782265000000 0.000000000000000 12.472810124999999 c 3.010782265000000 7.221580495000000 0.000000000000000 Atomic positions (fractional): 1 Se 0.23331603894947 0.88022393557156 0.56855067575574 78.960 2 Se 0.31790934972323 0.56855067575574 0.88022393557156 78.960 3 Se 0.56855067575574 0.31790934972323 0.23331603894947 78.960 4 Se 0.88022393557156 0.23331603894947 0.31790934972323 78.960 5 Se 0.36977606442844 0.01668396105053 0.93209065027677 78.960 6 Se 0.93209065027677 0.68144932424426 0.36977606442844 78.960 7 Se 0.68144932424426 0.93209065027677 0.01668396105053 78.960 8 Se 0.01668396105053 0.36977606442844 0.68144932424426 78.960 9 Nb 0.75000000000000 0.75000000000000 0.75000000000000 92.906 10 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 11 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 12 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 13 Cs 0.56931449453459 0.56931449453459 0.93068550546541 132.905 14 Cs 0.93068550546541 0.93068550546541 0.56931449453459 132.905 15 Cs 0.31931449453459 0.31931449453459 0.68068550546541 132.905 16 Cs 0.68068550546541 0.68068550546541 0.31931449453459 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.043129060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.443160990000001 0.000000000000000 c 0.000000000000000 0.000000000000000 24.945620249999997 Atomic positions (fractional): 1 Se 0.11219365283182 0.90093335735260 0.55676998726051 78.960 > 1 2 Se 0.61219365283182 0.90093335735260 0.55676998726051 78.960 > 1 3 Se 0.11219365283182 0.59906664264740 0.94323001273949 78.960 > 3 4 Se 0.61219365283182 0.59906664264740 0.94323001273949 78.960 > 3 5 Se 0.13780634716818 0.90093335735260 0.94323001273949 78.960 > 5 6 Se 0.63780634716818 0.90093335735260 0.94323001273949 78.960 > 5 7 Se 0.13780634716818 0.59906664264740 0.55676998726051 78.960 > 7 8 Se 0.63780634716818 0.59906664264740 0.55676998726051 78.960 > 7 9 Se 0.48719365283182 0.65093335735260 0.69323001273949 78.960 > 9 10 Se 0.98719365283182 0.65093335735260 0.69323001273949 78.960 > 9 11 Se 0.26280634716818 0.65093335735260 0.80676998726051 78.960 > 11 12 Se 0.76280634716818 0.65093335735260 0.80676998726051 78.960 > 11 13 Se 0.48719365283182 0.84906664264740 0.80676998726051 78.960 > 13 14 Se 0.98719365283182 0.84906664264740 0.80676998726051 78.960 > 13 15 Se 0.26280634716818 0.84906664264740 0.69323001273949 78.960 > 15 16 Se 0.76280634716818 0.84906664264740 0.69323001273949 78.960 > 15 17 Se 0.11219365283182 0.40093335735260 0.05676998726051 78.960 > 1 18 Se 0.61219365283182 0.40093335735260 0.05676998726051 78.960 > 1 19 Se 0.11219365283182 0.09906664264740 0.44323001273948 78.960 > 3 20 Se 0.61219365283182 0.09906664264740 0.44323001273948 78.960 > 3 21 Se 0.13780634716818 0.40093335735260 0.44323001273948 78.960 > 5 22 Se 0.63780634716818 0.40093335735260 0.44323001273948 78.960 > 5 23 Se 0.13780634716818 0.09906664264740 0.05676998726051 78.960 > 7 24 Se 0.63780634716818 0.09906664264740 0.05676998726051 78.960 > 7 25 Se 0.48719365283182 0.15093335735260 0.19323001273949 78.960 > 9 26 Se 0.98719365283182 0.15093335735260 0.19323001273949 78.960 > 9 27 Se 0.26280634716818 0.15093335735260 0.30676998726052 78.960 > 11 28 Se 0.76280634716818 0.15093335735260 0.30676998726052 78.960 > 11 29 Se 0.48719365283182 0.34906664264740 0.30676998726052 78.960 > 13 30 Se 0.98719365283182 0.34906664264740 0.30676998726052 78.960 > 13 31 Se 0.26280634716818 0.34906664264740 0.19323001273949 78.960 > 15 32 Se 0.76280634716818 0.34906664264740 0.19323001273949 78.960 > 15 33 Se 0.36219365283182 0.90093335735260 0.05676998726051 78.960 > 1 34 Se 0.86219365283182 0.90093335735260 0.05676998726051 78.960 > 1 35 Se 0.36219365283182 0.59906664264740 0.44323001273948 78.960 > 3 36 Se 0.86219365283182 0.59906664264740 0.44323001273948 78.960 > 3 37 Se 0.38780634716818 0.90093335735260 0.44323001273948 78.960 > 5 38 Se 0.88780634716818 0.90093335735260 0.44323001273948 78.960 > 5 39 Se 0.38780634716818 0.59906664264740 0.05676998726051 78.960 > 7 40 Se 0.88780634716818 0.59906664264740 0.05676998726051 78.960 > 7 41 Se 0.23719365283182 0.65093335735260 0.19323001273949 78.960 > 9 42 Se 0.73719365283182 0.65093335735260 0.19323001273949 78.960 > 9 43 Se 0.01280634716818 0.65093335735260 0.30676998726052 78.960 > 11 44 Se 0.51280634716818 0.65093335735260 0.30676998726052 78.960 > 11 45 Se 0.23719365283182 0.84906664264740 0.30676998726052 78.960 > 13 46 Se 0.73719365283182 0.84906664264740 0.30676998726052 78.960 > 13 47 Se 0.01280634716818 0.84906664264740 0.19323001273949 78.960 > 15 48 Se 0.51280634716818 0.84906664264740 0.19323001273949 78.960 > 15 49 Se 0.36219365283182 0.40093335735260 0.55676998726051 78.960 > 1 50 Se 0.86219365283182 0.40093335735260 0.55676998726051 78.960 > 1 51 Se 0.36219365283182 0.09906664264740 0.94323001273949 78.960 > 3 52 Se 0.86219365283182 0.09906664264740 0.94323001273949 78.960 > 3 53 Se 0.38780634716818 0.40093335735260 0.94323001273949 78.960 > 5 54 Se 0.88780634716818 0.40093335735260 0.94323001273949 78.960 > 5 55 Se 0.38780634716818 0.09906664264740 0.55676998726051 78.960 > 7 56 Se 0.88780634716818 0.09906664264740 0.55676998726051 78.960 > 7 57 Se 0.23719365283182 0.15093335735260 0.69323001273949 78.960 > 9 58 Se 0.73719365283182 0.15093335735260 0.69323001273949 78.960 > 9 59 Se 0.01280634716818 0.15093335735260 0.80676998726051 78.960 > 11 60 Se 0.51280634716818 0.15093335735260 0.80676998726051 78.960 > 11 61 Se 0.23719365283182 0.34906664264740 0.80676998726051 78.960 > 13 62 Se 0.73719365283182 0.34906664264740 0.80676998726051 78.960 > 13 63 Se 0.01280634716818 0.34906664264740 0.69323001273949 78.960 > 15 64 Se 0.51280634716818 0.34906664264740 0.69323001273949 78.960 > 15 65 Nb 0.37500000000000 0.75000000000000 0.75000000000000 92.906 > 65 66 Nb 0.87500000000000 0.75000000000000 0.75000000000000 92.906 > 65 67 Nb 0.25000000000000 0.00000000000000 0.00000000000000 92.906 > 67 68 Nb 0.75000000000000 0.00000000000000 0.00000000000000 92.906 > 67 69 Nb 0.37500000000000 0.25000000000000 0.25000000000000 92.906 > 65 70 Nb 0.87500000000000 0.25000000000000 0.25000000000000 92.906 > 65 71 Nb 0.25000000000000 0.50000000000000 0.50000000000000 92.906 > 67 72 Nb 0.75000000000000 0.50000000000000 0.50000000000000 92.906 > 67 73 Nb 0.12500000000000 0.75000000000000 0.25000000000000 92.906 > 65 74 Nb 0.62500000000000 0.75000000000000 0.25000000000000 92.906 > 65 75 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 67 76 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 67 77 Nb 0.12500000000000 0.25000000000000 0.75000000000000 92.906 > 65 78 Nb 0.62500000000000 0.25000000000000 0.75000000000000 92.906 > 65 79 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 > 67 80 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 > 67 81 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 81 82 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 81 83 Ag 0.12500000000000 0.75000000000000 0.75000000000000 107.868 > 83 84 Ag 0.62500000000000 0.75000000000000 0.75000000000000 107.868 > 83 85 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 81 86 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 81 87 Ag 0.12500000000000 0.25000000000000 0.25000000000000 107.868 > 83 88 Ag 0.62500000000000 0.25000000000000 0.25000000000000 107.868 > 83 89 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 81 90 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 81 91 Ag 0.37500000000000 0.75000000000000 0.25000000000000 107.868 > 83 92 Ag 0.87500000000000 0.75000000000000 0.25000000000000 107.868 > 83 93 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 81 94 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 81 95 Ag 0.37500000000000 0.25000000000000 0.75000000000000 107.868 > 83 96 Ag 0.87500000000000 0.25000000000000 0.75000000000000 107.868 > 83 97 Cs 0.37500000000000 0.75000000000000 0.56931449453459 132.905 > 97 98 Cs 0.87500000000000 0.75000000000000 0.56931449453459 132.905 > 97 99 Cs 0.37500000000000 0.75000000000000 0.93068550546541 132.905 > 99 100 Cs 0.87500000000000 0.75000000000000 0.93068550546541 132.905 > 99 101 Cs 0.25000000000000 0.00000000000000 0.81931449453459 132.905 > 101 102 Cs 0.75000000000000 0.00000000000000 0.81931449453459 132.905 > 101 103 Cs 0.00000000000000 0.00000000000000 0.68068550546541 132.905 > 103 104 Cs 0.50000000000000 0.00000000000000 0.68068550546541 132.905 > 103 105 Cs 0.37500000000000 0.25000000000000 0.06931449453459 132.905 > 97 106 Cs 0.87500000000000 0.25000000000000 0.06931449453459 132.905 > 97 107 Cs 0.37500000000000 0.25000000000000 0.43068550546541 132.905 > 99 108 Cs 0.87500000000000 0.25000000000000 0.43068550546541 132.905 > 99 109 Cs 0.25000000000000 0.50000000000000 0.31931449453459 132.905 > 101 110 Cs 0.75000000000000 0.50000000000000 0.31931449453459 132.905 > 101 111 Cs 0.00000000000000 0.50000000000000 0.18068550546541 132.905 > 103 112 Cs 0.50000000000000 0.50000000000000 0.18068550546541 132.905 > 103 113 Cs 0.12500000000000 0.75000000000000 0.06931449453459 132.905 > 97 114 Cs 0.62500000000000 0.75000000000000 0.06931449453459 132.905 > 97 115 Cs 0.12500000000000 0.75000000000000 0.43068550546541 132.905 > 99 116 Cs 0.62500000000000 0.75000000000000 0.43068550546541 132.905 > 99 117 Cs 0.00000000000000 0.00000000000000 0.31931449453459 132.905 > 101 118 Cs 0.50000000000000 0.00000000000000 0.31931449453459 132.905 > 101 119 Cs 0.25000000000000 0.00000000000000 0.18068550546541 132.905 > 103 120 Cs 0.75000000000000 0.00000000000000 0.18068550546541 132.905 > 103 121 Cs 0.12500000000000 0.25000000000000 0.56931449453459 132.905 > 97 122 Cs 0.62500000000000 0.25000000000000 0.56931449453459 132.905 > 97 123 Cs 0.12500000000000 0.25000000000000 0.93068550546541 132.905 > 99 124 Cs 0.62500000000000 0.25000000000000 0.93068550546541 132.905 > 99 125 Cs 0.00000000000000 0.50000000000000 0.81931449453459 132.905 > 101 126 Cs 0.50000000000000 0.50000000000000 0.81931449453459 132.905 > 101 127 Cs 0.25000000000000 0.50000000000000 0.68068550546541 132.905 > 103 128 Cs 0.75000000000000 0.50000000000000 0.68068550546541 132.905 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6769136 0.0000000 0.0000000 0.0000000 4.5588484 0.0000000 0.0000000 0.0000000 4.2745375 -------------------------- Born effective charges -------------------------- 1 Se -1.4199903 0.8854623 -0.7365237 0.3806499 -1.2384465 0.7041135 -0.2273744 0.5855014 -1.0491493 2 Se -1.4199903 -0.8854623 0.7365237 -0.3806499 -1.2384465 0.7041135 0.2273744 0.5855014 -1.0491493 3 Se -1.4199903 -0.8854623 -0.7365237 -0.3806499 -1.2384465 -0.7041135 -0.2273744 -0.5855014 -1.0491493 4 Se -1.4199903 0.8854623 0.7365237 0.3806499 -1.2384465 -0.7041135 0.2273744 -0.5855014 -1.0491493 5 Se -1.4199903 0.8854623 0.7365237 0.3806499 -1.2384465 -0.7041135 0.2273744 -0.5855014 -1.0491493 6 Se -1.4199903 -0.8854623 0.7365237 -0.3806499 -1.2384465 0.7041135 0.2273744 0.5855014 -1.0491493 7 Se -1.4199903 -0.8854623 -0.7365237 -0.3806499 -1.2384465 -0.7041135 -0.2273744 -0.5855014 -1.0491493 8 Se -1.4199903 0.8854623 -0.7365237 0.3806499 -1.2384465 0.7041135 -0.2273744 0.5855014 -1.0491493 9 Nb 3.0066572 0.0000000 0.0000000 0.0000000 1.6261804 0.0000000 0.0000000 0.0000000 1.0306841 10 Nb 3.0066572 0.0000000 0.0000000 0.0000000 1.6261804 0.0000000 0.0000000 0.0000000 1.0306841 11 Ag 0.2304409 0.0000000 0.0000000 0.0000000 0.3846424 0.0000000 0.0000000 0.0000000 0.3884234 12 Ag 0.2304409 0.0000000 0.0000000 0.0000000 0.3846424 0.0000000 0.0000000 0.0000000 0.3884234 13 Cs 1.2214316 -0.0106555 0.0000000 0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 14 Cs 1.2214316 0.0106555 0.0000000 -0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 15 Cs 1.2214316 0.0106555 0.0000000 -0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 16 Cs 1.2214316 -0.0106555 0.0000000 0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 ---------------------------------------------------------------------------- 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[ 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] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xyz) 0.00000004 (xyz) 0.00000004 (xzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) 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 00:48:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:48:23]------------------------- 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 7.221580495000000 12.472810124999999 b 3.010782265000000 0.000000000000000 12.472810124999999 c 3.010782265000000 7.221580495000000 0.000000000000000 Atomic positions (fractional): 1 Se 0.23331603894947 0.88022393557156 0.56855067575574 78.960 2 Se 0.31790934972323 0.56855067575574 0.88022393557156 78.960 3 Se 0.56855067575574 0.31790934972323 0.23331603894947 78.960 4 Se 0.88022393557156 0.23331603894947 0.31790934972323 78.960 5 Se 0.36977606442844 0.01668396105053 0.93209065027677 78.960 6 Se 0.93209065027677 0.68144932424426 0.36977606442844 78.960 7 Se 0.68144932424426 0.93209065027677 0.01668396105053 78.960 8 Se 0.01668396105053 0.36977606442844 0.68144932424426 78.960 9 Nb 0.75000000000000 0.75000000000000 0.75000000000000 92.906 10 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 11 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 12 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 13 Cs 0.56931449453459 0.56931449453459 0.93068550546541 132.905 14 Cs 0.93068550546541 0.93068550546541 0.56931449453459 132.905 15 Cs 0.31931449453459 0.31931449453459 0.68068550546541 132.905 16 Cs 0.68068550546541 0.68068550546541 0.31931449453459 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.043129060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.443160990000001 0.000000000000000 c 0.000000000000000 0.000000000000000 24.945620249999997 Atomic positions (fractional): 1 Se 0.11219365283182 0.90093335735260 0.55676998726051 78.960 > 1 2 Se 0.61219365283182 0.90093335735260 0.55676998726051 78.960 > 1 3 Se 0.11219365283182 0.59906664264740 0.94323001273949 78.960 > 3 4 Se 0.61219365283182 0.59906664264740 0.94323001273949 78.960 > 3 5 Se 0.13780634716818 0.90093335735260 0.94323001273949 78.960 > 5 6 Se 0.63780634716818 0.90093335735260 0.94323001273949 78.960 > 5 7 Se 0.13780634716818 0.59906664264740 0.55676998726051 78.960 > 7 8 Se 0.63780634716818 0.59906664264740 0.55676998726051 78.960 > 7 9 Se 0.48719365283182 0.65093335735260 0.69323001273949 78.960 > 9 10 Se 0.98719365283182 0.65093335735260 0.69323001273949 78.960 > 9 11 Se 0.26280634716818 0.65093335735260 0.80676998726051 78.960 > 11 12 Se 0.76280634716818 0.65093335735260 0.80676998726051 78.960 > 11 13 Se 0.48719365283182 0.84906664264740 0.80676998726051 78.960 > 13 14 Se 0.98719365283182 0.84906664264740 0.80676998726051 78.960 > 13 15 Se 0.26280634716818 0.84906664264740 0.69323001273949 78.960 > 15 16 Se 0.76280634716818 0.84906664264740 0.69323001273949 78.960 > 15 17 Se 0.11219365283182 0.40093335735260 0.05676998726051 78.960 > 1 18 Se 0.61219365283182 0.40093335735260 0.05676998726051 78.960 > 1 19 Se 0.11219365283182 0.09906664264740 0.44323001273948 78.960 > 3 20 Se 0.61219365283182 0.09906664264740 0.44323001273948 78.960 > 3 21 Se 0.13780634716818 0.40093335735260 0.44323001273948 78.960 > 5 22 Se 0.63780634716818 0.40093335735260 0.44323001273948 78.960 > 5 23 Se 0.13780634716818 0.09906664264740 0.05676998726051 78.960 > 7 24 Se 0.63780634716818 0.09906664264740 0.05676998726051 78.960 > 7 25 Se 0.48719365283182 0.15093335735260 0.19323001273949 78.960 > 9 26 Se 0.98719365283182 0.15093335735260 0.19323001273949 78.960 > 9 27 Se 0.26280634716818 0.15093335735260 0.30676998726052 78.960 > 11 28 Se 0.76280634716818 0.15093335735260 0.30676998726052 78.960 > 11 29 Se 0.48719365283182 0.34906664264740 0.30676998726052 78.960 > 13 30 Se 0.98719365283182 0.34906664264740 0.30676998726052 78.960 > 13 31 Se 0.26280634716818 0.34906664264740 0.19323001273949 78.960 > 15 32 Se 0.76280634716818 0.34906664264740 0.19323001273949 78.960 > 15 33 Se 0.36219365283182 0.90093335735260 0.05676998726051 78.960 > 1 34 Se 0.86219365283182 0.90093335735260 0.05676998726051 78.960 > 1 35 Se 0.36219365283182 0.59906664264740 0.44323001273948 78.960 > 3 36 Se 0.86219365283182 0.59906664264740 0.44323001273948 78.960 > 3 37 Se 0.38780634716818 0.90093335735260 0.44323001273948 78.960 > 5 38 Se 0.88780634716818 0.90093335735260 0.44323001273948 78.960 > 5 39 Se 0.38780634716818 0.59906664264740 0.05676998726051 78.960 > 7 40 Se 0.88780634716818 0.59906664264740 0.05676998726051 78.960 > 7 41 Se 0.23719365283182 0.65093335735260 0.19323001273949 78.960 > 9 42 Se 0.73719365283182 0.65093335735260 0.19323001273949 78.960 > 9 43 Se 0.01280634716818 0.65093335735260 0.30676998726052 78.960 > 11 44 Se 0.51280634716818 0.65093335735260 0.30676998726052 78.960 > 11 45 Se 0.23719365283182 0.84906664264740 0.30676998726052 78.960 > 13 46 Se 0.73719365283182 0.84906664264740 0.30676998726052 78.960 > 13 47 Se 0.01280634716818 0.84906664264740 0.19323001273949 78.960 > 15 48 Se 0.51280634716818 0.84906664264740 0.19323001273949 78.960 > 15 49 Se 0.36219365283182 0.40093335735260 0.55676998726051 78.960 > 1 50 Se 0.86219365283182 0.40093335735260 0.55676998726051 78.960 > 1 51 Se 0.36219365283182 0.09906664264740 0.94323001273949 78.960 > 3 52 Se 0.86219365283182 0.09906664264740 0.94323001273949 78.960 > 3 53 Se 0.38780634716818 0.40093335735260 0.94323001273949 78.960 > 5 54 Se 0.88780634716818 0.40093335735260 0.94323001273949 78.960 > 5 55 Se 0.38780634716818 0.09906664264740 0.55676998726051 78.960 > 7 56 Se 0.88780634716818 0.09906664264740 0.55676998726051 78.960 > 7 57 Se 0.23719365283182 0.15093335735260 0.69323001273949 78.960 > 9 58 Se 0.73719365283182 0.15093335735260 0.69323001273949 78.960 > 9 59 Se 0.01280634716818 0.15093335735260 0.80676998726051 78.960 > 11 60 Se 0.51280634716818 0.15093335735260 0.80676998726051 78.960 > 11 61 Se 0.23719365283182 0.34906664264740 0.80676998726051 78.960 > 13 62 Se 0.73719365283182 0.34906664264740 0.80676998726051 78.960 > 13 63 Se 0.01280634716818 0.34906664264740 0.69323001273949 78.960 > 15 64 Se 0.51280634716818 0.34906664264740 0.69323001273949 78.960 > 15 65 Nb 0.37500000000000 0.75000000000000 0.75000000000000 92.906 > 65 66 Nb 0.87500000000000 0.75000000000000 0.75000000000000 92.906 > 65 67 Nb 0.25000000000000 0.00000000000000 0.00000000000000 92.906 > 67 68 Nb 0.75000000000000 0.00000000000000 0.00000000000000 92.906 > 67 69 Nb 0.37500000000000 0.25000000000000 0.25000000000000 92.906 > 65 70 Nb 0.87500000000000 0.25000000000000 0.25000000000000 92.906 > 65 71 Nb 0.25000000000000 0.50000000000000 0.50000000000000 92.906 > 67 72 Nb 0.75000000000000 0.50000000000000 0.50000000000000 92.906 > 67 73 Nb 0.12500000000000 0.75000000000000 0.25000000000000 92.906 > 65 74 Nb 0.62500000000000 0.75000000000000 0.25000000000000 92.906 > 65 75 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 67 76 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 67 77 Nb 0.12500000000000 0.25000000000000 0.75000000000000 92.906 > 65 78 Nb 0.62500000000000 0.25000000000000 0.75000000000000 92.906 > 65 79 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 > 67 80 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 > 67 81 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 81 82 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 81 83 Ag 0.12500000000000 0.75000000000000 0.75000000000000 107.868 > 83 84 Ag 0.62500000000000 0.75000000000000 0.75000000000000 107.868 > 83 85 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 81 86 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 81 87 Ag 0.12500000000000 0.25000000000000 0.25000000000000 107.868 > 83 88 Ag 0.62500000000000 0.25000000000000 0.25000000000000 107.868 > 83 89 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 81 90 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 81 91 Ag 0.37500000000000 0.75000000000000 0.25000000000000 107.868 > 83 92 Ag 0.87500000000000 0.75000000000000 0.25000000000000 107.868 > 83 93 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 81 94 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 81 95 Ag 0.37500000000000 0.25000000000000 0.75000000000000 107.868 > 83 96 Ag 0.87500000000000 0.25000000000000 0.75000000000000 107.868 > 83 97 Cs 0.37500000000000 0.75000000000000 0.56931449453459 132.905 > 97 98 Cs 0.87500000000000 0.75000000000000 0.56931449453459 132.905 > 97 99 Cs 0.37500000000000 0.75000000000000 0.93068550546541 132.905 > 99 100 Cs 0.87500000000000 0.75000000000000 0.93068550546541 132.905 > 99 101 Cs 0.25000000000000 0.00000000000000 0.81931449453459 132.905 > 101 102 Cs 0.75000000000000 0.00000000000000 0.81931449453459 132.905 > 101 103 Cs 0.00000000000000 0.00000000000000 0.68068550546541 132.905 > 103 104 Cs 0.50000000000000 0.00000000000000 0.68068550546541 132.905 > 103 105 Cs 0.37500000000000 0.25000000000000 0.06931449453459 132.905 > 97 106 Cs 0.87500000000000 0.25000000000000 0.06931449453459 132.905 > 97 107 Cs 0.37500000000000 0.25000000000000 0.43068550546541 132.905 > 99 108 Cs 0.87500000000000 0.25000000000000 0.43068550546541 132.905 > 99 109 Cs 0.25000000000000 0.50000000000000 0.31931449453459 132.905 > 101 110 Cs 0.75000000000000 0.50000000000000 0.31931449453459 132.905 > 101 111 Cs 0.00000000000000 0.50000000000000 0.18068550546541 132.905 > 103 112 Cs 0.50000000000000 0.50000000000000 0.18068550546541 132.905 > 103 113 Cs 0.12500000000000 0.75000000000000 0.06931449453459 132.905 > 97 114 Cs 0.62500000000000 0.75000000000000 0.06931449453459 132.905 > 97 115 Cs 0.12500000000000 0.75000000000000 0.43068550546541 132.905 > 99 116 Cs 0.62500000000000 0.75000000000000 0.43068550546541 132.905 > 99 117 Cs 0.00000000000000 0.00000000000000 0.31931449453459 132.905 > 101 118 Cs 0.50000000000000 0.00000000000000 0.31931449453459 132.905 > 101 119 Cs 0.25000000000000 0.00000000000000 0.18068550546541 132.905 > 103 120 Cs 0.75000000000000 0.00000000000000 0.18068550546541 132.905 > 103 121 Cs 0.12500000000000 0.25000000000000 0.56931449453459 132.905 > 97 122 Cs 0.62500000000000 0.25000000000000 0.56931449453459 132.905 > 97 123 Cs 0.12500000000000 0.25000000000000 0.93068550546541 132.905 > 99 124 Cs 0.62500000000000 0.25000000000000 0.93068550546541 132.905 > 99 125 Cs 0.00000000000000 0.50000000000000 0.81931449453459 132.905 > 101 126 Cs 0.50000000000000 0.50000000000000 0.81931449453459 132.905 > 101 127 Cs 0.25000000000000 0.50000000000000 0.68068550546541 132.905 > 103 128 Cs 0.75000000000000 0.50000000000000 0.68068550546541 132.905 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6769136 0.0000000 0.0000000 0.0000000 4.5588484 0.0000000 0.0000000 0.0000000 4.2745375 -------------------------- Born effective charges -------------------------- 1 Se -1.4199903 0.8854623 -0.7365237 0.3806499 -1.2384465 0.7041135 -0.2273744 0.5855014 -1.0491493 2 Se -1.4199903 -0.8854623 0.7365237 -0.3806499 -1.2384465 0.7041135 0.2273744 0.5855014 -1.0491493 3 Se -1.4199903 -0.8854623 -0.7365237 -0.3806499 -1.2384465 -0.7041135 -0.2273744 -0.5855014 -1.0491493 4 Se -1.4199903 0.8854623 0.7365237 0.3806499 -1.2384465 -0.7041135 0.2273744 -0.5855014 -1.0491493 5 Se -1.4199903 0.8854623 0.7365237 0.3806499 -1.2384465 -0.7041135 0.2273744 -0.5855014 -1.0491493 6 Se -1.4199903 -0.8854623 0.7365237 -0.3806499 -1.2384465 0.7041135 0.2273744 0.5855014 -1.0491493 7 Se -1.4199903 -0.8854623 -0.7365237 -0.3806499 -1.2384465 -0.7041135 -0.2273744 -0.5855014 -1.0491493 8 Se -1.4199903 0.8854623 -0.7365237 0.3806499 -1.2384465 0.7041135 -0.2273744 0.5855014 -1.0491493 9 Nb 3.0066572 0.0000000 0.0000000 0.0000000 1.6261804 0.0000000 0.0000000 0.0000000 1.0306841 10 Nb 3.0066572 0.0000000 0.0000000 0.0000000 1.6261804 0.0000000 0.0000000 0.0000000 1.0306841 11 Ag 0.2304409 0.0000000 0.0000000 0.0000000 0.3846424 0.0000000 0.0000000 0.0000000 0.3884234 12 Ag 0.2304409 0.0000000 0.0000000 0.0000000 0.3846424 0.0000000 0.0000000 0.0000000 0.3884234 13 Cs 1.2214316 -0.0106555 0.0000000 0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 14 Cs 1.2214316 0.0106555 0.0000000 -0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 15 Cs 1.2214316 0.0106555 0.0000000 -0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 16 Cs 1.2214316 -0.0106555 0.0000000 0.0576518 1.4714816 0.0000000 0.0000000 0.0000000 1.3887448 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xyz) 0.00000004 (xyz) 0.00000004 (xzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.51, Number of G-points: 285, Lambda: 0.12 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: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 0.394 ( -0.000 0.000 0.000) 0.000 0.597 ( -0.000 0.000 0.000) 0.000 0.753 ( -0.000 0.000 0.000) 0.000 1.037 ( 0.000 0.000 0.000) 0.000 1.095 ( -0.000 0.000 0.000) 0.000 1.129 ( 0.000 0.000 0.000) 0.000 1.164 ( -0.000 0.000 0.000) 0.000 1.499 ( -0.000 0.000 0.000) 0.000 1.512 ( -0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.622 ( 0.000 0.000 0.000) 0.000 1.692 ( -0.000 0.000 0.000) 0.000 1.850 ( -0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 1.882 ( -0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 1.986 ( -0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.840 ( -0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.945 ( -0.000 0.000 0.000) 0.000 2.994 ( -0.000 0.000 0.000) 0.000 3.017 ( -0.000 -0.000 -0.000) 0.000 3.123 ( -0.000 0.000 -0.000) 0.000 3.749 ( -0.000 0.000 0.000) 0.000 3.791 ( 0.000 -0.000 -0.000) 0.000 4.186 ( -0.000 0.000 0.000) 0.000 4.218 ( -0.000 0.000 0.000) 0.000 4.270 ( -0.000 0.000 -0.000) 0.000 4.271 ( -0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.554 ( -0.000 0.000 0.000) 0.000 5.119 ( -0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 -0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 9.250 ( -0.000 0.000 -0.000) 0.000 9.293 ( -0.000 0.000 -0.000) 0.000 9.312 ( 0.000 0.000 0.000) 0.000 9.361 ( -0.000 0.000 0.000) 0.000 9.375 ( -0.000 0.000 0.000) 0.000 9.486 ( 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: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( -8.233 5.572 7.241) 12.299 0.322 ( -15.004 2.985 1.168) 15.342 0.548 ( -7.937 0.411 1.251) 8.045 0.639 ( -26.506 5.510 -1.831) 27.134 0.695 ( -9.665 3.356 1.416) 10.328 0.944 ( -17.527 1.617 -3.215) 17.893 1.009 ( 4.100 0.866 2.129) 4.700 1.083 ( -3.499 -1.848 -2.675) 4.776 1.124 ( 0.017 -0.759 0.950) 1.216 1.212 ( -1.248 2.222 -0.442) 2.587 1.476 ( 3.606 -0.595 0.580) 3.701 1.558 ( 1.754 -0.591 -0.095) 1.853 1.564 ( -1.870 -0.873 0.203) 2.074 1.610 ( 0.348 -0.451 -1.360) 1.475 1.705 ( -1.409 -0.176 -0.495) 1.503 1.775 ( 3.108 -0.702 -7.031) 7.719 1.833 ( 4.144 -2.744 2.504) 5.566 1.871 ( 2.954 1.791 0.962) 3.586 1.915 ( -0.043 -1.025 -0.498) 1.141 1.925 ( 1.757 -0.055 1.197) 2.127 1.957 ( -1.259 -1.886 1.564) 2.755 2.006 ( -1.517 -0.179 1.205) 1.946 2.026 ( -0.298 0.023 -0.250) 0.389 2.076 ( 4.632 6.560 3.099) 8.608 2.825 ( 1.430 -0.112 -0.056) 1.436 2.835 ( 1.133 -0.056 -0.203) 1.152 2.965 ( -2.160 -0.168 0.063) 2.167 2.994 ( -0.665 0.883 -0.133) 1.113 3.067 ( -3.859 -0.179 0.120) 3.865 3.130 ( -0.809 -0.138 -0.016) 0.821 3.738 ( 5.596 -0.141 -0.184) 5.601 3.756 ( 5.214 -1.142 -0.642) 5.376 4.196 ( -0.810 -0.060 0.534) 0.972 4.224 ( -0.528 0.081 0.002) 0.534 4.276 ( -0.477 0.066 0.020) 0.482 4.283 ( -0.656 0.628 -0.011) 0.908 4.582 ( -2.962 -0.006 -0.071) 2.963 4.583 ( -3.573 -0.220 -0.124) 3.582 5.130 ( 0.249 -0.115 -0.289) 0.398 5.132 ( 0.354 0.106 0.129) 0.392 7.232 ( -0.381 -0.028 -0.138) 0.406 7.233 ( -0.134 -0.009 -0.125) 0.184 9.315 ( -1.729 -0.457 -0.613) 1.890 9.322 ( -2.179 -0.094 0.577) 2.256 9.359 ( -0.458 -0.242 -0.708) 0.877 9.376 ( 0.083 0.577 -0.116) 0.595 9.467 ( 0.923 -2.169 0.035) 2.358 9.596 ( -1.337 -1.403 -2.633) 3.269 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -10.441 5.565 4.668) 12.719 0.590 ( -11.064 0.892 1.161) 11.161 0.666 ( -4.510 0.198 2.581) 5.200 0.835 ( -7.492 1.841 -4.605) 8.984 0.892 ( 2.997 2.031 -1.386) 3.876 1.027 ( -6.826 0.217 4.092) 7.961 1.075 ( 2.027 0.544 -3.372) 3.972 1.189 ( -2.672 -1.618 -0.611) 3.183 1.315 ( -7.245 -0.432 0.818) 7.303 1.325 ( -7.336 -1.509 1.692) 7.678 1.454 ( -7.972 4.272 -0.466) 9.056 1.484 ( 0.510 0.741 -0.261) 0.937 1.571 ( 1.433 -0.191 -1.215) 1.888 1.639 ( -3.575 0.767 0.163) 3.660 1.691 ( 0.822 -1.896 -3.391) 3.971 1.736 ( 3.644 -0.621 -0.558) 3.738 1.741 ( -0.386 0.089 -0.619) 0.735 1.808 ( 4.148 0.823 -2.943) 5.152 1.893 ( 1.580 0.946 4.741) 5.086 1.904 ( 0.463 -0.666 1.334) 1.561 1.993 ( -0.432 0.851 -0.399) 1.035 2.006 ( 1.322 -0.493 0.780) 1.612 2.070 ( -4.543 -0.283 -0.117) 4.553 2.080 ( -5.792 -1.917 1.400) 6.260 2.791 ( 2.064 -0.075 -0.071) 2.067 2.804 ( 1.926 -0.080 -0.304) 1.951 3.016 ( -3.064 0.068 -0.044) 3.065 3.029 ( -2.045 1.028 -0.091) 2.291 3.136 ( -3.468 -0.526 -0.059) 3.508 3.150 ( -1.405 -0.023 0.349) 1.448 3.586 ( 10.478 -0.249 -0.088) 10.482 3.601 ( 10.613 -0.326 -0.109) 10.618 4.220 ( -1.464 0.059 0.220) 1.481 4.238 ( -0.947 0.128 0.008) 0.955 4.287 ( -0.639 0.049 0.087) 0.647 4.302 ( -0.997 0.050 -0.061) 1.000 4.657 ( -4.950 0.039 -0.083) 4.951 4.668 ( -5.476 -0.169 -0.108) 5.480 5.117 ( 1.253 0.094 -0.052) 1.257 5.119 ( 1.347 0.217 0.103) 1.369 7.238 ( -0.497 0.140 -0.150) 0.538 7.242 ( -0.731 0.109 -0.063) 0.742 9.340 ( -1.285 0.232 0.029) 1.307 9.354 ( -0.936 -1.138 -0.304) 1.505 9.378 ( 0.215 0.833 -0.064) 0.863 9.387 ( -2.409 0.911 -0.214) 2.585 9.433 ( 0.400 -2.686 0.682) 2.800 9.595 ( -0.257 -0.255 -1.492) 1.536 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -9.240 2.770 0.784) 9.678 0.722 ( -4.086 0.430 1.150) 4.267 0.760 ( -3.622 -0.605 3.366) 4.981 0.898 ( -4.283 1.084 -2.735) 5.196 0.968 ( -6.061 0.807 -3.565) 7.078 1.017 ( 3.160 1.376 -1.243) 3.664 1.122 ( -2.471 0.063 5.290) 5.839 1.195 ( 0.301 -0.914 0.585) 1.126 1.235 ( 5.275 -1.076 1.092) 5.494 1.281 ( 5.537 -2.842 -0.563) 6.249 1.500 ( 3.552 -2.204 -1.365) 4.398 1.538 ( 2.029 -1.027 -1.177) 2.560 1.607 ( -0.116 1.085 -0.068) 1.094 1.653 ( 3.037 0.641 -0.526) 3.148 1.683 ( 0.366 4.134 -1.548) 4.429 1.738 ( -3.002 2.275 0.330) 3.781 1.774 ( -0.023 1.013 -0.874) 1.338 1.788 ( -4.929 0.291 -0.489) 4.962 1.892 ( 0.671 -2.240 2.735) 3.598 1.932 ( -0.464 1.580 0.575) 1.744 1.967 ( 0.584 -2.160 0.143) 2.242 1.991 ( -1.053 -0.961 0.835) 1.652 2.283 ( -17.983 1.528 0.122) 18.048 2.305 ( -18.665 -0.484 -0.168) 18.673 2.753 ( 1.801 -0.037 -0.033) 1.802 2.765 ( 1.922 -0.097 -0.263) 1.943 3.068 ( -2.195 0.421 -0.174) 2.242 3.074 ( -1.997 0.726 0.146) 2.130 3.169 ( -1.187 -0.267 -0.007) 1.217 3.191 ( -2.028 -0.250 0.306) 2.066 3.352 ( 14.494 -0.325 0.060) 14.498 3.364 ( 14.593 -0.332 -0.047) 14.597 4.250 ( -1.504 0.190 0.039) 1.517 4.259 ( -1.002 0.246 0.076) 1.035 4.298 ( -0.398 -0.028 0.208) 0.450 4.316 ( -0.613 -0.250 -0.179) 0.686 4.755 ( -5.391 0.033 -0.044) 5.392 4.770 ( -5.469 -0.091 -0.038) 5.469 5.081 ( 2.659 0.073 0.103) 2.662 5.088 ( 2.169 0.165 0.043) 2.176 7.252 ( -0.753 0.288 -0.051) 0.808 7.258 ( -0.719 0.220 0.049) 0.753 9.355 ( -0.544 -0.694 -0.354) 0.950 9.363 ( -0.325 0.513 0.029) 0.608 9.377 ( 0.274 0.030 0.030) 0.277 9.403 ( -0.458 -1.174 -0.256) 1.286 9.452 ( -2.073 0.091 1.104) 2.351 9.589 ( 0.100 -0.127 -0.936) 0.949 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -2.887 -0.658 -0.068) 2.961 0.801 ( -0.161 -0.054 1.701) 1.710 0.832 ( -2.383 0.317 -1.709) 2.950 0.948 ( -1.665 0.713 -0.109) 1.814 1.029 ( -3.621 0.036 0.267) 3.631 1.055 ( -4.212 -0.940 -1.061) 4.444 1.132 ( 4.809 3.809 0.780) 6.185 1.168 ( -0.207 -1.008 2.452) 2.660 1.171 ( 3.445 -0.391 0.328) 3.483 1.197 ( 1.026 -1.620 -0.325) 1.945 1.419 ( 1.846 -1.120 -0.134) 2.163 1.490 ( 1.546 -0.744 -0.072) 1.717 1.547 ( 2.401 0.735 -1.785) 3.081 1.614 ( 1.152 0.373 -0.349) 1.260 1.730 ( -0.732 1.274 -0.361) 1.513 1.755 ( 0.195 0.281 -0.276) 0.439 1.803 ( -0.561 1.880 0.869) 2.146 1.842 ( -0.781 0.377 0.003) 0.867 1.874 ( -0.395 -2.274 0.608) 2.387 1.920 ( 0.730 -0.511 0.390) 0.973 1.961 ( -0.333 -0.176 -0.353) 0.516 2.018 ( -0.895 -0.036 0.517) 1.034 2.668 ( -19.195 0.993 -0.083) 19.221 2.679 ( -19.046 0.962 0.274) 19.072 2.728 ( 0.672 -0.109 -0.027) 0.682 2.743 ( -2.183 -0.396 -0.332) 2.244 3.047 ( 17.566 -0.518 -0.010) 17.574 3.054 ( 17.524 -0.452 -0.028) 17.530 3.098 ( -0.465 0.249 -0.038) 0.529 3.109 ( -0.476 0.236 0.114) 0.543 3.185 ( -0.364 -0.099 0.038) 0.379 3.219 ( -0.575 -0.084 0.110) 0.592 4.273 ( -0.750 0.183 -0.061) 0.775 4.276 ( -0.481 0.139 0.052) 0.503 4.303 ( -0.042 -0.017 0.248) 0.252 4.319 ( -0.110 -0.245 -0.183) 0.325 4.841 ( -3.231 0.015 -0.008) 3.231 4.853 ( -2.957 -0.050 -0.028) 2.958 5.031 ( 2.238 0.013 0.039) 2.238 5.049 ( 1.745 0.073 0.061) 1.747 7.266 ( -0.460 0.139 -0.046) 0.483 7.269 ( -0.215 0.133 0.092) 0.269 9.356 ( -0.217 -0.336 -0.218) 0.455 9.366 ( 0.235 0.444 0.129) 0.518 9.372 ( -0.048 -0.413 -0.079) 0.424 9.407 ( -0.355 -0.249 0.081) 0.441 9.485 ( -0.789 0.121 0.395) 0.890 9.583 ( 0.090 -0.061 -0.348) 0.365 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.056 ( 0.000 0.000 6.246) 6.246 0.059 ( 0.000 0.000 6.535) 6.535 0.177 ( 0.000 0.000 19.896) 19.896 0.399 ( 0.000 0.000 1.183) 1.183 0.585 ( -0.000 -0.000 -2.717) 2.717 0.753 ( 0.000 0.000 0.108) 0.108 1.032 ( -0.000 -0.000 -1.364) 1.364 1.098 ( 0.000 0.000 0.673) 0.673 1.120 ( -0.000 -0.000 -1.745) 1.745 1.146 ( -0.000 -0.000 -4.070) 4.070 1.510 ( 0.000 0.000 2.290) 2.290 1.574 ( -0.000 -0.000 -0.360) 0.360 1.577 ( -0.000 -0.000 -0.062) 0.062 1.618 ( -0.000 -0.000 -0.805) 0.805 1.688 ( -0.000 -0.000 -1.049) 1.049 1.776 ( -0.000 -0.000 -9.254) 9.254 1.876 ( 0.000 0.000 0.374) 0.374 1.885 ( 0.000 0.000 0.616) 0.616 1.922 ( 0.000 0.000 0.009) 0.009 1.952 ( 0.000 0.000 9.250) 9.250 1.966 ( -0.000 -0.000 -1.067) 1.067 1.990 ( 0.000 0.000 0.659) 0.659 2.022 ( -0.000 -0.000 -0.133) 0.133 2.277 ( -0.000 -0.000 -1.120) 1.120 2.839 ( -0.000 -0.000 -0.101) 0.101 2.845 ( -0.000 -0.000 -0.198) 0.198 2.960 ( -0.000 -0.000 -0.054) 0.054 2.992 ( -0.000 -0.000 -0.502) 0.502 3.019 ( 0.000 0.000 0.504) 0.504 3.119 ( -0.000 -0.000 -0.915) 0.915 3.750 ( 0.000 0.000 0.239) 0.239 3.790 ( -0.000 -0.000 -0.334) 0.334 4.218 ( 0.000 0.000 0.009) 0.009 4.223 ( -0.000 -0.000 -0.060) 0.060 4.270 ( -0.000 -0.000 -0.009) 0.009 4.271 ( -0.000 -0.000 -0.016) 0.016 4.550 ( -0.000 -0.000 -0.002) 0.002 4.554 ( -0.000 -0.000 -0.063) 0.063 5.119 ( 0.000 0.000 0.084) 0.084 5.133 ( -0.000 -0.000 -0.116) 0.116 7.228 ( -0.000 -0.000 -0.281) 0.281 7.231 ( -0.000 -0.000 -0.336) 0.336 9.251 ( 0.000 0.000 0.111) 0.111 9.289 ( -0.000 -0.000 -0.891) 0.891 9.317 ( 0.000 0.000 0.964) 0.964 9.373 ( -0.000 -0.000 -0.300) 0.300 9.486 ( -0.000 -0.000 -0.073) 0.073 9.491 ( -0.000 -0.000 -0.153) 0.153 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( -6.896 0.772 11.695) 13.599 0.346 ( -12.775 4.524 4.918) 14.417 0.567 ( -8.599 -0.068 2.576) 8.977 0.616 ( -18.034 5.543 -2.753) 19.067 0.712 ( -17.569 3.724 2.427) 18.123 0.906 ( -10.604 1.161 -4.868) 11.726 1.027 ( -2.518 1.302 1.084) 3.035 1.047 ( -1.661 -0.058 -5.025) 5.293 1.131 ( -2.457 -2.907 0.506) 3.840 1.203 ( -2.411 3.275 -1.343) 4.283 1.486 ( 4.017 -1.141 1.391) 4.401 1.552 ( 2.168 -1.558 -1.261) 2.953 1.573 ( -2.761 -0.140 1.542) 3.166 1.594 ( 1.029 -0.268 -1.658) 1.970 1.691 ( 0.571 -0.219 -4.457) 4.499 1.709 ( 0.304 -0.346 -5.038) 5.059 1.846 ( 4.384 -1.826 0.774) 4.812 1.877 ( 3.454 0.404 0.319) 3.492 1.904 ( -0.930 0.067 -0.609) 1.114 1.956 ( 1.904 -0.590 2.164) 2.942 1.964 ( 0.038 0.519 1.455) 1.545 2.021 ( -1.299 -0.233 0.394) 1.377 2.029 ( -0.214 0.491 2.687) 2.740 2.117 ( 6.108 1.857 4.882) 8.037 2.824 ( 1.422 -0.124 -0.139) 1.434 2.832 ( 1.132 -0.090 -0.442) 1.219 2.966 ( -1.994 -0.295 0.126) 2.020 2.991 ( -0.825 0.741 -0.363) 1.167 3.070 ( -3.790 -0.183 0.423) 3.818 3.129 ( -1.060 -0.165 -0.362) 1.132 3.735 ( 5.211 -0.533 -0.581) 5.270 3.748 ( 4.729 -0.077 -0.934) 4.821 4.204 ( -0.331 -0.357 0.926) 1.046 4.224 ( -0.510 0.102 0.005) 0.520 4.276 ( -0.541 -0.016 0.042) 0.543 4.283 ( -0.694 0.583 -0.028) 0.906 4.581 ( -3.244 -0.134 -0.237) 3.256 4.582 ( -3.229 0.047 -0.142) 3.232 5.128 ( 0.079 -0.136 -0.269) 0.311 5.133 ( 0.313 0.348 -0.024) 0.468 7.230 ( -0.367 -0.044 -0.352) 0.511 7.231 ( -0.233 0.073 -0.314) 0.398 9.309 ( -2.182 -0.089 -0.602) 2.265 9.326 ( -2.186 -1.021 0.063) 2.413 9.350 ( -1.283 0.693 -1.094) 1.823 9.374 ( 0.013 0.580 -0.336) 0.671 9.467 ( 0.819 -2.119 0.106) 2.275 9.561 ( -2.834 0.148 -4.281) 5.137 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -8.706 3.281 7.333) 11.846 0.606 ( -9.991 1.440 2.532) 10.407 0.697 ( -4.695 -0.016 4.163) 6.275 0.789 ( -6.752 1.339 -5.399) 8.748 0.872 ( 1.429 2.175 -2.889) 3.888 1.035 ( 0.757 0.928 -5.422) 5.553 1.068 ( -7.558 0.360 4.651) 8.882 1.181 ( -3.332 -1.566 -1.024) 3.821 1.324 ( -4.303 -0.914 1.353) 4.602 1.344 ( -8.454 -0.433 2.273) 8.765 1.449 ( -5.115 3.291 -0.550) 6.107 1.480 ( -3.116 1.467 -0.678) 3.511 1.556 ( 2.274 0.393 -2.071) 3.101 1.630 ( -1.994 -0.755 -3.997) 4.530 1.660 ( -3.454 1.246 -0.752) 3.748 1.733 ( 5.463 -1.803 -0.210) 5.757 1.736 ( -1.925 -0.158 -0.525) 2.002 1.791 ( 5.638 0.402 -1.274) 5.794 1.915 ( 0.007 -0.357 1.517) 1.559 1.929 ( 0.582 -0.373 2.848) 2.931 1.991 ( -0.304 2.073 0.048) 2.095 2.013 ( 1.531 -1.005 0.864) 2.025 2.069 ( -3.914 -0.787 -0.085) 3.993 2.096 ( -4.404 -1.562 2.101) 5.123 2.790 ( 2.022 -0.091 -0.092) 2.027 2.800 ( 1.878 -0.062 -0.472) 1.938 3.015 ( -3.036 0.079 -0.054) 3.038 3.028 ( -2.203 0.901 -0.143) 2.384 3.136 ( -3.146 -0.721 -0.023) 3.228 3.154 ( -1.774 0.141 0.428) 1.831 3.585 ( 10.288 -0.368 -0.143) 10.296 3.600 ( 10.585 -0.121 -0.145) 10.587 4.222 ( -1.353 -0.064 0.323) 1.392 4.238 ( -0.956 0.157 0.008) 0.969 4.288 ( -0.703 -0.010 0.147) 0.719 4.301 ( -0.930 0.086 -0.106) 0.940 4.656 ( -5.026 -0.061 -0.134) 5.028 4.667 ( -5.471 0.018 -0.146) 5.473 5.116 ( 1.110 0.090 -0.024) 1.114 5.120 ( 1.422 0.243 0.102) 1.447 7.237 ( -0.623 0.079 -0.217) 0.664 7.242 ( -0.751 0.250 -0.110) 0.799 9.341 ( -1.269 0.088 0.026) 1.273 9.350 ( -1.105 -1.021 -0.437) 1.567 9.377 ( 0.012 0.778 -0.067) 0.781 9.385 ( -1.836 0.714 -0.284) 1.990 9.441 ( -0.254 -2.461 1.089) 2.703 9.578 ( -0.761 0.249 -2.288) 2.424 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -6.938 0.584 1.034) 7.039 0.736 ( -4.233 0.885 1.647) 4.628 0.793 ( -3.164 -0.733 4.151) 5.270 0.870 ( -5.729 -0.163 -3.270) 6.599 0.940 ( -5.962 0.236 -2.917) 6.642 1.006 ( 1.286 3.149 -1.338) 3.655 1.165 ( -1.911 0.294 4.253) 4.672 1.201 ( 0.416 -0.858 0.874) 1.294 1.245 ( 5.233 -0.821 1.170) 5.425 1.274 ( 5.354 -2.530 -1.008) 6.007 1.495 ( 3.651 -1.426 0.009) 3.919 1.520 ( 1.369 -0.725 -2.035) 2.558 1.604 ( 1.904 1.399 -0.492) 2.413 1.636 ( 3.143 0.836 -3.304) 4.636 1.680 ( -1.222 1.628 1.006) 2.271 1.737 ( -2.271 0.898 -0.363) 2.469 1.771 ( -3.955 2.669 -0.332) 4.783 1.784 ( -3.518 0.159 0.049) 3.522 1.914 ( 1.327 -3.418 1.906) 4.132 1.936 ( -0.413 0.879 0.577) 1.129 1.972 ( 2.003 -0.768 0.846) 2.306 1.997 ( -1.516 -0.546 0.578) 1.712 2.285 ( -18.347 1.283 0.203) 18.392 2.303 ( -18.171 -0.130 -0.253) 18.173 2.753 ( 1.770 -0.079 -0.007) 1.772 2.762 ( 1.859 -0.046 -0.328) 1.888 3.067 ( -2.198 0.360 -0.117) 2.230 3.075 ( -2.090 0.677 0.093) 2.198 3.169 ( -1.423 -0.616 -0.022) 1.551 3.194 ( -1.703 0.053 0.353) 1.740 3.353 ( 14.413 -0.411 0.076) 14.419 3.364 ( 14.570 -0.311 -0.061) 14.573 4.250 ( -1.440 0.096 0.045) 1.444 4.259 ( -1.029 0.260 0.084) 1.065 4.301 ( -0.466 -0.065 0.308) 0.562 4.314 ( -0.558 -0.215 -0.274) 0.657 4.754 ( -5.477 -0.096 -0.051) 5.478 4.770 ( -5.432 0.040 -0.042) 5.433 5.082 ( 2.655 -0.016 0.116) 2.658 5.089 ( 2.122 0.147 0.050) 2.128 7.251 ( -0.834 0.178 -0.049) 0.854 7.258 ( -0.734 0.309 0.047) 0.798 9.352 ( -0.601 -0.837 -0.298) 1.073 9.362 ( -0.344 0.490 -0.143) 0.615 9.378 ( 0.106 -0.536 0.186) 0.577 9.400 ( -0.389 0.109 -0.270) 0.486 9.463 ( -1.946 -0.711 1.291) 2.442 9.580 ( -0.209 0.156 -1.194) 1.222 ======================= Grid point 14 (10/125) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -2.904 -0.853 -0.114) 3.029 0.805 ( -0.916 -0.519 -0.849) 1.352 0.829 ( -1.463 -1.415 1.236) 2.382 0.952 ( -2.923 -0.011 1.044) 3.104 1.020 ( -5.411 -1.009 -2.208) 5.931 1.053 ( -2.122 1.000 0.441) 2.387 1.136 ( 4.809 3.335 0.061) 5.852 1.166 ( 3.237 0.528 -0.653) 3.344 1.192 ( 1.273 -2.189 -0.068) 2.533 1.200 ( 1.773 -0.335 2.909) 3.423 1.424 ( 2.475 -0.006 0.774) 2.593 1.488 ( 1.260 -0.594 -0.245) 1.414 1.537 ( 0.890 -0.079 -0.527) 1.037 1.601 ( 0.334 0.551 -2.551) 2.631 1.729 ( -0.732 0.426 -0.059) 0.849 1.755 ( -0.859 -0.692 0.234) 1.127 1.815 ( -0.123 1.344 1.557) 2.061 1.842 ( -0.918 0.336 -0.013) 0.977 1.871 ( -0.012 -2.669 -1.093) 2.884 1.926 ( 1.248 -0.401 0.770) 1.520 1.962 ( 0.027 0.977 0.499) 1.097 2.020 ( -0.617 -0.217 -0.004) 0.654 2.668 ( -18.850 0.932 -0.008) 18.873 2.681 ( -20.113 0.993 0.185) 20.139 2.728 ( 0.667 -0.180 -0.012) 0.691 2.740 ( -1.555 -0.269 -0.312) 1.608 3.047 ( 17.564 -0.554 0.010) 17.573 3.054 ( 17.279 -0.323 -0.061) 17.283 3.098 ( -0.343 0.056 0.100) 0.362 3.109 ( -0.438 0.221 -0.022) 0.491 3.185 ( -0.487 -0.473 0.045) 0.680 3.220 ( -0.376 0.113 0.091) 0.403 4.273 ( -0.799 0.141 -0.040) 0.812 4.276 ( -0.436 0.089 0.033) 0.447 4.305 ( 0.085 -0.133 0.275) 0.317 4.318 ( -0.222 -0.136 -0.220) 0.341 4.841 ( -3.278 -0.076 -0.008) 3.279 4.853 ( -2.936 0.035 -0.023) 2.936 5.031 ( 2.179 -0.213 0.035) 2.190 5.049 ( 1.783 0.073 0.053) 1.785 7.265 ( -0.490 0.055 -0.026) 0.494 7.270 ( -0.208 0.089 0.066) 0.235 9.355 ( -0.414 -0.513 -0.153) 0.677 9.367 ( 0.332 0.877 -0.024) 0.939 9.372 ( -0.334 -1.275 0.061) 1.320 9.408 ( 0.078 0.720 0.032) 0.725 9.488 ( -0.687 -0.587 0.380) 0.980 9.580 ( -0.180 0.136 -0.330) 0.400 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 1.867 0.346 0.130) 1.903 0.786 ( 1.566 -0.108 -1.383) 2.092 0.848 ( 2.510 -2.212 1.594) 3.706 0.951 ( 0.251 -1.377 0.505) 1.488 1.022 ( 4.195 0.378 -0.833) 4.294 1.065 ( 1.642 0.704 1.033) 2.063 1.120 ( -1.503 -1.586 -1.714) 2.777 1.151 ( -0.538 0.464 -0.896) 1.144 1.172 ( -3.683 -0.045 -0.005) 3.683 1.198 ( 0.793 1.858 -0.198) 2.030 1.428 ( -2.077 1.692 1.462) 3.052 1.487 ( -1.655 1.011 -0.803) 2.099 1.566 ( -2.813 -0.903 2.284) 3.735 1.608 ( -2.250 -0.670 -1.574) 2.827 1.734 ( -0.020 -1.627 0.247) 1.645 1.759 ( -0.723 -1.357 0.510) 1.620 1.801 ( 1.066 -3.264 0.205) 3.440 1.842 ( 0.749 -0.498 -0.033) 0.900 1.863 ( 0.758 2.795 -1.438) 3.233 1.919 ( -0.242 0.689 -0.112) 0.739 1.968 ( 0.632 1.281 0.979) 1.731 2.012 ( 1.163 -0.264 -0.824) 1.449 2.669 ( 19.876 -1.090 0.147) 19.907 2.676 ( 17.822 -0.889 -0.267) 17.846 2.728 ( -0.676 0.069 0.022) 0.680 2.745 ( 2.643 0.482 0.207) 2.694 3.047 ( -17.641 0.483 0.020) 17.647 3.054 ( -17.556 0.572 -0.009) 17.566 3.099 ( 0.280 -0.444 0.160) 0.548 3.107 ( 0.685 -0.230 -0.200) 0.750 3.184 ( 0.263 -0.240 -0.016) 0.356 3.218 ( 0.749 0.268 -0.076) 0.799 4.274 ( 0.674 -0.217 0.073) 0.712 4.275 ( 0.554 -0.188 -0.065) 0.588 4.301 ( 0.114 -0.051 -0.144) 0.191 4.321 ( 0.050 0.307 0.100) 0.327 4.841 ( 3.190 -0.092 0.005) 3.191 4.853 ( 2.975 0.123 0.019) 2.977 5.030 ( -2.289 -0.216 -0.026) 2.300 5.048 ( -1.711 -0.071 -0.040) 1.713 7.266 ( 0.437 -0.235 0.060) 0.500 7.268 ( 0.218 -0.151 -0.089) 0.280 9.358 ( -0.111 0.027 0.223) 0.250 9.365 ( 0.151 0.231 -0.208) 0.346 9.373 ( -0.413 -0.580 0.120) 0.722 9.406 ( 0.813 1.235 -0.084) 1.481 9.482 ( 0.843 -0.756 -0.239) 1.157 9.586 ( -0.307 0.207 0.215) 0.428 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 10.920 -4.788 -0.406) 11.931 0.720 ( 3.690 0.546 0.754) 3.805 0.734 ( 3.730 0.658 -2.325) 4.445 0.914 ( 3.800 -2.624 0.839) 4.693 1.003 ( 5.105 -1.191 3.516) 6.312 1.026 ( -3.237 -0.124 0.796) 3.336 1.076 ( 2.441 0.343 -4.317) 4.971 1.191 ( 0.033 1.298 -0.277) 1.327 1.228 ( -5.598 1.015 -0.415) 5.704 1.284 ( -5.558 3.153 0.136) 6.391 1.517 ( -3.393 2.232 2.314) 4.674 1.537 ( -2.308 1.883 -1.281) 3.243 1.606 ( 1.467 -0.785 -0.184) 1.674 1.656 ( -3.601 -1.939 0.221) 4.096 1.696 ( -0.686 -4.908 0.955) 5.047 1.733 ( 3.135 -2.497 -0.404) 4.028 1.786 ( -1.879 -1.030 1.141) 2.428 1.791 ( 4.342 -0.150 0.077) 4.345 1.871 ( 0.202 2.077 -1.582) 2.618 1.926 ( 1.113 -1.646 -0.411) 2.029 1.969 ( 1.011 2.512 0.419) 2.740 1.984 ( -0.074 1.183 -0.660) 1.357 2.283 ( 17.827 -1.644 -0.038) 17.902 2.306 ( 18.906 0.676 0.057) 18.918 2.753 ( -1.820 0.018 0.017) 1.820 2.766 ( -1.964 0.124 0.100) 1.971 3.070 ( 2.346 -0.376 0.160) 2.382 3.073 ( 1.779 -0.847 -0.148) 1.976 3.169 ( 1.010 -0.006 -0.002) 1.010 3.189 ( 2.268 0.496 -0.118) 2.324 3.352 ( -14.542 0.275 -0.022) 14.545 3.364 ( -14.613 0.340 0.017) 14.617 4.249 ( 1.551 -0.256 -0.015) 1.572 4.258 ( 0.981 -0.232 -0.030) 1.008 4.297 ( 0.364 0.010 -0.073) 0.371 4.317 ( 0.638 0.268 0.062) 0.695 4.755 ( 5.335 -0.118 0.017) 5.337 4.771 ( 5.492 0.178 0.016) 5.495 5.080 ( -2.663 -0.128 -0.041) 2.666 5.088 ( -2.198 -0.179 -0.017) 2.205 7.252 ( 0.693 -0.380 0.023) 0.791 7.258 ( 0.715 -0.142 -0.022) 0.730 9.358 ( 0.530 0.666 0.315) 0.908 9.361 ( 0.317 -0.425 -0.219) 0.574 9.377 ( -0.457 -0.693 0.039) 0.831 9.405 ( 0.519 2.444 0.120) 2.502 9.445 ( 2.177 -0.888 -0.452) 2.395 9.595 ( -0.298 0.279 0.349) 0.537 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 11.236 -6.456 -0.000) 12.958 0.584 ( 11.462 -0.737 -0.000) 11.486 0.654 ( 4.453 -0.248 -0.000) 4.460 0.860 ( 8.266 -2.390 -0.000) 8.604 0.897 ( -3.976 -1.773 -0.000) 4.353 1.006 ( 6.433 -0.053 -0.000) 6.433 1.091 ( -2.693 -0.441 -0.000) 2.729 1.192 ( 2.336 1.619 0.000) 2.842 1.311 ( 11.556 -1.044 -0.000) 11.603 1.317 ( 3.894 3.262 0.000) 5.080 1.457 ( 9.714 -4.826 -0.000) 10.847 1.485 ( -2.410 -0.309 0.000) 2.430 1.576 ( -0.834 0.360 0.000) 0.909 1.638 ( 3.252 -0.953 -0.000) 3.389 1.704 ( -2.980 3.401 0.000) 4.522 1.739 ( -0.361 0.606 0.000) 0.705 1.746 ( -2.398 -1.031 -0.000) 2.610 1.845 ( -4.716 -0.486 0.000) 4.741 1.847 ( -0.025 -1.976 -0.000) 1.976 1.898 ( -0.686 0.645 0.000) 0.942 1.998 ( -0.049 -2.335 -0.000) 2.335 1.998 ( -0.651 2.172 0.000) 2.267 2.071 ( 4.865 -1.047 -0.000) 4.976 2.072 ( 6.183 3.190 0.000) 6.957 2.791 ( -2.078 0.071 0.000) 2.080 2.805 ( -1.949 0.087 0.000) 1.951 3.016 ( 3.073 -0.062 -0.000) 3.073 3.029 ( 1.983 -1.084 -0.000) 2.260 3.137 ( 3.667 0.431 -0.000) 3.692 3.148 ( 1.196 0.105 -0.000) 1.201 3.586 ( -10.553 0.199 0.000) 10.555 3.602 ( -10.630 0.412 0.000) 10.638 4.219 ( 1.514 -0.108 -0.000) 1.518 4.238 ( 0.943 -0.118 -0.000) 0.950 4.287 ( 0.618 -0.070 -0.000) 0.622 4.302 ( 1.019 -0.039 -0.000) 1.020 4.657 ( 4.921 -0.082 -0.000) 4.921 4.668 ( 5.475 0.247 -0.000) 5.480 5.117 ( -1.394 -0.087 0.000) 1.396 5.118 ( -1.234 -0.215 -0.000) 1.252 7.239 ( 0.438 -0.179 -0.000) 0.473 7.243 ( 0.732 -0.038 -0.000) 0.733 9.340 ( 1.292 -0.264 -0.000) 1.319 9.355 ( 0.860 1.164 0.000) 1.448 9.378 ( -0.284 -0.879 -0.000) 0.924 9.388 ( 2.704 -1.021 -0.000) 2.891 9.430 ( -0.721 2.838 0.000) 2.928 9.602 ( 0.008 0.460 0.000) 0.460 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.111 ( 0.000 0.000 5.987) 5.987 0.115 ( 0.000 0.000 5.933) 5.933 0.354 ( 0.000 0.000 19.935) 19.935 0.412 ( 0.000 0.000 1.385) 1.385 0.551 ( -0.000 -0.000 -4.655) 4.655 0.759 ( 0.000 0.000 1.398) 1.398 1.006 ( -0.000 -0.000 -4.683) 4.683 1.090 ( -0.000 -0.000 -8.562) 8.562 1.106 ( 0.000 0.000 0.889) 0.889 1.108 ( -0.000 -0.000 -0.600) 0.600 1.537 ( 0.000 0.000 3.469) 3.469 1.569 ( -0.000 -0.000 -0.613) 0.613 1.576 ( -0.000 -0.000 -0.275) 0.275 1.609 ( -0.000 -0.000 -1.055) 1.055 1.674 ( -0.000 -0.000 -1.909) 1.909 1.701 ( -0.000 -0.000 -7.364) 7.364 1.882 ( 0.000 0.000 0.825) 0.825 1.892 ( 0.000 0.000 1.015) 1.015 1.922 ( -0.000 -0.000 -0.158) 0.158 1.955 ( -0.000 -0.000 -1.432) 1.432 1.996 ( 0.000 0.000 0.699) 0.699 2.020 ( -0.000 -0.000 -0.270) 0.270 2.030 ( 0.000 0.000 8.257) 8.257 2.262 ( -0.000 -0.000 -2.248) 2.248 2.838 ( -0.000 -0.000 -0.146) 0.146 2.843 ( -0.000 -0.000 -0.314) 0.314 2.960 ( 0.000 0.000 0.000) 0.000 2.986 ( -0.000 -0.000 -0.849) 0.849 3.026 ( 0.000 0.000 1.020) 1.020 3.107 ( -0.000 -0.000 -1.649) 1.649 3.753 ( 0.000 0.000 0.463) 0.463 3.785 ( -0.000 -0.000 -0.610) 0.610 4.219 ( 0.000 0.000 0.024) 0.024 4.222 ( -0.000 -0.000 -0.102) 0.102 4.270 ( -0.000 -0.000 -0.012) 0.012 4.270 ( -0.000 -0.000 -0.025) 0.025 4.550 ( 0.000 0.000 0.008) 0.008 4.553 ( -0.000 -0.000 -0.107) 0.107 5.120 ( 0.000 0.000 0.164) 0.164 5.131 ( -0.000 -0.000 -0.212) 0.212 7.224 ( -0.000 -0.000 -0.421) 0.421 7.227 ( -0.000 -0.000 -0.525) 0.525 9.252 ( 0.000 0.000 0.236) 0.236 9.280 ( -0.000 -0.000 -0.974) 0.974 9.327 ( 0.000 0.000 1.131) 1.131 9.369 ( -0.000 -0.000 -0.570) 0.570 9.485 ( -0.000 -0.000 -0.098) 0.098 9.490 ( -0.000 -0.000 -0.249) 0.249 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( -12.786 -0.928 5.438) 13.926 0.431 ( -5.318 3.703 12.814) 14.359 0.565 ( -10.642 2.477 -3.546) 11.488 0.617 ( -12.377 2.915 3.291) 13.134 0.738 ( -20.723 3.974 3.377) 21.370 0.863 ( -5.696 0.789 -4.658) 7.400 0.996 ( -1.363 0.097 -6.183) 6.332 1.020 ( -6.483 1.893 -2.863) 7.335 1.135 ( -3.540 -2.702 0.424) 4.473 1.191 ( -4.196 3.813 -1.179) 5.791 1.499 ( 4.118 -1.705 1.538) 4.715 1.540 ( 2.589 -2.586 -1.312) 3.887 1.578 ( 0.701 1.481 -0.870) 1.855 1.595 ( -1.945 -0.923 2.167) 3.054 1.631 ( 2.867 -0.230 -6.551) 7.155 1.688 ( -2.037 -0.011 -1.847) 2.749 1.851 ( 4.538 -1.893 0.416) 4.934 1.879 ( 3.677 0.417 0.258) 3.710 1.904 ( -0.816 0.657 0.374) 1.112 1.950 ( 0.051 0.714 -1.413) 1.584 1.987 ( 1.367 0.103 1.915) 2.355 2.021 ( -0.562 0.194 -0.142) 0.612 2.065 ( 0.436 -0.547 4.676) 4.728 2.150 ( 5.699 -0.289 2.371) 6.179 2.823 ( 1.406 -0.149 -0.147) 1.421 2.828 ( 1.192 -0.136 -0.436) 1.276 2.967 ( -1.838 -0.423 0.152) 1.892 2.987 ( -1.068 0.599 -0.496) 1.322 3.075 ( -3.611 -0.230 0.817) 3.709 3.123 ( -1.651 -0.095 -0.956) 1.910 3.729 ( 4.704 -0.723 -0.618) 4.799 3.741 ( 4.768 0.701 -0.539) 4.850 4.211 ( -0.168 -0.554 0.649) 0.870 4.224 ( -0.471 0.142 0.008) 0.492 4.276 ( -0.633 -0.113 0.035) 0.644 4.283 ( -0.744 0.521 -0.032) 0.909 4.579 ( -3.209 -0.069 -0.172) 3.214 4.581 ( -3.107 0.109 -0.143) 3.112 5.126 ( 0.028 -0.082 -0.128) 0.155 5.132 ( 0.217 0.495 -0.093) 0.548 7.226 ( -0.373 -0.053 -0.401) 0.550 7.228 ( -0.359 0.177 -0.358) 0.536 9.304 ( -2.527 0.032 -0.400) 2.559 9.320 ( -3.153 -1.137 -1.253) 3.578 9.347 ( -1.091 1.171 0.338) 1.636 9.370 ( -0.121 0.593 -0.522) 0.799 9.469 ( 0.601 -2.107 0.179) 2.198 9.529 ( -2.566 1.056 -2.887) 4.005 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -7.281 0.337 7.471) 10.438 0.634 ( -8.010 2.012 3.590) 9.006 0.724 ( -8.054 -0.222 -0.706) 8.088 0.753 ( -2.825 1.477 -0.570) 3.238 0.845 ( -0.697 2.166 -2.476) 3.363 0.981 ( -0.660 1.691 -6.341) 6.595 1.106 ( -8.169 0.146 3.680) 8.961 1.171 ( -3.980 -1.243 -1.187) 4.335 1.337 ( -3.087 -0.556 1.485) 3.470 1.363 ( -7.368 -0.256 1.868) 7.605 1.445 ( -4.483 2.695 -0.418) 5.247 1.474 ( -5.303 1.943 -0.409) 5.662 1.534 ( 1.862 0.547 -2.884) 3.476 1.586 ( -1.543 0.509 -4.429) 4.718 1.670 ( -3.804 0.378 1.718) 4.191 1.730 ( 0.845 -0.806 -0.741) 1.383 1.732 ( 2.208 -1.272 -0.148) 2.552 1.783 ( 6.497 0.246 -0.671) 6.536 1.927 ( -0.580 -0.645 1.029) 1.346 1.947 ( -0.739 -0.789 1.243) 1.647 1.991 ( 0.216 1.638 -0.117) 1.656 2.022 ( 1.534 0.302 1.116) 1.921 2.068 ( -3.413 -2.023 -0.075) 3.968 2.114 ( -2.780 -0.941 1.782) 3.434 2.789 ( 1.961 -0.121 -0.038) 1.965 2.796 ( 1.848 -0.035 -0.448) 1.902 3.015 ( -2.993 0.091 -0.034) 2.994 3.026 ( -2.392 0.777 -0.133) 2.518 3.136 ( -2.861 -0.925 0.019) 3.006 3.157 ( -2.144 0.308 0.303) 2.187 3.584 ( 10.077 -0.483 -0.132) 10.090 3.599 ( 10.573 0.084 -0.109) 10.574 4.225 ( -1.251 -0.207 0.272) 1.297 4.239 ( -0.965 0.204 0.002) 0.987 4.290 ( -0.806 -0.102 0.153) 0.827 4.300 ( -0.826 0.148 -0.116) 0.847 4.655 ( -5.109 -0.156 -0.123) 5.113 4.665 ( -5.454 0.205 -0.112) 5.459 5.116 ( 1.013 0.084 -0.002) 1.017 5.121 ( 1.441 0.268 0.070) 1.468 7.235 ( -0.748 0.043 -0.184) 0.772 7.241 ( -0.793 0.378 -0.105) 0.885 9.341 ( -1.274 -0.351 -0.049) 1.322 9.347 ( -1.247 -0.622 -0.300) 1.426 9.377 ( -0.315 0.842 -0.024) 0.900 9.382 ( -1.280 0.495 -0.244) 1.394 9.451 ( -0.897 -2.427 1.127) 2.822 9.557 ( -1.113 0.855 -2.119) 2.542 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -5.104 -0.345 1.094) 5.231 0.746 ( -3.743 -0.459 0.416) 3.794 0.832 ( -2.193 -0.944 4.101) 4.745 0.847 ( -7.579 0.135 -1.428) 7.714 0.913 ( -5.638 -0.630 -3.261) 6.544 0.995 ( -0.972 4.718 -0.945) 4.909 1.192 ( -0.168 0.777 1.568) 1.758 1.212 ( -1.201 -1.697 1.649) 2.653 1.254 ( 6.058 -0.007 0.700) 6.098 1.265 ( 4.943 -2.430 -0.800) 5.566 1.483 ( 1.339 -0.602 -2.250) 2.687 1.525 ( 2.844 -0.592 2.786) 4.025 1.600 ( 1.744 2.287 -1.462) 3.226 1.601 ( 4.546 -0.341 -3.255) 5.602 1.692 ( -1.972 0.108 1.200) 2.311 1.735 ( -2.019 -0.097 -0.129) 2.026 1.765 ( -6.295 3.264 -0.914) 7.149 1.789 ( -2.424 0.997 0.644) 2.699 1.921 ( 1.632 -4.097 0.039) 4.410 1.947 ( -0.410 0.113 1.585) 1.642 1.978 ( 2.207 -0.504 0.258) 2.279 2.001 ( -1.048 0.355 0.348) 1.159 2.287 ( -18.951 0.930 0.204) 18.975 2.301 ( -17.446 0.314 -0.235) 17.451 2.753 ( 1.741 -0.151 0.038) 1.748 2.759 ( 1.805 0.032 -0.256) 1.823 3.066 ( -2.233 0.295 -0.054) 2.253 3.076 ( -2.132 0.650 0.042) 2.229 3.169 ( -1.601 -0.869 -0.019) 1.822 3.197 ( -1.454 0.265 0.230) 1.496 3.353 ( 14.331 -0.498 0.055) 14.339 3.363 ( 14.560 -0.283 -0.046) 14.562 4.250 ( -1.389 0.018 0.030) 1.390 4.260 ( -1.048 0.266 0.054) 1.082 4.303 ( -0.582 -0.123 0.334) 0.683 4.312 ( -0.453 -0.159 -0.311) 0.572 4.754 ( -5.552 -0.206 -0.033) 5.556 4.770 ( -5.400 0.153 -0.027) 5.402 5.083 ( 2.654 -0.101 0.075) 2.657 5.089 ( 2.079 0.137 0.033) 2.084 7.251 ( -0.900 0.099 -0.029) 0.906 7.259 ( -0.754 0.370 0.027) 0.840 9.350 ( -0.655 -0.937 -0.174) 1.156 9.361 ( -0.391 0.319 -0.119) 0.518 9.380 ( 0.043 -0.852 0.177) 0.872 9.398 ( -0.355 0.969 -0.189) 1.049 9.474 ( -1.834 -1.301 0.935) 2.435 9.570 ( -0.499 0.499 -0.904) 1.147 ======================= Grid point 24 (18/125) ======================= q-point: ( 0.67 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -2.309 -0.921 -0.092) 2.487 0.798 ( -2.640 -1.565 -0.476) 3.106 0.840 ( -0.303 -1.762 0.729) 1.931 0.967 ( -4.214 -1.056 2.146) 4.845 0.996 ( -5.238 -0.523 -2.717) 5.924 1.057 ( -0.954 2.040 0.315) 2.274 1.135 ( 4.565 2.511 -0.092) 5.211 1.161 ( 2.790 0.300 -0.369) 2.830 1.190 ( 2.709 -2.000 -0.130) 3.369 1.222 ( 1.774 0.571 1.451) 2.361 1.428 ( 2.406 0.256 0.061) 2.420 1.489 ( 2.740 0.238 0.390) 2.778 1.539 ( -1.657 -1.247 0.757) 2.208 1.576 ( 0.094 0.739 -2.378) 2.492 1.728 ( -0.452 0.027 -0.033) 0.454 1.758 ( -1.559 -1.393 0.252) 2.106 1.828 ( -0.327 1.859 1.104) 2.186 1.843 ( -1.008 1.027 0.201) 1.453 1.859 ( 0.506 -4.383 -1.282) 4.595 1.932 ( 1.772 -0.097 0.335) 1.805 1.967 ( 0.034 1.428 0.416) 1.488 2.019 ( -0.402 -0.332 -0.139) 0.540 2.668 ( -18.676 0.901 0.009) 18.698 2.682 ( -20.830 1.000 0.063) 20.854 2.728 ( 0.654 -0.256 0.001) 0.703 2.738 ( -1.063 -0.153 -0.131) 1.082 3.047 ( 17.617 -0.582 0.010) 17.626 3.053 ( 17.011 -0.240 -0.033) 17.013 3.099 ( -0.121 -0.080 0.079) 0.165 3.109 ( -0.498 0.226 -0.045) 0.549 3.185 ( -0.573 -0.712 0.021) 0.914 3.220 ( -0.244 0.236 0.035) 0.342 4.273 ( -0.822 0.113 -0.014) 0.830 4.276 ( -0.415 0.058 0.012) 0.419 4.307 ( 0.254 -0.279 0.148) 0.405 4.316 ( -0.383 0.003 -0.127) 0.404 4.841 ( -3.309 -0.136 -0.003) 3.312 4.853 ( -2.922 0.093 -0.009) 2.923 5.031 ( 2.141 -0.360 0.014) 2.171 5.050 ( 1.807 0.071 0.021) 1.809 7.265 ( -0.509 0.003 -0.008) 0.510 7.270 ( -0.204 0.056 0.024) 0.213 9.354 ( -0.513 -0.599 -0.055) 0.791 9.366 ( 0.211 0.787 -0.029) 0.816 9.373 ( -0.341 -1.460 0.045) 1.500 9.408 ( 0.327 1.293 0.004) 1.334 9.491 ( -0.596 -1.047 0.159) 1.215 9.578 ( -0.374 0.288 -0.138) 0.492 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.921 0.167 0.000) 0.936 0.779 ( 2.519 -0.171 -0.000) 2.524 0.856 ( 2.926 -3.027 -0.000) 4.210 0.954 ( -0.655 -1.727 -0.000) 1.847 1.018 ( 4.989 0.854 0.000) 5.062 1.071 ( -1.885 0.013 0.000) 1.885 1.111 ( 2.251 0.164 -0.000) 2.257 1.148 ( -1.443 -0.534 -0.000) 1.539 1.171 ( -3.536 0.084 0.000) 3.537 1.196 ( 1.544 2.118 0.000) 2.621 1.437 ( -2.559 1.737 0.000) 3.093 1.481 ( -1.410 1.202 0.000) 1.853 1.583 ( -1.222 0.380 0.000) 1.280 1.594 ( -4.380 -2.188 -0.000) 4.897 1.734 ( -0.424 -1.526 -0.000) 1.584 1.762 ( -0.819 -1.879 -0.000) 2.050 1.803 ( 1.138 -4.506 -0.000) 4.648 1.842 ( 0.768 -0.555 -0.000) 0.948 1.856 ( 0.988 3.655 0.000) 3.786 1.918 ( 0.009 0.857 0.000) 0.857 1.974 ( 0.638 1.811 0.000) 1.920 2.007 ( 1.331 -0.581 -0.000) 1.452 2.670 ( 20.723 -1.188 -0.000) 20.757 2.675 ( 16.781 -0.798 -0.000) 16.800 2.729 ( -0.678 0.057 0.000) 0.681 2.746 ( 2.805 0.511 0.000) 2.851 3.047 ( -17.693 0.466 0.000) 17.699 3.054 ( -17.514 0.622 0.000) 17.525 3.100 ( -0.002 -0.563 -0.000) 0.563 3.106 ( 0.942 -0.185 -0.000) 0.960 3.184 ( 0.225 -0.376 -0.000) 0.439 3.217 ( 0.818 0.344 0.000) 0.887 4.274 ( 0.490 -0.238 -0.000) 0.544 4.275 ( 0.737 -0.199 -0.000) 0.763 4.300 ( 0.137 -0.074 -0.000) 0.156 4.321 ( 0.031 0.327 0.000) 0.329 4.841 ( 3.174 -0.122 -0.000) 3.177 4.853 ( 2.982 0.151 -0.000) 2.986 5.030 ( -2.310 -0.296 0.000) 2.329 5.048 ( -1.697 -0.069 0.000) 1.699 7.266 ( 0.452 -0.313 -0.000) 0.550 7.268 ( 0.195 -0.118 -0.000) 0.228 9.360 ( -0.509 -0.368 -0.000) 0.629 9.363 ( 0.566 0.717 0.000) 0.914 9.374 ( -0.614 -0.959 -0.000) 1.139 9.406 ( 1.022 1.674 0.000) 1.961 9.481 ( 0.857 -1.010 -0.000) 1.324 9.587 ( -0.388 0.260 0.000) 0.467 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.160 ( 0.000 0.000 4.865) 4.865 0.163 ( 0.000 0.000 4.568) 4.568 0.422 ( 0.000 0.000 1.048) 1.048 0.506 ( -0.000 -0.000 -5.284) 5.284 0.531 ( 0.000 0.000 19.671) 19.671 0.781 ( 0.000 0.000 3.844) 3.844 0.953 ( -0.000 -0.000 -6.998) 6.998 0.994 ( -0.000 -0.000 -13.047) 13.047 1.108 ( 0.000 0.000 0.500) 0.500 1.113 ( 0.000 0.000 0.591) 0.591 1.564 ( -0.000 -0.000 -0.560) 0.560 1.569 ( 0.000 0.000 3.677) 3.677 1.572 ( -0.000 -0.000 -0.752) 0.752 1.602 ( -0.000 -0.000 -0.309) 0.309 1.648 ( -0.000 -0.000 -4.579) 4.579 1.654 ( -0.000 -0.000 -2.538) 2.538 1.891 ( 0.000 0.000 1.185) 1.185 1.902 ( 0.000 0.000 1.237) 1.237 1.919 ( -0.000 -0.000 -0.517) 0.517 1.941 ( -0.000 -0.000 -1.598) 1.598 2.002 ( 0.000 0.000 0.677) 0.677 2.017 ( -0.000 -0.000 -0.407) 0.407 2.098 ( 0.000 0.000 7.016) 7.016 2.237 ( -0.000 -0.000 -3.390) 3.390 2.837 ( -0.000 -0.000 -0.100) 0.100 2.840 ( -0.000 -0.000 -0.305) 0.305 2.960 ( 0.000 0.000 0.206) 0.206 2.977 ( -0.000 -0.000 -0.949) 0.949 3.038 ( 0.000 0.000 1.525) 1.525 3.091 ( -0.000 -0.000 -2.077) 2.077 3.758 ( 0.000 0.000 0.655) 0.655 3.779 ( -0.000 -0.000 -0.785) 0.785 4.219 ( 0.000 0.000 0.048) 0.048 4.221 ( -0.000 -0.000 -0.117) 0.117 4.270 ( -0.000 -0.000 -0.008) 0.008 4.270 ( -0.000 -0.000 -0.024) 0.024 4.550 ( 0.000 0.000 0.034) 0.034 4.552 ( -0.000 -0.000 -0.121) 0.121 5.122 ( 0.000 0.000 0.231) 0.231 5.129 ( -0.000 -0.000 -0.274) 0.274 7.221 ( -0.000 -0.000 -0.346) 0.346 7.223 ( -0.000 -0.000 -0.487) 0.487 9.255 ( 0.000 0.000 0.381) 0.381 9.272 ( -0.000 -0.000 -0.874) 0.874 9.337 ( 0.000 0.000 1.127) 1.127 9.363 ( -0.000 -0.000 -0.790) 0.790 9.484 ( -0.000 -0.000 -0.051) 0.051 9.487 ( -0.000 -0.000 -0.254) 0.254 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -13.422 -0.599 4.729) 14.243 0.511 ( -12.034 2.084 -1.601) 12.318 0.557 ( -3.366 3.422 8.320) 9.606 0.644 ( -13.621 1.797 1.631) 13.835 0.772 ( -17.409 3.437 3.990) 18.188 0.828 ( -0.136 0.452 -2.776) 2.816 0.942 ( -3.291 -0.195 -5.526) 6.434 0.980 ( -10.691 3.619 -5.348) 12.490 1.139 ( -3.934 -1.944 0.465) 4.413 1.184 ( -5.301 3.567 -0.400) 6.402 1.512 ( 3.288 -2.265 1.415) 4.236 1.531 ( 3.246 -2.750 -0.613) 4.298 1.569 ( 1.465 1.073 -1.437) 2.316 1.582 ( 4.077 -0.019 -3.374) 5.292 1.621 ( -2.588 -0.349 2.689) 3.749 1.670 ( -2.407 0.223 -2.162) 3.243 1.854 ( 4.724 -2.164 0.212) 5.200 1.882 ( 4.219 0.926 0.189) 4.323 1.910 ( -0.901 0.731 0.987) 1.523 1.936 ( -0.325 1.004 -1.598) 1.915 1.998 ( 0.871 -0.469 0.718) 1.223 2.020 ( -0.454 0.771 -0.114) 0.902 2.104 ( 2.004 -1.707 3.886) 4.694 2.159 ( 4.113 -0.343 -0.167) 4.131 2.822 ( 1.384 -0.186 -0.065) 1.398 2.824 ( 1.267 -0.154 -0.289) 1.309 2.969 ( -1.712 -0.550 0.171) 1.806 2.983 ( -1.319 0.570 -0.427) 1.499 3.084 ( -3.281 -0.418 1.119) 3.492 3.113 ( -2.361 0.149 -1.279) 2.689 3.725 ( 4.673 -0.632 -0.287) 4.724 3.738 ( 4.731 0.911 -0.280) 4.827 4.215 ( -0.247 -0.634 0.294) 0.741 4.224 ( -0.416 0.192 0.008) 0.458 4.277 ( -0.704 -0.175 0.018) 0.726 4.282 ( -0.781 0.473 -0.021) 0.914 4.578 ( -3.039 -0.025 -0.052) 3.040 4.580 ( -3.133 0.131 -0.114) 3.138 5.125 ( 0.070 -0.058 -0.026) 0.095 5.131 ( 0.119 0.576 -0.082) 0.594 7.223 ( -0.394 -0.052 -0.261) 0.476 7.225 ( -0.453 0.254 -0.235) 0.570 9.302 ( -2.887 0.009 -0.087) 2.888 9.310 ( -3.410 -0.505 -0.974) 3.582 9.352 ( -0.775 0.846 0.725) 1.357 9.365 ( -0.311 0.625 -0.659) 0.960 9.470 ( 0.303 -2.225 0.190) 2.253 9.510 ( -1.661 1.424 -1.392) 2.593 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -6.833 -1.616 5.902) 9.173 0.651 ( -6.887 -0.815 -1.718) 7.145 0.711 ( -5.697 3.019 1.393) 6.597 0.748 ( -4.114 2.513 -2.718) 5.535 0.847 ( -1.595 0.284 2.552) 3.023 0.928 ( -2.129 3.124 -4.933) 6.215 1.132 ( -8.881 -0.635 1.829) 9.090 1.161 ( -4.076 -0.398 -0.950) 4.204 1.349 ( -2.621 -0.002 0.796) 2.740 1.374 ( -5.451 -0.598 0.615) 5.518 1.443 ( -6.985 3.147 -0.085) 7.661 1.477 ( -4.824 2.070 1.083) 5.360 1.505 ( -0.268 -0.508 -3.129) 3.181 1.561 ( 0.307 1.745 -1.140) 2.107 1.684 ( -3.378 -0.699 1.052) 3.607 1.723 ( -0.963 0.341 -0.614) 1.192 1.732 ( 3.550 -1.819 -0.035) 3.989 1.779 ( 6.951 0.185 -0.230) 6.957 1.933 ( -0.773 -1.134 0.321) 1.409 1.954 ( -1.841 -0.049 0.412) 1.887 1.990 ( 0.494 0.272 -0.136) 0.580 2.030 ( 1.676 2.141 0.499) 2.764 2.068 ( -3.077 -3.428 -0.028) 4.607 2.126 ( -1.901 -0.522 0.678) 2.085 2.789 ( 1.896 -0.181 0.034) 1.905 2.793 ( 1.858 0.019 -0.224) 1.872 3.014 ( -2.952 0.101 -0.009) 2.954 3.025 ( -2.526 0.705 -0.055) 2.623 3.136 ( -2.674 -1.061 0.016) 2.877 3.159 ( -2.401 0.420 0.103) 2.439 3.583 ( 9.947 -0.543 -0.053) 9.962 3.598 ( 10.570 0.200 -0.039) 10.572 4.227 ( -1.198 -0.308 0.106) 1.242 4.239 ( -0.971 0.247 -0.002) 1.002 4.291 ( -0.910 -0.190 0.071) 0.932 4.300 ( -0.723 0.218 -0.057) 0.757 4.654 ( -5.159 -0.206 -0.049) 5.163 4.665 ( -5.440 0.311 -0.041) 5.449 5.116 ( 0.966 0.081 0.002) 0.969 5.121 ( 1.439 0.282 0.025) 1.466 7.234 ( -0.825 0.028 -0.071) 0.828 7.240 ( -0.827 0.452 -0.043) 0.943 9.340 ( -1.332 -0.916 -0.065) 1.618 9.345 ( -1.272 -0.086 -0.069) 1.276 9.377 ( -0.684 1.038 0.007) 1.244 9.381 ( -0.824 0.241 -0.107) 0.865 9.459 ( -1.346 -2.596 0.546) 2.975 9.543 ( -1.184 1.369 -0.921) 2.031 ======================= Grid point 33 (23/125) ======================= q-point: (-0.33 -0.67 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -4.214 -0.401 0.000) 4.233 0.746 ( -3.717 -1.657 -0.000) 4.070 0.838 ( -6.959 0.612 0.000) 6.986 0.862 ( -1.493 -1.151 -0.000) 1.886 0.889 ( -6.971 -0.787 0.000) 7.015 0.990 ( -2.058 5.303 0.000) 5.689 1.198 ( 0.741 0.832 0.000) 1.114 1.221 ( -2.146 -2.259 -0.000) 3.115 1.258 ( 6.414 0.976 0.000) 6.488 1.261 ( 4.901 -2.656 -0.000) 5.574 1.471 ( 0.777 -0.811 -0.000) 1.123 1.551 ( 1.772 1.434 0.000) 2.279 1.568 ( 4.631 -1.113 -0.000) 4.762 1.599 ( 3.258 1.247 0.000) 3.489 1.698 ( -2.068 -0.426 -0.000) 2.111 1.734 ( -1.973 -0.476 -0.000) 2.030 1.760 ( -6.724 3.642 0.000) 7.647 1.792 ( -2.451 1.356 0.000) 2.801 1.921 ( 1.585 -4.176 -0.000) 4.467 1.955 ( -0.201 -0.130 -0.000) 0.240 1.978 ( 1.770 -0.944 -0.000) 2.006 2.003 ( -0.451 0.965 0.000) 1.065 2.288 ( -19.394 0.702 0.000) 19.407 2.300 ( -16.955 0.575 0.000) 16.965 2.753 ( 1.728 -0.213 -0.000) 1.742 2.758 ( 1.784 0.097 -0.000) 1.787 3.066 ( -2.251 0.269 0.000) 2.267 3.076 ( -2.143 0.641 0.000) 2.237 3.169 ( -1.665 -0.958 -0.000) 1.921 3.198 ( -1.364 0.337 0.000) 1.405 3.354 ( 14.294 -0.537 -0.000) 14.304 3.363 ( 14.559 -0.267 -0.000) 14.562 4.251 ( -1.371 -0.011 0.000) 1.371 4.260 ( -1.054 0.267 0.000) 1.087 4.306 ( -0.758 -0.191 -0.000) 0.782 4.310 ( -0.282 -0.091 -0.000) 0.296 4.754 ( -5.582 -0.249 0.000) 5.587 4.770 ( -5.388 0.197 0.000) 5.391 5.083 ( 2.654 -0.136 -0.000) 2.657 5.089 ( 2.062 0.135 -0.000) 2.066 7.251 ( -0.925 0.070 0.000) 0.928 7.259 ( -0.763 0.391 0.000) 0.857 9.349 ( -0.677 -0.972 -0.000) 1.184 9.360 ( -0.412 0.241 0.000) 0.477 9.381 ( 0.034 -0.995 -0.000) 0.996 9.397 ( -0.350 1.301 0.000) 1.347 9.478 ( -1.783 -1.553 -0.000) 2.365 9.565 ( -0.622 0.683 0.000) 0.924 ======================= Grid point 41 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( 0.000 0.000 2.010) 2.010 0.193 ( 0.000 0.000 1.853) 1.853 0.434 ( 0.000 0.000 2.021) 2.021 0.462 ( -0.000 -0.000 -4.214) 4.214 0.703 ( 0.000 0.000 18.690) 18.690 0.827 ( 0.000 0.000 6.155) 6.155 0.861 ( -0.000 -0.000 -16.559) 16.559 0.888 ( -0.000 -0.000 -7.322) 7.322 1.113 ( 0.000 0.000 0.478) 0.478 1.115 ( 0.000 0.000 0.023) 0.023 1.561 ( 0.000 0.000 0.009) 0.009 1.564 ( -0.000 -0.000 -0.711) 0.711 1.601 ( 0.000 0.000 3.425) 3.425 1.604 ( 0.000 0.000 0.842) 0.842 1.618 ( -0.000 -0.000 -2.281) 2.281 1.630 ( -0.000 -0.000 -3.020) 3.020 1.902 ( 0.000 0.000 1.263) 1.263 1.912 ( -0.000 -0.000 -0.961) 0.961 1.914 ( 0.000 0.000 1.392) 1.392 1.927 ( -0.000 -0.000 -1.564) 1.564 2.008 ( 0.000 0.000 0.626) 0.626 2.013 ( -0.000 -0.000 -0.532) 0.532 2.155 ( 0.000 0.000 5.764) 5.764 2.201 ( -0.000 -0.000 -4.557) 4.557 2.837 ( 0.000 0.000 0.028) 0.028 2.838 ( -0.000 -0.000 -0.188) 0.188 2.964 ( 0.000 0.000 0.514) 0.514 2.969 ( -0.000 -0.000 -0.806) 0.806 3.053 ( 0.000 0.000 1.941) 1.941 3.071 ( -0.000 -0.000 -2.158) 2.158 3.764 ( 0.000 0.000 0.790) 0.790 3.772 ( -0.000 -0.000 -0.842) 0.842 4.219 ( 0.000 0.000 0.078) 0.078 4.220 ( -0.000 -0.000 -0.105) 0.105 4.270 ( -0.000 -0.000 -0.015) 0.015 4.270 ( 0.000 0.000 0.002) 0.002 4.550 ( 0.000 0.000 0.071) 0.071 4.551 ( -0.000 -0.000 -0.105) 0.105 5.124 ( 0.000 0.000 0.278) 0.278 5.127 ( -0.000 -0.000 -0.295) 0.295 7.219 ( -0.000 -0.000 -0.084) 0.084 7.219 ( -0.000 -0.000 -0.245) 0.245 9.259 ( 0.000 0.000 0.545) 0.545 9.265 ( -0.000 -0.000 -0.717) 0.717 9.346 ( 0.000 0.000 1.063) 1.063 9.355 ( -0.000 -0.000 -0.953) 0.953 9.484 ( 0.000 0.000 0.055) 0.055 9.485 ( -0.000 -0.000 -0.175) 0.175 ======================= Grid point 42 (25/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -13.976 -1.890 -0.000) 14.103 0.488 ( -10.451 4.683 0.000) 11.453 0.628 ( -11.409 1.811 0.000) 11.552 0.631 ( -9.134 1.733 0.000) 9.297 0.794 ( -6.016 0.757 0.000) 6.063 0.818 ( -2.458 2.049 0.000) 3.200 0.912 ( -7.703 -0.457 0.000) 7.717 0.949 ( -12.452 5.171 0.000) 13.483 1.142 ( -4.089 -1.689 -0.000) 4.424 1.183 ( -5.578 3.399 0.000) 6.532 1.520 ( 2.281 -3.539 -0.000) 4.210 1.529 ( 3.030 -1.748 -0.000) 3.498 1.554 ( 4.592 -0.207 -0.000) 4.596 1.571 ( 2.655 1.439 0.000) 3.020 1.639 ( -2.475 -1.028 -0.000) 2.680 1.654 ( -2.738 0.981 0.000) 2.908 1.855 ( 4.802 -2.296 -0.000) 5.322 1.882 ( 4.450 1.200 0.000) 4.609 1.919 ( -0.764 0.416 0.000) 0.870 1.925 ( -0.649 1.324 0.000) 1.474 2.001 ( 0.700 -0.885 -0.000) 1.129 2.019 ( -0.417 1.144 0.000) 1.217 2.126 ( 3.334 -3.038 -0.000) 4.510 2.155 ( 2.663 0.710 0.000) 2.756 2.822 ( 1.367 -0.244 -0.000) 1.388 2.823 ( 1.305 -0.117 -0.000) 1.311 2.970 ( -1.635 -0.657 -0.000) 1.763 2.981 ( -1.453 0.630 0.000) 1.583 3.091 ( -2.873 -0.939 -0.000) 3.023 3.104 ( -2.914 0.698 0.000) 2.996 3.723 ( 4.744 -0.594 -0.000) 4.781 3.736 ( 4.672 0.962 0.000) 4.770 4.216 ( -0.307 -0.657 -0.000) 0.725 4.224 ( -0.387 0.217 0.000) 0.444 4.277 ( -0.731 -0.195 -0.000) 0.756 4.282 ( -0.795 0.456 0.000) 0.916 4.577 ( -2.929 -0.024 0.000) 2.929 4.579 ( -3.191 0.150 0.000) 3.194 5.125 ( 0.104 -0.059 -0.000) 0.120 5.131 ( 0.072 0.608 0.000) 0.612 7.222 ( -0.405 -0.050 0.000) 0.408 7.224 ( -0.488 0.282 0.000) 0.564 9.303 ( -3.338 -0.190 0.000) 3.343 9.304 ( -3.077 -0.120 0.000) 3.079 9.358 ( -0.450 0.662 0.000) 0.801 9.359 ( -0.607 0.720 0.000) 0.941 9.471 ( 0.127 -2.355 -0.000) 2.359 9.504 ( -1.235 1.595 0.000) 2.017 ======================= Grid point 86 (26/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.103 ( -0.000 10.080 0.000) 10.080 0.239 ( -0.000 15.107 0.000) 15.107 0.331 ( -0.000 20.987 0.000) 20.987 0.472 ( -0.000 8.264 0.000) 8.264 0.666 ( -0.000 8.280 0.000) 8.280 0.765 ( -0.000 1.671 0.000) 1.671 1.022 ( 0.000 -2.071 -0.000) 2.071 1.134 ( -0.000 0.596 0.000) 0.596 1.144 ( 0.000 -2.489 -0.000) 2.489 1.174 ( -0.000 0.940 0.000) 0.940 1.495 ( 0.000 -1.063 -0.000) 1.063 1.499 ( 0.000 -1.822 -0.000) 1.822 1.571 ( 0.000 -0.254 -0.000) 0.254 1.608 ( 0.000 -1.748 -0.000) 1.748 1.691 ( 0.000 -0.240 -0.000) 0.240 1.824 ( 0.000 -1.777 -0.000) 1.777 1.834 ( 0.000 -3.756 -0.000) 3.756 1.903 ( -0.000 2.132 0.000) 2.132 1.905 ( -0.000 1.141 0.000) 1.141 1.928 ( 0.000 -0.814 -0.000) 0.814 1.930 ( 0.000 -2.127 -0.000) 2.127 1.992 ( -0.000 0.372 0.000) 0.372 2.021 ( 0.000 -0.327 -0.000) 0.327 2.320 ( 0.000 -2.210 -0.000) 2.210 2.838 ( 0.000 -0.188 -0.000) 0.188 2.847 ( -0.000 0.063 0.000) 0.063 2.941 ( 0.000 -0.493 -0.000) 0.493 2.985 ( 0.000 -1.157 -0.000) 1.157 3.034 ( -0.000 0.425 0.000) 0.425 3.121 ( 0.000 -0.325 -0.000) 0.325 3.755 ( -0.000 0.757 0.000) 0.757 3.790 ( 0.000 -0.118 -0.000) 0.118 4.186 ( 0.000 -0.045 -0.000) 0.045 4.215 ( 0.000 -0.411 -0.000) 0.411 4.272 ( -0.000 0.181 0.000) 0.181 4.299 ( 0.000 -0.113 -0.000) 0.113 4.550 ( -0.000 0.053 0.000) 0.053 4.554 ( 0.000 -0.002 -0.000) 0.002 5.124 ( -0.000 0.591 0.000) 0.591 5.135 ( -0.000 0.155 0.000) 0.155 7.228 ( 0.000 -0.083 -0.000) 0.083 7.232 ( 0.000 -0.094 -0.000) 0.094 9.255 ( -0.000 0.534 0.000) 0.534 9.301 ( -0.000 0.846 0.000) 0.846 9.353 ( 0.000 -0.895 -0.000) 0.895 9.385 ( -0.000 1.293 0.000) 1.293 9.474 ( 0.000 -1.447 -0.000) 1.447 9.526 ( 0.000 -0.116 -0.000) 0.116 ======================= Grid point 87 (27/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( -7.935 9.344 1.992) 12.419 0.418 ( -8.349 8.968 1.921) 12.402 0.581 ( -4.044 3.995 1.121) 5.794 0.754 ( -7.811 6.821 -3.132) 10.833 0.783 ( -17.111 8.468 2.612) 19.270 0.979 ( -4.191 0.756 -5.007) 6.573 1.022 ( -10.777 2.223 3.859) 11.661 1.067 ( -3.185 0.850 0.079) 3.297 1.126 ( 0.801 0.642 -2.021) 2.267 1.229 ( -1.956 0.172 1.052) 2.228 1.458 ( 2.111 -1.957 0.124) 2.882 1.524 ( -0.225 -4.158 -0.659) 4.216 1.550 ( -0.366 -0.982 0.151) 1.059 1.606 ( -1.385 0.330 -0.675) 1.576 1.699 ( -1.003 -0.636 -0.430) 1.263 1.749 ( 2.665 -2.841 -5.007) 6.344 1.797 ( 3.182 -1.284 2.002) 3.973 1.889 ( 2.003 0.211 -1.042) 2.268 1.905 ( 0.315 -0.543 0.372) 0.730 1.917 ( 0.898 -0.509 2.516) 2.719 1.939 ( -1.046 -0.531 0.810) 1.426 2.000 ( -0.360 -0.669 1.776) 1.932 2.020 ( -0.777 -0.695 0.282) 1.080 2.152 ( 9.301 2.164 -0.522) 9.564 2.823 ( 1.373 -0.124 -0.067) 1.380 2.834 ( 1.198 0.005 -0.211) 1.216 2.961 ( -2.479 -0.355 -0.014) 2.504 3.004 ( -1.710 0.004 -0.281) 1.733 3.064 ( -3.242 -0.010 0.121) 3.245 3.126 ( -0.931 -0.380 -0.049) 1.007 3.733 ( 5.151 -0.358 -0.754) 5.219 3.741 ( 4.804 -0.526 0.638) 4.874 4.196 ( -0.969 -0.025 0.203) 0.991 4.222 ( -0.859 -0.372 0.003) 0.936 4.278 ( -0.417 0.206 -0.010) 0.465 4.293 ( -0.034 0.430 -0.072) 0.437 4.580 ( -3.374 -0.068 -0.059) 3.375 4.583 ( -3.014 0.048 0.009) 3.014 5.132 ( 0.169 0.289 -0.288) 0.441 5.135 ( 0.293 0.233 0.349) 0.511 7.231 ( -0.411 -0.061 -0.172) 0.449 7.233 ( -0.288 0.007 0.010) 0.288 9.302 ( -2.802 -0.823 -0.016) 2.920 9.322 ( -1.407 -0.554 -0.340) 1.550 9.357 ( -1.309 0.407 0.078) 1.373 9.394 ( 0.283 1.614 -0.205) 1.651 9.429 ( 1.680 -2.028 0.211) 2.641 9.572 ( -2.468 -1.500 -0.992) 3.054 ======================= Grid point 88 (28/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -8.632 6.943 0.624) 11.095 0.618 ( -6.351 2.916 2.419) 7.395 0.676 ( -3.419 1.237 2.504) 4.415 0.865 ( -4.269 1.680 -5.912) 7.483 0.930 ( 0.121 2.548 -0.786) 2.669 1.030 ( -4.406 0.117 4.011) 5.959 1.088 ( 2.123 1.096 -2.500) 3.458 1.167 ( -2.512 -1.287 -0.109) 2.825 1.290 ( -0.395 -0.837 1.051) 1.400 1.325 ( -2.050 -0.139 1.933) 2.821 1.472 ( -3.309 -1.054 -1.135) 3.654 1.524 ( -10.366 3.018 0.590) 10.812 1.581 ( -2.292 1.467 -0.793) 2.834 1.634 ( -0.380 -3.335 -1.753) 3.787 1.665 ( -2.931 1.001 0.846) 3.210 1.730 ( -0.605 -0.411 0.129) 0.743 1.754 ( 0.996 1.429 -2.472) 3.024 1.817 ( 3.886 0.356 -3.856) 5.486 1.887 ( 1.493 -1.142 2.466) 3.101 1.908 ( -0.528 0.599 1.257) 1.489 1.974 ( 0.293 -1.087 1.740) 2.072 2.014 ( 1.909 -3.728 0.721) 4.250 2.041 ( -4.199 1.835 0.239) 4.588 2.078 ( -6.082 -0.322 0.324) 6.099 2.790 ( 2.010 0.043 -0.093) 2.012 2.803 ( 1.975 -0.049 -0.235) 1.989 3.017 ( -3.353 0.156 -0.005) 3.357 3.043 ( -2.215 0.703 -0.257) 2.339 3.127 ( -3.277 -0.625 -0.369) 3.357 3.149 ( -1.677 -0.125 0.619) 1.792 3.581 ( 10.460 -0.297 -0.212) 10.466 3.595 ( 10.515 -0.454 0.127) 10.526 4.221 ( -1.606 0.137 0.069) 1.613 4.239 ( -1.191 -0.067 0.033) 1.193 4.289 ( -0.548 0.111 0.014) 0.559 4.303 ( -0.651 -0.022 -0.020) 0.652 4.658 ( -4.983 0.083 -0.220) 4.988 4.666 ( -5.446 -0.094 0.141) 5.448 5.119 ( 1.342 0.188 -0.009) 1.355 5.123 ( 1.382 0.271 0.065) 1.410 7.241 ( -0.731 0.132 -0.280) 0.794 7.245 ( -0.756 0.240 0.194) 0.817 9.331 ( -1.003 -1.618 -0.320) 1.930 9.341 ( -2.120 -0.685 -0.052) 2.228 9.383 ( 0.516 -0.701 -0.627) 1.073 9.401 ( 0.562 0.276 0.992) 1.173 9.412 ( -2.174 1.717 0.164) 2.776 9.585 ( -0.737 -1.135 -0.910) 1.631 ======================= Grid point 89 (29/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -4.580 -1.463 -1.613) 5.072 0.750 ( -3.054 -0.557 3.017) 4.329 0.759 ( -6.101 3.634 0.244) 7.105 0.910 ( -3.363 0.461 -4.239) 5.431 0.968 ( -2.497 -0.428 -3.878) 4.632 1.052 ( 2.034 2.234 1.195) 3.249 1.108 ( -2.438 -1.464 4.696) 5.490 1.178 ( -0.389 -1.633 1.987) 2.601 1.243 ( 3.676 1.991 0.138) 4.183 1.271 ( 4.507 2.341 1.166) 5.211 1.464 ( 3.185 -2.223 -1.020) 4.015 1.512 ( 1.903 -2.105 -0.021) 2.837 1.609 ( 1.890 -0.410 -0.029) 1.935 1.668 ( 3.355 1.050 -2.141) 4.116 1.735 ( -1.001 1.335 -3.148) 3.563 1.768 ( -3.067 -0.692 0.112) 3.147 1.775 ( -0.554 0.385 -2.275) 2.373 1.812 ( -3.944 3.318 1.341) 5.326 1.849 ( 0.888 -2.066 0.686) 2.351 1.934 ( 1.700 -1.743 0.060) 2.435 1.951 ( -0.454 -0.057 1.620) 1.684 1.984 ( -1.795 0.556 1.792) 2.596 2.304 ( -19.421 0.925 -0.043) 19.443 2.305 ( -18.620 0.583 0.120) 18.629 2.753 ( 1.857 0.049 -0.126) 1.861 2.764 ( 1.976 -0.037 -0.125) 1.981 3.074 ( -2.315 0.365 -0.201) 2.352 3.085 ( -1.692 0.625 0.003) 1.804 3.163 ( -1.644 -0.494 -0.618) 1.824 3.188 ( -1.777 -0.120 0.836) 1.967 3.347 ( 14.506 -0.289 -0.061) 14.509 3.358 ( 14.564 -0.439 -0.032) 14.571 4.253 ( -1.560 0.240 -0.103) 1.581 4.262 ( -1.110 0.177 0.088) 1.127 4.298 ( -0.359 0.028 0.149) 0.390 4.312 ( -0.475 -0.323 -0.123) 0.587 4.756 ( -5.399 0.068 -0.229) 5.404 4.769 ( -5.448 -0.095 0.146) 5.450 5.082 ( 2.697 0.108 -0.067) 2.700 5.091 ( 2.240 0.123 0.016) 2.244 7.256 ( -0.802 0.240 -0.226) 0.868 7.262 ( -0.640 0.317 0.180) 0.736 9.337 ( -1.029 -1.302 -0.291) 1.685 9.356 ( -0.790 -2.145 -0.725) 2.398 9.376 ( -0.047 0.991 0.202) 1.012 9.403 ( 0.200 0.794 1.158) 1.418 9.464 ( -1.819 1.329 -0.100) 2.255 9.581 ( -0.246 -0.960 -0.600) 1.159 ======================= Grid point 90 (30/125) ======================= q-point: ( 0.56 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -4.759 -1.682 -0.661) 5.091 0.795 ( -0.967 -0.713 1.675) 2.061 0.825 ( -1.222 -0.920 -5.143) 5.366 0.962 ( -2.001 1.182 -1.392) 2.709 1.008 ( -4.717 -1.709 -1.532) 5.245 1.040 ( 0.931 -1.372 1.773) 2.428 1.150 ( -0.199 -0.252 4.321) 4.333 1.176 ( 0.795 -0.993 0.578) 1.397 1.203 ( 3.377 4.771 -0.429) 5.861 1.217 ( 4.063 4.355 0.236) 5.961 1.403 ( 0.726 -0.916 1.141) 1.633 1.480 ( 0.315 -0.646 0.351) 0.800 1.552 ( 2.397 -0.039 -2.102) 3.188 1.610 ( 1.597 -0.747 -0.911) 1.984 1.738 ( 1.359 -0.900 -0.445) 1.690 1.751 ( -1.065 -1.627 -2.567) 3.221 1.792 ( -0.578 -0.482 -0.699) 1.027 1.836 ( -0.853 -0.966 -0.697) 1.465 1.889 ( -0.739 2.276 0.917) 2.562 1.920 ( -0.274 0.591 0.008) 0.651 1.960 ( 0.140 0.196 1.980) 1.994 2.018 ( -0.857 -0.117 0.196) 0.887 2.683 ( -19.223 0.840 -0.149) 19.242 2.693 ( -19.292 0.727 0.177) 19.306 2.728 ( -0.161 0.110 -0.090) 0.215 2.737 ( -0.471 -0.273 -0.077) 0.550 3.039 ( 17.865 -0.459 -0.088) 17.871 3.048 ( 17.624 -0.326 0.211) 17.628 3.100 ( -0.324 0.069 -0.342) 0.476 3.112 ( -0.239 0.180 0.061) 0.305 3.183 ( -0.700 -0.143 -0.599) 0.933 3.218 ( -0.573 -0.011 0.448) 0.727 4.276 ( -0.621 0.123 -0.107) 0.642 4.277 ( -0.239 0.019 -0.051) 0.245 4.303 ( -0.074 0.041 0.019) 0.087 4.316 ( -0.402 -0.134 0.023) 0.425 4.841 ( -3.233 0.024 -0.153) 3.236 4.852 ( -2.993 -0.053 0.110) 2.995 5.031 ( 2.182 0.045 -0.364) 2.213 5.049 ( 1.827 0.008 0.068) 1.828 7.268 ( -0.310 0.120 -0.163) 0.370 7.271 ( -0.018 0.109 -0.017) 0.111 9.346 ( -0.884 -0.804 -0.249) 1.220 9.353 ( -0.595 -1.247 -0.356) 1.427 9.381 ( 0.169 0.813 -0.202) 0.855 9.413 ( 0.148 0.682 1.301) 1.476 9.493 ( -0.485 0.922 -0.773) 1.297 9.577 ( -0.253 -0.733 -0.019) 0.776 ======================= Grid point 91 (31/125) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 2.285 0.091 -0.588) 2.362 0.798 ( 0.321 -0.259 -1.458) 1.515 0.817 ( 1.677 -1.178 -1.553) 2.571 0.933 ( 0.704 -1.234 -0.451) 1.491 1.011 ( 3.923 -1.123 -0.907) 4.180 1.077 ( 5.965 1.182 1.052) 6.171 1.085 ( -5.108 -1.907 -0.491) 5.474 1.173 ( -1.696 0.316 1.803) 2.496 1.216 ( 0.287 3.177 -2.110) 3.825 1.231 ( -1.785 2.545 -0.181) 3.114 1.436 ( -3.284 0.962 1.966) 3.947 1.505 ( -2.162 1.001 0.447) 2.424 1.532 ( -1.910 -0.935 0.496) 2.184 1.592 ( -1.134 -2.381 0.643) 2.715 1.703 ( 1.170 -1.983 -1.694) 2.859 1.752 ( -0.672 -0.273 -0.963) 1.205 1.776 ( 1.450 -0.637 -1.377) 2.098 1.829 ( 0.831 -1.019 0.110) 1.319 1.908 ( -0.149 1.276 -0.997) 1.626 1.929 ( -0.000 0.063 -0.507) 0.511 1.973 ( -0.091 1.768 1.711) 2.462 2.018 ( 0.457 -0.247 -0.511) 0.729 2.654 ( 20.494 -0.735 -0.158) 20.508 2.667 ( 17.050 -0.510 -0.044) 17.058 2.731 ( -0.417 0.167 -0.054) 0.452 2.748 ( 3.051 0.248 0.474) 3.098 3.053 ( -17.258 0.333 -0.019) 17.261 3.061 ( -17.219 0.338 0.221) 17.224 3.093 ( 0.540 -0.296 -0.303) 0.687 3.106 ( 0.586 -0.153 -0.122) 0.618 3.186 ( 0.068 0.030 -0.610) 0.615 3.220 ( 0.570 0.099 0.190) 0.609 4.271 ( 0.773 -0.100 -0.025) 0.780 4.273 ( 0.700 -0.188 -0.111) 0.734 4.303 ( -0.014 0.055 -0.351) 0.355 4.323 ( -0.024 0.190 0.277) 0.337 4.841 ( 3.212 -0.001 -0.139) 3.214 4.854 ( 2.933 0.026 0.165) 2.937 5.031 ( -2.277 0.014 -0.394) 2.311 5.047 ( -1.675 -0.087 -0.047) 1.678 7.263 ( 0.633 -0.119 -0.139) 0.659 7.267 ( 0.352 -0.067 -0.101) 0.373 9.354 ( -0.517 -0.451 -0.111) 0.694 9.355 ( -0.508 -0.638 -0.152) 0.829 9.382 ( 0.236 0.644 -0.227) 0.722 9.417 ( 0.531 0.662 1.202) 1.471 9.489 ( 0.913 0.585 -1.604) 1.936 9.580 ( -0.334 -0.435 0.712) 0.899 ======================= Grid point 92 (32/125) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 11.488 -1.569 -3.364) 12.073 0.720 ( 2.693 -0.073 -0.184) 2.700 0.768 ( 3.482 0.326 -3.360) 4.849 0.882 ( 5.909 -0.721 0.109) 5.954 0.951 ( 5.034 -0.818 3.605) 6.245 1.011 ( -1.428 -0.002 2.647) 3.008 1.116 ( 1.038 -0.258 -4.415) 4.542 1.204 ( -0.328 0.231 -0.170) 0.436 1.261 ( -5.606 1.512 -1.163) 5.922 1.331 ( -6.377 2.665 0.808) 6.959 1.523 ( -2.170 0.139 2.426) 3.258 1.540 ( -0.195 -0.083 1.668) 1.681 1.577 ( 3.497 -1.767 0.633) 3.969 1.640 ( -5.611 -0.933 1.480) 5.878 1.648 ( -1.951 -0.294 -2.127) 2.901 1.715 ( 3.426 -0.646 -1.454) 3.778 1.762 ( 0.699 -0.496 1.433) 1.670 1.784 ( 3.242 -0.193 0.424) 3.275 1.907 ( 0.628 -0.261 -2.176) 2.280 1.912 ( 0.516 -0.291 -1.701) 1.801 1.995 ( 0.439 0.409 -0.617) 0.861 2.006 ( -0.121 1.374 0.517) 1.474 2.263 ( 18.105 -0.866 -0.456) 18.131 2.315 ( 17.387 0.509 0.599) 17.405 2.754 ( -1.777 0.039 0.004) 1.777 2.766 ( -1.906 0.050 0.293) 1.929 3.061 ( 1.962 -0.387 -0.099) 2.002 3.068 ( 2.465 -0.161 -0.018) 2.471 3.172 ( 0.926 0.058 -0.407) 1.013 3.195 ( 2.135 0.143 0.064) 2.141 3.356 ( -14.478 0.146 -0.166) 14.479 3.368 ( -14.599 0.118 0.076) 14.600 4.248 ( 1.454 -0.062 -0.179) 1.466 4.256 ( 0.968 -0.128 -0.031) 0.977 4.299 ( 0.440 0.019 -0.242) 0.502 4.319 ( 0.709 0.095 0.211) 0.746 4.755 ( 5.370 -0.004 -0.124) 5.372 4.771 ( 5.465 0.037 0.212) 5.470 5.080 ( -2.623 -0.025 -0.195) 2.630 5.086 ( -2.126 -0.078 -0.066) 2.128 7.248 ( 0.730 -0.138 -0.083) 0.747 7.256 ( 0.765 -0.068 0.065) 0.771 9.353 ( 0.321 -0.216 -0.056) 0.391 9.359 ( -0.328 -0.285 0.051) 0.437 9.380 ( 0.353 0.392 -0.125) 0.542 9.414 ( 1.046 0.167 1.328) 1.699 9.461 ( 1.236 0.765 -2.086) 2.543 9.587 ( -0.225 -0.216 1.323) 1.359 ======================= Grid point 93 (33/125) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 11.533 -0.000 -6.251) 13.118 0.584 ( 12.658 -0.000 -0.941) 12.693 0.665 ( 4.379 -0.000 -2.709) 5.149 0.819 ( 9.166 0.000 3.987) 9.996 0.875 ( -4.237 0.000 1.603) 4.530 1.025 ( 8.466 -0.000 -3.877) 9.311 1.071 ( -1.917 0.000 3.560) 4.043 1.207 ( 0.103 0.000 0.611) 0.620 1.302 ( 17.063 -0.000 -1.448) 17.124 1.378 ( 20.424 0.000 0.244) 20.426 1.386 ( -6.191 -0.000 -0.807) 6.243 1.480 ( -6.396 0.000 0.389) 6.407 1.575 ( -1.313 0.000 1.664) 2.120 1.632 ( 3.794 -0.000 -0.644) 3.849 1.700 ( -0.362 0.000 5.811) 5.822 1.741 ( 0.675 0.000 0.073) 0.679 1.751 ( -6.564 -0.000 -0.450) 6.580 1.798 ( -3.209 0.000 2.362) 3.984 1.883 ( -2.444 -0.000 -5.452) 5.974 1.909 ( -0.494 -0.000 -1.076) 1.184 1.975 ( 0.885 0.000 0.118) 0.893 2.025 ( -0.354 0.000 0.349) 0.497 2.059 ( 4.315 -0.000 -1.043) 4.439 2.103 ( 6.018 -0.000 -0.938) 6.091 2.791 ( -2.103 0.000 0.062) 2.104 2.805 ( -1.925 0.000 0.311) 1.950 3.015 ( 2.952 0.000 -0.003) 2.952 3.019 ( 2.161 0.000 0.033) 2.161 3.141 ( 3.632 -0.000 -0.127) 3.635 3.150 ( 1.174 -0.000 -0.187) 1.188 3.588 ( -10.508 -0.000 -0.018) 10.508 3.604 ( -10.731 0.000 0.284) 10.734 4.219 ( 1.389 -0.000 -0.325) 1.427 4.237 ( 0.929 0.000 0.019) 0.929 4.287 ( 0.666 -0.000 -0.128) 0.679 4.302 ( 1.187 0.000 0.085) 1.190 4.657 ( 4.939 0.000 0.005) 4.939 4.669 ( 5.427 0.000 0.256) 5.433 5.117 ( -1.324 -0.000 -0.019) 1.324 5.117 ( -1.245 -0.000 -0.009) 1.245 7.237 ( 0.396 0.000 0.103) 0.409 7.242 ( 0.725 0.000 0.168) 0.744 9.338 ( 1.054 -0.000 -0.073) 1.057 9.362 ( -0.008 0.000 0.290) 0.290 9.375 ( 0.272 0.000 0.066) 0.280 9.376 ( 3.086 0.000 0.105) 3.087 9.458 ( -0.836 -0.000 -0.591) 1.024 9.596 ( 0.028 0.000 1.944) 1.944 ======================= Grid point 94 (34/125) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 12.883 0.000 0.000) 12.883 0.580 ( 12.933 0.000 0.000) 12.933 0.653 ( 4.428 0.000 0.000) 4.428 0.839 ( 9.150 0.000 0.000) 9.150 0.882 ( -4.718 -0.000 -0.000) 4.718 1.005 ( 8.275 0.000 0.000) 8.275 1.087 ( -2.683 -0.000 -0.000) 2.683 1.210 ( -0.256 -0.000 -0.000) 0.256 1.295 ( 17.886 0.000 0.000) 17.886 1.379 ( 20.963 0.000 0.000) 20.963 1.382 ( -6.316 -0.000 -0.000) 6.316 1.481 ( -6.523 -0.000 -0.000) 6.523 1.582 ( -0.774 -0.000 -0.000) 0.774 1.631 ( 3.136 0.000 0.000) 3.136 1.732 ( 1.064 0.000 0.000) 1.064 1.737 ( -2.842 -0.000 -0.000) 2.842 1.748 ( -6.635 -0.000 -0.000) 6.635 1.824 ( 1.438 0.000 0.000) 1.438 1.841 ( -5.256 -0.000 -0.000) 5.256 1.904 ( -0.954 -0.000 -0.000) 0.954 1.975 ( 0.571 0.000 0.000) 0.571 2.026 ( -0.316 -0.000 -0.000) 0.316 2.055 ( 4.650 0.000 0.000) 4.650 2.098 ( 6.923 0.000 0.000) 6.923 2.792 ( -2.117 -0.000 -0.000) 2.117 2.806 ( -1.946 -0.000 -0.000) 1.946 3.015 ( 2.960 0.000 0.000) 2.960 3.019 ( 2.125 0.000 0.000) 2.125 3.140 ( 3.673 0.000 0.000) 3.673 3.149 ( 1.128 0.000 0.000) 1.128 3.588 ( -10.545 -0.000 -0.000) 10.545 3.605 ( -10.844 -0.000 -0.000) 10.844 4.218 ( 1.466 0.000 0.000) 1.466 4.237 ( 0.925 0.000 0.000) 0.925 4.286 ( 0.659 0.000 0.000) 0.659 4.302 ( 1.206 0.000 0.000) 1.206 4.657 ( 4.910 0.000 0.000) 4.910 4.671 ( 5.398 0.000 0.000) 5.398 5.116 ( -1.383 -0.000 -0.000) 1.383 5.117 ( -1.240 -0.000 -0.000) 1.240 7.238 ( 0.348 0.000 0.000) 0.348 7.242 ( 0.699 0.000 0.000) 0.699 9.338 ( 1.026 0.000 0.000) 1.026 9.364 ( -0.119 -0.000 -0.000) 0.119 9.376 ( 0.227 0.000 0.000) 0.227 9.377 ( 3.289 0.000 0.000) 3.289 9.455 ( -1.058 -0.000 -0.000) 1.058 9.605 ( -0.374 -0.000 -0.000) 0.374 ======================= Grid point 96 (35/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.159 ( 0.000 6.327 9.629) 11.521 0.248 ( -0.000 14.730 1.836) 14.844 0.346 ( -0.000 18.308 3.399) 18.621 0.489 ( 0.000 9.407 3.891) 10.180 0.653 ( -0.000 8.090 -2.932) 8.605 0.765 ( -0.000 1.638 0.041) 1.639 1.021 ( -0.000 -1.561 -0.347) 1.599 1.104 ( -0.000 -1.842 -5.024) 5.351 1.147 ( -0.000 0.106 -0.703) 0.711 1.161 ( -0.000 2.755 -2.105) 3.467 1.504 ( 0.000 -1.273 1.913) 2.297 1.505 ( 0.000 -3.458 1.127) 3.637 1.571 ( 0.000 -0.014 0.066) 0.067 1.597 ( -0.000 -2.037 -1.767) 2.697 1.687 ( -0.000 -0.160 -0.880) 0.895 1.758 ( -0.000 -1.890 -8.511) 8.718 1.867 ( 0.000 -1.988 2.260) 3.010 1.893 ( -0.000 1.542 -0.122) 1.547 1.916 ( -0.000 -1.315 -0.667) 1.475 1.945 ( 0.000 -0.424 5.865) 5.881 1.956 ( 0.000 -1.434 2.366) 2.767 1.998 ( 0.000 0.373 1.449) 1.496 2.025 ( 0.000 0.088 1.179) 1.182 2.296 ( -0.000 -1.056 -4.404) 4.529 2.838 ( -0.000 -0.198 -0.125) 0.234 2.844 ( -0.000 0.033 -0.515) 0.516 2.943 ( 0.000 -0.837 0.387) 0.922 2.982 ( -0.000 -1.144 -0.488) 1.244 3.033 ( -0.000 0.711 0.033) 0.711 3.117 ( -0.000 -0.254 -0.787) 0.827 3.756 ( 0.000 0.765 0.260) 0.808 3.791 ( 0.000 -0.042 0.096) 0.105 4.193 ( 0.000 -0.751 1.183) 1.402 4.215 ( 0.000 -0.422 -0.015) 0.422 4.272 ( -0.000 0.192 0.006) 0.192 4.294 ( -0.000 0.429 -1.015) 1.102 4.550 ( -0.000 0.053 -0.002) 0.053 4.554 ( -0.000 0.001 -0.057) 0.057 5.124 ( -0.000 0.597 0.100) 0.606 5.136 ( 0.000 0.196 0.167) 0.258 7.227 ( -0.000 -0.052 -0.229) 0.235 7.231 ( -0.000 -0.064 -0.288) 0.295 9.255 ( 0.000 0.543 0.130) 0.558 9.298 ( -0.000 0.812 -0.699) 1.072 9.347 ( -0.000 0.194 -0.747) 0.772 9.384 ( -0.000 1.272 -0.320) 1.311 9.474 ( 0.000 -1.398 -0.001) 1.398 9.513 ( -0.000 0.812 -2.143) 2.292 ======================= Grid point 97 (36/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( -7.601 6.777 4.583) 11.167 0.452 ( -7.956 8.490 5.396) 12.826 0.598 ( -4.270 4.181 2.608) 6.520 0.724 ( -6.151 6.711 -3.466) 9.741 0.807 ( -18.015 7.929 2.619) 19.856 0.932 ( -4.709 1.540 -5.394) 7.324 1.045 ( -4.604 0.465 -0.685) 4.677 1.060 ( -7.615 2.585 -1.006) 8.104 1.112 ( -0.664 0.657 0.099) 0.940 1.239 ( -3.072 1.348 0.791) 3.447 1.460 ( 1.838 -2.104 0.336) 2.814 1.510 ( 1.805 -3.844 -2.270) 4.815 1.555 ( -1.644 -2.040 1.038) 2.819 1.600 ( -1.404 1.034 -0.329) 1.775 1.682 ( 1.260 -1.038 -5.460) 5.699 1.703 ( -1.153 -0.379 -2.656) 2.920 1.809 ( 4.442 -2.348 0.792) 5.087 1.883 ( 2.895 0.037 -0.284) 2.910 1.909 ( -0.115 0.294 0.605) 0.682 1.944 ( 1.601 -0.794 1.302) 2.211 1.951 ( -0.508 -1.732 3.369) 3.822 2.015 ( -1.928 -0.734 0.652) 2.164 2.035 ( 0.628 0.011 3.259) 3.319 2.145 ( 8.272 0.792 -1.009) 8.371 2.822 ( 1.359 -0.131 -0.174) 1.376 2.831 ( 1.134 0.029 -0.493) 1.237 2.961 ( -2.458 -0.364 -0.010) 2.485 2.999 ( -1.876 -0.058 -0.671) 1.993 3.067 ( -3.087 -0.035 0.373) 3.109 3.125 ( -1.231 -0.316 -0.260) 1.297 3.727 ( 4.962 -0.260 -0.644) 5.011 3.746 ( 5.121 -0.205 0.389) 5.140 4.199 ( -0.820 -0.215 0.447) 0.958 4.222 ( -0.868 -0.380 0.008) 0.947 4.278 ( -0.409 0.207 -0.025) 0.459 4.292 ( -0.218 0.409 -0.166) 0.493 4.579 ( -3.198 0.013 -0.090) 3.199 4.583 ( -3.135 0.053 -0.025) 3.135 5.130 ( 0.206 0.341 -0.161) 0.429 5.138 ( 0.329 0.305 0.288) 0.533 7.229 ( -0.351 -0.053 -0.326) 0.483 7.233 ( -0.413 0.135 -0.088) 0.443 9.301 ( -2.866 -0.703 -0.038) 2.951 9.317 ( -1.496 -0.563 -0.838) 1.805 9.359 ( -1.287 0.656 0.282) 1.472 9.390 ( 0.246 1.415 -0.486) 1.516 9.433 ( 1.541 -1.724 0.474) 2.360 9.557 ( -2.604 -0.718 -2.159) 3.458 ======================= Grid point 98 (37/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -7.884 3.821 1.763) 8.936 0.645 ( -5.315 3.353 3.353) 7.123 0.706 ( -3.603 1.383 3.923) 5.503 0.813 ( -3.816 1.545 -5.427) 6.812 0.911 ( -0.260 2.581 -3.076) 4.024 1.052 ( -0.998 0.667 -2.497) 2.771 1.077 ( -3.501 1.262 3.229) 4.927 1.164 ( -3.424 -0.636 -0.484) 3.516 1.304 ( 0.632 -0.987 2.093) 2.398 1.344 ( 0.348 0.042 1.917) 1.949 1.464 ( -5.600 -0.534 -0.408) 5.640 1.527 ( -9.574 3.121 0.093) 10.070 1.569 ( -1.286 0.996 -1.924) 2.519 1.614 ( -3.627 -1.455 -2.489) 4.634 1.673 ( -2.404 0.337 0.682) 2.521 1.723 ( 2.024 0.834 -2.821) 3.571 1.736 ( -1.678 0.240 0.056) 1.696 1.792 ( 5.209 -0.180 -1.983) 5.577 1.906 ( 1.337 -1.899 2.006) 3.069 1.916 ( -0.631 0.004 0.681) 0.928 1.987 ( -0.869 -2.155 0.535) 2.385 2.019 ( 4.054 0.240 0.750) 4.130 2.049 ( -4.473 -0.310 1.268) 4.660 2.084 ( -5.972 -0.438 1.042) 6.078 2.789 ( 1.981 0.014 -0.144) 1.986 2.800 ( 1.924 0.049 -0.359) 1.958 3.017 ( -3.323 0.183 0.006) 3.328 3.041 ( -2.393 0.625 -0.377) 2.502 3.124 ( -2.951 -0.820 -0.370) 3.085 3.155 ( -2.014 0.049 0.718) 2.139 3.579 ( 10.272 -0.328 -0.265) 10.281 3.596 ( 10.691 -0.358 0.137) 10.698 4.222 ( -1.536 0.040 0.101) 1.540 4.239 ( -1.211 -0.049 0.052) 1.213 4.289 ( -0.617 0.058 0.023) 0.620 4.302 ( -0.612 0.011 -0.032) 0.613 4.656 ( -4.988 0.046 -0.242) 4.994 4.667 ( -5.432 0.010 0.124) 5.433 5.119 ( 1.202 0.214 -0.006) 1.221 5.124 ( 1.555 0.222 0.086) 1.573 7.238 ( -0.776 0.105 -0.262) 0.826 7.247 ( -0.764 0.369 0.129) 0.858 9.327 ( -1.092 -1.530 -0.470) 1.938 9.340 ( -1.928 -0.950 -0.128) 2.153 9.379 ( 0.267 -0.275 -0.211) 0.438 9.405 ( 0.028 1.749 0.001) 1.749 9.418 ( -1.649 0.037 1.131) 2.000 9.574 ( -0.962 -0.797 -1.439) 1.905 ======================= Grid point 99 (38/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -4.762 -1.883 -0.341) 5.132 0.748 ( -4.365 0.753 -2.346) 5.012 0.782 ( -2.316 -0.736 3.840) 4.545 0.882 ( -4.593 1.682 -1.762) 5.199 0.933 ( -2.264 -0.737 -3.944) 4.607 1.060 ( 0.293 2.821 0.534) 2.886 1.146 ( -2.069 -1.819 3.667) 4.586 1.193 ( -0.596 -0.397 1.252) 1.442 1.249 ( 4.012 1.165 1.301) 4.376 1.279 ( 4.847 3.335 0.477) 5.903 1.468 ( 3.308 -1.826 1.968) 4.261 1.501 ( 1.333 -1.651 -2.220) 3.071 1.605 ( 2.761 -0.734 -0.875) 2.988 1.646 ( 3.320 0.575 -2.687) 4.310 1.709 ( -1.201 1.106 -2.385) 2.890 1.751 ( -1.478 0.904 -1.999) 2.646 1.775 ( -3.555 -1.734 0.688) 4.014 1.823 ( -2.957 2.849 1.049) 4.238 1.852 ( 0.499 -2.666 -0.052) 2.713 1.935 ( 0.846 -1.656 0.386) 1.899 1.965 ( -0.660 0.420 1.056) 1.314 2.001 ( -0.029 0.866 2.024) 2.202 2.303 ( -19.532 1.050 -0.066) 19.561 2.307 ( -18.366 0.469 0.145) 18.373 2.752 ( 1.830 -0.046 -0.148) 1.836 2.762 ( 1.943 0.104 -0.139) 1.951 3.072 ( -2.185 0.311 -0.201) 2.216 3.085 ( -1.874 0.578 -0.011) 1.961 3.158 ( -1.806 -0.743 -0.474) 2.009 3.195 ( -1.571 0.078 0.715) 1.728 3.347 ( 14.469 -0.366 -0.076) 14.474 3.358 ( 14.599 -0.430 -0.034) 14.605 4.252 ( -1.520 0.166 -0.095) 1.532 4.263 ( -1.093 0.172 0.077) 1.109 4.300 ( -0.464 -0.023 0.214) 0.511 4.310 ( -0.398 -0.274 -0.183) 0.517 4.754 ( -5.455 -0.011 -0.217) 5.459 4.770 ( -5.399 -0.020 0.124) 5.400 5.082 ( 2.794 -0.015 -0.075) 2.795 5.091 ( 2.172 0.111 0.017) 2.175 7.254 ( -0.842 0.179 -0.179) 0.879 7.264 ( -0.587 0.344 0.125) 0.692 9.334 ( -1.044 -1.261 -0.307) 1.665 9.350 ( -0.866 -1.987 -0.615) 2.253 9.378 ( 0.205 0.927 0.274) 0.988 9.414 ( 0.095 1.116 1.063) 1.544 9.463 ( -1.785 0.660 -0.090) 1.905 9.575 ( -0.478 -0.753 -0.728) 1.152 ======================= Grid point 100 (39/125) ======================= q-point: ( 0.67 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -4.879 -2.084 -0.085) 5.306 0.783 ( -2.148 -1.884 -4.082) 4.982 0.809 ( 0.149 -0.918 1.411) 1.690 0.954 ( -2.523 0.318 -0.379) 2.571 0.988 ( -5.822 -2.221 -2.363) 6.664 1.062 ( 1.629 -0.356 2.625) 3.110 1.155 ( 2.361 -1.015 -2.252) 3.417 1.198 ( 4.199 3.607 0.602) 5.569 1.204 ( 0.080 2.132 3.042) 3.715 1.220 ( 3.600 3.615 0.834) 5.169 1.424 ( 1.320 0.018 3.007) 3.284 1.478 ( -0.547 -0.744 -0.628) 1.116 1.534 ( 2.010 -0.124 -1.868) 2.747 1.596 ( 0.590 -1.008 -2.257) 2.541 1.732 ( -1.405 -0.795 -1.321) 2.086 1.734 ( 1.267 -2.343 -0.523) 2.714 1.786 ( -0.553 -1.580 -0.595) 1.777 1.831 ( -1.199 -1.175 -0.560) 1.770 1.893 ( -0.200 2.511 0.061) 2.520 1.924 ( 0.059 0.059 0.849) 0.853 1.977 ( 0.317 1.002 1.720) 2.015 2.018 ( -0.420 -0.127 -0.263) 0.512 2.682 ( -19.275 0.812 -0.050) 19.292 2.694 ( -19.097 0.562 0.048) 19.106 2.728 ( -0.703 0.152 -0.053) 0.721 2.736 ( -0.117 -0.116 -0.067) 0.178 3.038 ( 17.973 -0.493 -0.043) 17.980 3.050 ( 17.511 -0.202 0.139) 17.513 3.098 ( -0.276 -0.081 -0.178) 0.338 3.112 ( -0.278 0.138 -0.069) 0.318 3.178 ( -0.828 -0.403 -0.417) 1.011 3.221 ( -0.456 0.103 0.297) 0.554 4.275 ( -0.694 0.107 -0.090) 0.708 4.276 ( -0.205 -0.034 -0.046) 0.213 4.303 ( 0.146 -0.115 0.012) 0.186 4.317 ( -0.564 0.005 0.022) 0.564 4.840 ( -3.306 -0.035 -0.118) 3.308 4.853 ( -2.976 0.003 0.080) 2.977 5.028 ( 2.210 -0.151 -0.288) 2.234 5.050 ( 1.849 0.000 0.029) 1.850 7.266 ( -0.366 0.069 -0.127) 0.393 7.271 ( 0.058 0.044 -0.031) 0.079 9.344 ( -0.915 -0.771 -0.196) 1.213 9.350 ( -0.771 -1.402 -0.314) 1.631 9.381 ( 0.294 0.858 -0.024) 0.907 9.424 ( 0.351 1.112 1.139) 1.630 9.485 ( -0.424 0.222 -0.846) 0.972 9.577 ( -0.500 -0.520 -0.020) 0.722 ======================= Grid point 101 (40/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.858 -0.283 -0.375) 0.978 0.781 ( 1.086 -0.280 -1.697) 2.034 0.812 ( 2.909 -2.094 -0.116) 3.586 0.930 ( -0.191 -1.291 -0.159) 1.315 1.003 ( 3.685 -1.653 -0.695) 4.098 1.081 ( -0.534 -1.619 -0.144) 1.711 1.084 ( 0.096 0.869 0.176) 0.892 1.186 ( -0.670 1.621 1.085) 2.062 1.200 ( 1.063 2.921 -1.387) 3.404 1.231 ( -0.689 2.431 0.052) 2.527 1.456 ( -2.948 1.980 2.258) 4.208 1.505 ( -2.303 1.270 -0.331) 2.651 1.542 ( -3.378 -1.871 1.550) 4.161 1.588 ( -2.163 -2.117 -1.491) 3.374 1.691 ( 1.479 -3.014 -0.800) 3.451 1.746 ( -1.354 -0.537 -0.548) 1.556 1.765 ( 1.575 -0.995 -0.884) 2.062 1.830 ( 0.561 -0.895 0.025) 1.056 1.898 ( 0.667 1.413 -0.956) 1.831 1.929 ( 0.209 0.258 0.331) 0.469 1.987 ( 0.301 1.403 1.391) 1.998 2.011 ( 0.573 0.047 -0.950) 1.111 2.653 ( 21.015 -0.867 -0.078) 21.033 2.667 ( 15.897 -0.377 -0.049) 15.902 2.730 ( -0.489 0.145 -0.011) 0.510 2.751 ( 3.619 0.292 0.282) 3.642 3.053 ( -17.531 0.336 0.002) 17.534 3.062 ( -17.423 0.425 0.136) 17.429 3.091 ( 0.495 -0.461 -0.128) 0.688 3.104 ( 0.937 -0.152 -0.163) 0.963 3.181 ( 0.087 -0.158 -0.350) 0.394 3.221 ( 0.713 0.184 0.083) 0.741 4.271 ( 0.696 -0.153 0.006) 0.712 4.272 ( 0.791 -0.191 -0.094) 0.819 4.301 ( -0.007 0.031 -0.193) 0.195 4.325 ( -0.042 0.212 0.144) 0.260 4.840 ( 3.223 -0.054 -0.077) 3.224 4.855 ( 2.923 0.074 0.094) 2.926 5.028 ( -2.382 -0.116 -0.243) 2.397 5.047 ( -1.647 -0.084 -0.045) 1.650 7.262 ( 0.635 -0.200 -0.090) 0.672 7.267 ( 0.294 -0.058 -0.067) 0.307 9.353 ( -0.575 -0.465 -0.057) 0.741 9.354 ( -0.654 -0.791 -0.118) 1.033 9.381 ( 0.297 0.718 -0.089) 0.782 9.428 ( 0.654 1.141 1.042) 1.678 9.475 ( 0.998 -0.053 -1.296) 1.637 9.585 ( -0.559 -0.264 0.400) 0.736 ======================= Grid point 102 (41/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 12.740 -2.001 -1.322) 12.964 0.721 ( 3.031 -0.078 0.336) 3.051 0.745 ( 3.341 0.426 -1.595) 3.726 0.882 ( 5.327 -1.205 -0.043) 5.462 0.980 ( 2.864 -1.076 2.204) 3.771 1.029 ( -0.584 0.132 1.415) 1.536 1.080 ( 1.741 0.217 -2.980) 3.458 1.203 ( -0.073 0.370 -0.065) 0.383 1.254 ( -6.072 1.460 -0.421) 6.259 1.336 ( -6.653 2.698 0.290) 7.185 1.542 ( -1.176 -0.091 1.593) 1.982 1.550 ( -0.654 0.243 0.340) 0.776 1.583 ( 6.009 -0.989 0.579) 6.118 1.630 ( -4.943 -1.011 -1.391) 5.233 1.650 ( -5.881 -1.049 0.488) 5.994 1.706 ( 3.453 -0.968 -0.537) 3.626 1.771 ( -1.881 -0.575 0.604) 2.058 1.787 ( 3.728 -0.218 0.208) 3.740 1.891 ( 1.218 0.693 -1.056) 1.755 1.903 ( 2.002 -1.087 -0.507) 2.334 1.990 ( 0.646 0.084 -0.364) 0.747 2.010 ( -0.280 1.742 0.216) 1.777 2.260 ( 18.161 -0.968 -0.147) 18.187 2.319 ( 17.437 0.616 0.206) 17.449 2.754 ( -1.795 0.034 0.008) 1.796 2.768 ( -1.955 0.053 0.111) 1.959 3.060 ( 1.886 -0.471 -0.035) 1.944 3.067 ( 2.477 -0.115 -0.012) 2.479 3.169 ( 0.886 -0.017 -0.154) 0.900 3.195 ( 2.255 0.210 0.018) 2.265 3.355 ( -14.532 0.119 -0.060) 14.532 3.368 ( -14.659 0.126 0.025) 14.660 4.247 ( 1.506 -0.101 -0.069) 1.511 4.255 ( 0.944 -0.112 -0.014) 0.951 4.297 ( 0.416 0.012 -0.084) 0.425 4.320 ( 0.728 0.102 0.072) 0.738 4.754 ( 5.333 -0.044 -0.043) 5.333 4.773 ( 5.443 0.078 0.077) 5.444 5.079 ( -2.686 -0.044 -0.074) 2.687 5.086 ( -2.135 -0.084 -0.028) 2.137 7.248 ( 0.668 -0.163 -0.030) 0.688 7.256 ( 0.713 -0.046 0.023) 0.715 9.353 ( 0.330 -0.254 -0.019) 0.417 9.359 ( -0.439 -0.353 0.014) 0.564 9.379 ( 0.340 0.462 -0.035) 0.575 9.427 ( 1.448 0.128 1.550) 2.125 9.444 ( 0.866 0.745 -1.812) 2.143 9.596 ( -0.503 -0.103 0.478) 0.702 ======================= Grid point 106 (42/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( 0.000 7.337 8.162) 10.975 0.270 ( 0.000 13.896 3.072) 14.232 0.387 ( 0.000 10.346 5.276) 11.614 0.542 ( 0.000 11.676 8.155) 14.242 0.616 ( -0.000 7.608 -5.058) 9.136 0.769 ( 0.000 1.533 1.209) 1.953 1.006 ( -0.000 -0.019 -3.645) 3.645 1.053 ( -0.000 -2.982 -6.216) 6.894 1.133 ( -0.000 1.576 -1.912) 2.478 1.146 ( -0.000 3.381 -1.187) 3.584 1.515 ( 0.000 -4.749 0.940) 4.841 1.524 ( 0.000 -1.998 2.185) 2.961 1.573 ( 0.000 0.800 0.702) 1.064 1.583 ( -0.000 -2.623 -1.168) 2.871 1.675 ( -0.000 0.056 -1.639) 1.640 1.686 ( -0.000 -1.689 -7.505) 7.693 1.881 ( 0.000 -1.078 1.199) 1.613 1.898 ( 0.000 1.395 1.027) 1.733 1.912 ( -0.000 -1.367 -0.268) 1.394 1.964 ( -0.000 -0.197 -0.133) 0.238 1.987 ( 0.000 -2.179 2.888) 3.617 2.013 ( 0.000 1.159 1.296) 1.739 2.049 ( 0.000 0.543 4.433) 4.467 2.255 ( -0.000 -1.303 -4.396) 4.585 2.836 ( -0.000 -0.226 -0.193) 0.297 2.839 ( -0.000 -0.175 -0.459) 0.491 2.946 ( 0.000 -1.075 0.329) 1.124 2.976 ( -0.000 -1.112 -0.833) 1.389 3.036 ( 0.000 0.859 0.686) 1.099 3.107 ( -0.000 -0.062 -1.433) 1.434 3.760 ( 0.000 0.787 0.498) 0.931 3.790 ( -0.000 0.295 -0.333) 0.445 4.203 ( 0.000 -1.186 0.925) 1.504 4.215 ( 0.000 -0.457 -0.033) 0.458 4.272 ( -0.000 0.224 0.024) 0.225 4.285 ( -0.000 0.784 -0.861) 1.164 4.550 ( -0.000 0.052 0.006) 0.052 4.553 ( -0.000 0.010 -0.097) 0.098 5.125 ( 0.000 0.615 0.192) 0.644 5.136 ( -0.000 0.402 -0.049) 0.405 7.224 ( -0.000 0.024 -0.341) 0.342 7.227 ( -0.000 0.012 -0.444) 0.444 9.257 ( 0.000 0.567 0.268) 0.627 9.289 ( -0.000 0.829 -1.145) 1.414 9.345 ( -0.000 0.969 0.159) 0.982 9.379 ( -0.000 1.214 -0.602) 1.355 9.474 ( 0.000 -1.256 0.040) 1.257 9.497 ( -0.000 0.696 -1.440) 1.600 ======================= Grid point 107 (43/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -7.308 5.014 5.403) 10.380 0.507 ( -7.813 6.078 6.368) 11.770 0.619 ( -4.185 5.220 1.500) 6.856 0.701 ( -5.674 5.590 -1.025) 8.031 0.828 ( -16.415 6.464 1.955) 17.750 0.887 ( -3.962 2.849 -4.206) 6.442 1.002 ( -1.939 0.764 -6.375) 6.707 1.065 ( -9.419 3.274 0.408) 9.980 1.122 ( -3.673 1.632 1.562) 4.312 1.241 ( -4.883 2.535 -0.194) 5.505 1.462 ( 1.539 -2.539 0.127) 2.972 1.492 ( 3.251 -3.687 -1.419) 5.116 1.564 ( -1.558 -2.540 0.764) 3.076 1.600 ( 0.028 0.383 -0.528) 0.653 1.625 ( 0.139 0.233 -5.053) 5.060 1.689 ( -2.062 0.218 -1.226) 2.409 1.813 ( 4.947 -2.589 0.263) 5.590 1.883 ( 3.615 -0.222 0.258) 3.631 1.916 ( -0.348 0.693 0.809) 1.121 1.949 ( 1.061 -0.635 0.264) 1.265 1.982 ( 0.371 -1.339 2.718) 3.053 2.020 ( -1.029 -0.713 0.714) 1.441 2.060 ( 1.381 0.210 1.741) 2.232 2.139 ( 5.858 -1.324 -0.036) 6.006 2.820 ( 1.331 -0.147 -0.211) 1.356 2.826 ( 1.092 0.038 -0.496) 1.200 2.961 ( -2.415 -0.371 0.047) 2.444 2.993 ( -2.094 -0.154 -0.745) 2.228 3.071 ( -2.773 -0.133 0.585) 2.837 3.121 ( -1.768 -0.095 -0.541) 1.851 3.722 ( 5.096 -0.089 -0.370) 5.110 3.748 ( 5.175 0.140 0.132) 5.179 4.203 ( -0.662 -0.405 0.417) 0.881 4.222 ( -0.882 -0.394 0.010) 0.967 4.277 ( -0.397 0.208 -0.029) 0.450 4.290 ( -0.455 0.374 -0.164) 0.612 4.579 ( -3.022 0.086 -0.050) 3.023 4.582 ( -3.236 0.087 -0.069) 3.238 5.129 ( 0.276 0.388 -0.047) 0.478 5.140 ( 0.330 0.429 0.154) 0.563 7.226 ( -0.345 0.004 -0.331) 0.478 7.232 ( -0.520 0.287 -0.147) 0.612 9.301 ( -2.931 -0.555 -0.050) 2.983 9.309 ( -1.648 -0.413 -0.865) 1.906 9.362 ( -1.104 0.802 0.477) 1.445 9.385 ( 0.095 1.256 -0.604) 1.397 9.437 ( 1.344 -1.365 0.506) 1.981 9.538 ( -2.516 -0.039 -2.034) 3.236 ======================= Grid point 108 (44/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -6.847 1.342 3.246) 7.696 0.664 ( -4.428 1.247 -0.239) 4.606 0.740 ( -4.261 2.433 3.511) 6.034 0.782 ( -2.675 2.288 -0.572) 3.566 0.880 ( -0.915 2.134 -3.739) 4.401 1.019 ( -1.283 2.762 -3.937) 4.977 1.109 ( -5.642 0.491 3.196) 6.503 1.159 ( -3.773 -0.254 -0.527) 3.818 1.325 ( 1.624 -0.914 2.505) 3.122 1.356 ( 3.188 -0.137 0.760) 3.280 1.466 ( -8.441 0.170 0.713) 8.473 1.525 ( -5.489 3.084 -0.730) 6.338 1.547 ( -6.228 0.915 -2.650) 6.830 1.594 ( -4.093 0.840 -1.749) 4.530 1.677 ( -2.462 -0.157 0.269) 2.481 1.699 ( 3.601 -0.906 -2.091) 4.262 1.741 ( -2.499 1.084 0.791) 2.837 1.779 ( 5.936 -0.561 -1.048) 6.054 1.917 ( 0.726 -1.801 0.380) 1.979 1.927 ( -0.055 -0.625 2.000) 2.097 1.981 ( 1.587 -2.605 -1.457) 3.380 2.029 ( -2.562 1.048 1.186) 3.012 2.057 ( -0.996 -0.105 0.411) 1.083 2.097 ( -4.665 -1.048 1.712) 5.078 2.788 ( 1.941 -0.037 -0.129) 1.946 2.797 ( 1.876 0.172 -0.315) 1.910 3.017 ( -3.265 0.216 0.025) 3.272 3.037 ( -2.611 0.532 -0.327) 2.685 3.121 ( -2.744 -0.980 -0.249) 2.924 3.161 ( -2.242 0.194 0.527) 2.311 3.577 ( 10.139 -0.341 -0.200) 10.146 3.597 ( 10.817 -0.276 0.090) 10.821 4.223 ( -1.462 -0.063 0.084) 1.466 4.240 ( -1.233 -0.029 0.046) 1.235 4.289 ( -0.700 -0.004 0.021) 0.700 4.302 ( -0.564 0.051 -0.028) 0.567 4.654 ( -4.965 0.040 -0.172) 4.968 4.668 ( -5.443 0.088 0.071) 5.444 5.119 ( 1.103 0.225 0.000) 1.125 5.124 ( 1.687 0.185 0.067) 1.699 7.236 ( -0.817 0.110 -0.186) 0.845 7.248 ( -0.786 0.480 0.067) 0.923 9.323 ( -1.208 -1.465 -0.406) 1.942 9.339 ( -1.661 -1.183 -0.123) 2.043 9.378 ( 0.001 0.026 0.043) 0.050 9.404 ( -0.475 2.064 -0.211) 2.128 9.428 ( -1.205 -0.381 1.096) 1.673 9.561 ( -1.177 -0.427 -1.346) 1.838 ======================= Grid point 109 (45/125) ======================= q-point: ( 0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -4.536 -2.410 1.285) 5.294 0.720 ( -3.683 -1.360 -3.612) 5.335 0.818 ( -1.574 -0.845 3.997) 4.378 0.875 ( -4.693 2.740 -0.009) 5.434 0.898 ( -2.817 -1.055 -3.837) 4.876 1.062 ( -1.132 2.969 0.037) 3.177 1.171 ( -1.306 -2.238 1.986) 3.265 1.199 ( -0.624 0.671 0.194) 0.936 1.263 ( 4.384 1.728 1.347) 4.901 1.282 ( 4.700 3.021 0.589) 5.618 1.472 ( 0.817 -0.805 -2.595) 2.837 1.504 ( 3.238 -1.738 4.355) 5.698 1.589 ( 3.250 -1.062 -3.257) 4.723 1.624 ( 3.611 0.662 -1.859) 4.115 1.695 ( -1.767 0.127 -0.795) 1.942 1.738 ( -1.681 0.393 -0.935) 1.964 1.781 ( -4.524 -0.893 0.484) 4.636 1.831 ( -0.775 0.413 0.837) 1.213 1.848 ( -0.354 -1.250 -0.688) 1.470 1.942 ( 0.091 -1.987 0.904) 2.185 1.969 ( -1.061 0.807 0.013) 1.333 2.017 ( 1.241 1.145 1.310) 2.137 2.303 ( -19.797 1.071 -0.045) 19.826 2.308 ( -17.991 0.452 0.091) 17.996 2.751 ( 1.804 -0.128 -0.099) 1.811 2.761 ( 1.915 0.228 -0.088) 1.930 3.071 ( -2.121 0.260 -0.119) 2.140 3.085 ( -1.975 0.541 -0.013) 2.047 3.155 ( -1.896 -0.895 -0.256) 2.112 3.201 ( -1.458 0.189 0.410) 1.527 3.346 ( 14.440 -0.440 -0.054) 14.447 3.357 ( 14.629 -0.420 -0.021) 14.635 4.252 ( -1.494 0.109 -0.054) 1.499 4.263 ( -1.072 0.158 0.041) 1.084 4.302 ( -0.632 -0.091 0.209) 0.672 4.309 ( -0.254 -0.207 -0.188) 0.378 4.752 ( -5.489 -0.060 -0.127) 5.491 4.771 ( -5.370 0.025 0.067) 5.371 5.081 ( 2.868 -0.115 -0.048) 2.870 5.091 ( 2.124 0.092 0.010) 2.126 7.253 ( -0.866 0.137 -0.098) 0.882 7.265 ( -0.552 0.355 0.063) 0.659 9.332 ( -1.067 -1.236 -0.192) 1.644 9.346 ( -0.887 -1.938 -0.331) 2.157 9.380 ( 0.331 0.892 0.179) 0.968 9.421 ( 0.037 1.710 0.623) 1.821 9.463 ( -1.703 -0.191 -0.032) 1.714 9.569 ( -0.706 -0.538 -0.509) 1.024 ======================= Grid point 110 (46/125) ======================= q-point: ( 0.78 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -3.690 -1.901 0.816) 4.230 0.754 ( -4.166 -2.928 -2.330) 5.600 0.819 ( 1.240 -0.948 0.571) 1.662 0.956 ( -3.684 -0.675 0.876) 3.846 0.969 ( -5.291 -1.836 -1.853) 5.899 1.083 ( 0.811 0.520 1.802) 2.043 1.133 ( 4.371 -1.596 -2.048) 5.085 1.197 ( 3.611 4.478 -0.110) 5.754 1.216 ( 2.464 3.835 0.181) 4.562 1.241 ( 1.922 1.414 2.137) 3.203 1.438 ( 1.515 0.895 -0.183) 1.769 1.487 ( 0.014 -0.791 2.984) 3.087 1.517 ( 0.323 -0.902 -2.223) 2.421 1.575 ( 0.394 -0.822 -1.744) 1.967 1.725 ( -1.739 -2.123 -0.354) 2.767 1.732 ( 1.290 -1.442 -0.179) 1.943 1.782 ( -0.387 -2.503 -0.193) 2.540 1.827 ( -1.472 -1.208 -0.215) 1.916 1.892 ( 0.126 2.705 -0.117) 2.711 1.931 ( 0.404 0.039 0.531) 0.668 1.988 ( -0.058 1.242 0.763) 1.459 2.015 ( 0.160 -0.149 -0.316) 0.384 2.682 ( -19.393 0.797 -0.003) 19.410 2.694 ( -18.768 0.434 -0.006) 18.773 2.727 ( -1.192 0.212 -0.013) 1.210 2.736 ( 0.130 -0.029 -0.027) 0.136 3.038 ( 18.049 -0.509 -0.011) 18.057 3.050 ( 17.383 -0.120 0.045) 17.383 3.097 ( -0.147 -0.191 -0.044) 0.245 3.111 ( -0.348 0.111 -0.053) 0.369 3.176 ( -0.899 -0.536 -0.145) 1.056 3.223 ( -0.395 0.146 0.101) 0.433 4.274 ( -0.730 0.092 -0.035) 0.736 4.276 ( -0.190 -0.065 -0.018) 0.202 4.303 ( 0.280 -0.213 0.004) 0.352 4.317 ( -0.663 0.091 0.009) 0.670 4.839 ( -3.349 -0.066 -0.044) 3.350 4.854 ( -2.970 0.032 0.029) 2.971 5.026 ( 2.231 -0.265 -0.108) 2.249 5.050 ( 1.862 -0.018 0.006) 1.862 7.265 ( -0.393 0.035 -0.048) 0.397 7.271 ( 0.098 0.003 -0.014) 0.099 9.342 ( -0.936 -0.750 -0.073) 1.202 9.348 ( -0.860 -1.481 -0.121) 1.717 9.381 ( 0.359 0.861 0.007) 0.933 9.432 ( 0.531 1.634 0.515) 1.794 9.479 ( -0.447 -0.466 -0.423) 0.771 9.577 ( -0.655 -0.387 -0.009) 0.761 ======================= Grid point 111 (47/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.477 -0.445 -0.000) 0.652 0.773 ( 2.238 -0.371 -0.000) 2.268 0.812 ( 3.426 -2.363 -0.000) 4.162 0.930 ( -0.633 -1.381 -0.000) 1.519 1.000 ( 3.532 -1.794 -0.000) 3.961 1.080 ( -1.091 -1.754 -0.000) 2.066 1.084 ( -0.018 1.027 0.000) 1.027 1.191 ( 2.604 3.262 0.000) 4.174 1.194 ( -1.536 1.692 0.000) 2.285 1.231 ( 0.041 2.404 0.000) 2.404 1.468 ( -3.335 2.321 0.000) 4.063 1.502 ( -1.824 1.616 0.000) 2.437 1.554 ( -4.463 -2.907 -0.000) 5.326 1.575 ( -2.087 -1.485 -0.000) 2.561 1.688 ( 1.495 -3.499 -0.000) 3.805 1.743 ( -1.512 -0.642 -0.000) 1.643 1.761 ( 1.546 -1.190 -0.000) 1.950 1.830 ( 0.485 -0.847 -0.000) 0.976 1.894 ( 0.955 1.473 0.000) 1.756 1.931 ( 0.335 0.435 0.000) 0.549 1.996 ( 0.477 0.998 0.000) 1.106 2.004 ( 0.582 0.355 0.000) 0.681 2.653 ( 21.204 -0.918 -0.000) 21.224 2.666 ( 15.475 -0.326 -0.000) 15.479 2.730 ( -0.507 0.139 0.000) 0.525 2.753 ( 3.816 0.308 -0.000) 3.828 3.053 ( -17.663 0.337 0.000) 17.666 3.063 ( -17.454 0.467 0.000) 17.460 3.091 ( 0.347 -0.541 -0.000) 0.643 3.103 ( 1.175 -0.147 -0.000) 1.185 3.180 ( 0.104 -0.222 -0.000) 0.245 3.222 ( 0.763 0.208 0.000) 0.791 4.271 ( 0.559 -0.190 -0.000) 0.591 4.272 ( 0.933 -0.175 -0.000) 0.949 4.300 ( -0.005 0.023 0.000) 0.024 4.326 ( -0.048 0.219 0.000) 0.225 4.839 ( 3.227 -0.071 -0.000) 3.228 4.855 ( 2.920 0.089 -0.000) 2.921 5.027 ( -2.421 -0.163 0.000) 2.426 5.047 ( -1.640 -0.088 0.000) 1.642 7.262 ( 0.634 -0.231 -0.000) 0.675 7.266 ( 0.272 -0.056 -0.000) 0.278 9.353 ( -0.579 -0.422 -0.000) 0.717 9.353 ( -0.726 -0.895 -0.000) 1.152 9.381 ( 0.321 0.742 0.000) 0.809 9.433 ( 0.694 1.565 0.000) 1.712 9.469 ( 1.029 -0.526 -0.000) 1.156 9.587 ( -0.641 -0.210 -0.000) 0.674 ======================= Grid point 114 (48/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 8.644 0.000 9.807) 13.073 0.597 ( 12.005 0.000 1.936) 12.160 0.699 ( 4.039 0.000 4.570) 6.100 0.777 ( 9.380 -0.000 -5.091) 10.673 0.854 ( -2.838 -0.000 -3.128) 4.223 1.028 ( -0.577 -0.000 -5.899) 5.927 1.065 ( 8.851 0.000 4.678) 10.011 1.199 ( 1.223 -0.000 -1.220) 1.727 1.318 ( 15.573 0.000 2.027) 15.704 1.375 ( 19.039 0.000 -0.444) 19.044 1.396 ( -5.842 0.000 1.512) 6.034 1.474 ( -6.156 -0.000 -0.804) 6.209 1.554 ( -1.195 -0.000 -2.800) 3.044 1.640 ( 0.993 -0.000 -7.172) 7.240 1.645 ( 3.928 0.000 2.154) 4.479 1.737 ( 1.967 -0.000 -0.705) 2.090 1.755 ( -6.443 0.000 0.427) 6.457 1.783 ( -5.227 -0.000 -1.223) 5.369 1.921 ( 0.629 0.000 1.496) 1.622 1.927 ( -2.238 0.000 4.096) 4.667 1.973 ( 1.505 -0.000 -0.196) 1.518 2.020 ( -0.501 -0.000 -0.682) 0.846 2.073 ( 3.424 0.000 1.930) 3.931 2.113 ( 4.058 0.000 1.132) 4.213 2.791 ( -2.065 -0.000 -0.072) 2.066 2.801 ( -1.887 -0.000 -0.481) 1.947 3.015 ( 2.926 0.000 0.011) 2.926 3.019 ( 2.266 -0.000 -0.071) 2.267 3.143 ( 3.490 0.000 0.260) 3.500 3.152 ( 1.357 0.000 0.184) 1.370 3.588 ( -10.409 -0.000 0.053) 10.409 3.600 ( -10.477 -0.000 -0.439) 10.487 4.223 ( 1.225 0.000 0.495) 1.321 4.237 ( 0.940 -0.000 -0.058) 0.942 4.289 ( 0.693 0.000 0.233) 0.731 4.301 ( 1.131 -0.000 -0.165) 1.143 4.657 ( 5.021 0.000 0.012) 5.021 4.666 ( 5.476 -0.000 -0.392) 5.490 5.117 ( -1.229 0.000 0.025) 1.230 5.117 ( -1.206 0.000 0.023) 1.207 7.236 ( 0.520 -0.000 -0.146) 0.540 7.240 ( 0.788 -0.000 -0.269) 0.832 9.339 ( 1.119 0.000 0.160) 1.130 9.359 ( 0.285 -0.000 -0.509) 0.583 9.374 ( 0.407 -0.000 -0.094) 0.418 9.375 ( 2.584 -0.000 -0.143) 2.588 9.466 ( -0.280 0.000 1.150) 1.183 9.573 ( 0.827 -0.000 -3.025) 3.136 ======================= Grid point 116 (49/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 0.000 13.187 3.318) 13.598 0.301 ( 0.000 11.407 5.176) 12.527 0.429 ( 0.000 4.252 3.986) 5.828 0.566 ( -0.000 6.841 -6.097) 9.163 0.636 ( 0.000 10.496 12.572) 16.378 0.791 ( 0.000 1.415 3.704) 3.965 0.954 ( -0.000 0.037 -7.608) 7.608 0.988 ( -0.000 -0.152 -8.797) 8.798 1.123 ( -0.000 1.578 -0.217) 1.592 1.138 ( -0.000 2.687 -0.648) 2.764 1.522 ( 0.000 -4.480 0.764) 4.545 1.537 ( 0.000 -2.610 0.549) 2.667 1.577 ( 0.000 -2.959 -0.289) 2.973 1.586 ( 0.000 1.412 2.100) 2.530 1.629 ( -0.000 -2.156 -4.991) 5.437 1.658 ( -0.000 0.355 -2.216) 2.244 1.891 ( 0.000 -0.822 0.971) 1.272 1.910 ( -0.000 -1.307 -0.365) 1.357 1.910 ( 0.000 1.479 1.749) 2.290 1.958 ( -0.000 0.725 -1.131) 1.343 2.002 ( 0.000 -1.482 0.898) 1.733 2.018 ( -0.000 1.778 -0.083) 1.780 2.096 ( 0.000 -0.626 5.562) 5.597 2.219 ( -0.000 -2.258 -3.917) 4.521 2.834 ( -0.000 -0.271 -0.167) 0.318 2.836 ( -0.000 -0.319 -0.311) 0.445 2.949 ( 0.000 -1.088 0.398) 1.159 2.968 ( -0.000 -1.076 -0.950) 1.435 3.045 ( 0.000 0.796 1.303) 1.527 3.092 ( -0.000 0.192 -1.827) 1.837 3.765 ( 0.000 0.808 0.691) 1.063 3.786 ( -0.000 0.588 -0.662) 0.886 4.209 ( 0.000 -1.059 0.503) 1.172 4.214 ( 0.000 -0.527 -0.062) 0.531 4.273 ( 0.000 0.283 0.065) 0.291 4.279 ( -0.000 0.696 -0.519) 0.868 4.550 ( 0.000 0.049 0.030) 0.057 4.552 ( -0.000 0.021 -0.109) 0.112 5.127 ( 0.000 0.637 0.267) 0.691 5.135 ( -0.000 0.571 -0.227) 0.615 7.222 ( -0.000 0.110 -0.277) 0.298 7.224 ( -0.000 0.100 -0.412) 0.424 9.260 ( 0.000 0.601 0.424) 0.736 9.279 ( -0.000 0.780 -1.046) 1.305 9.349 ( 0.000 1.035 0.741) 1.273 9.373 ( -0.000 1.136 -0.816) 1.399 9.475 ( 0.000 -1.036 0.148) 1.046 9.487 ( -0.000 0.092 -0.865) 0.870 ======================= Grid point 117 (50/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -7.389 4.980 4.926) 10.181 0.543 ( -6.800 2.764 0.446) 7.354 0.635 ( -4.681 6.054 3.698) 8.499 0.702 ( -8.125 4.440 -0.030) 9.259 0.833 ( -4.519 1.376 -0.402) 4.740 0.870 ( -9.422 7.767 0.229) 12.213 0.946 ( -2.993 0.739 -5.698) 6.479 1.063 ( -10.749 5.806 -0.666) 12.234 1.134 ( -5.003 1.884 0.941) 5.428 1.238 ( -6.380 3.188 -0.307) 7.139 1.460 ( 2.552 -3.660 -0.485) 4.488 1.490 ( 3.172 -2.762 0.869) 4.295 1.564 ( 2.092 -1.202 -4.641) 5.231 1.568 ( -0.980 -2.228 0.153) 2.439 1.622 ( -1.816 0.902 1.446) 2.491 1.679 ( -2.579 0.855 -1.142) 2.948 1.815 ( 5.229 -2.680 0.088) 5.876 1.886 ( 4.140 -0.509 0.275) 4.180 1.923 ( -0.234 0.612 0.719) 0.972 1.950 ( 0.640 0.625 0.096) 0.900 1.996 ( 0.376 -0.206 0.577) 0.718 2.028 ( -0.738 -0.204 0.879) 1.166 2.066 ( 3.509 -2.276 0.107) 4.184 2.143 ( 2.975 -1.893 0.725) 3.600 2.818 ( 1.296 -0.175 -0.153) 1.316 2.823 ( 1.103 0.038 -0.285) 1.140 2.962 ( -2.354 -0.371 0.086) 2.385 2.987 ( -2.283 -0.232 -0.514) 2.351 3.076 ( -2.341 -0.346 0.548) 2.429 3.116 ( -2.389 0.265 -0.552) 2.467 3.720 ( 5.297 0.018 -0.144) 5.299 3.748 ( 5.127 0.396 0.011) 5.142 4.206 ( -0.571 -0.503 0.232) 0.795 4.222 ( -0.896 -0.410 0.008) 0.985 4.277 ( -0.389 0.207 -0.020) 0.442 4.289 ( -0.627 0.342 -0.095) 0.721 4.578 ( -2.871 0.126 -0.006) 2.874 4.582 ( -3.330 0.123 -0.066) 3.333 5.129 ( 0.349 0.411 0.003) 0.539 5.141 ( 0.294 0.539 0.051) 0.616 7.223 ( -0.355 0.068 -0.207) 0.416 7.231 ( -0.598 0.408 -0.108) 0.732 9.300 ( -2.623 -0.566 -0.147) 2.688 9.303 ( -2.097 -0.117 -0.398) 2.137 9.367 ( -0.762 0.745 0.560) 1.204 9.380 ( -0.197 1.260 -0.612) 1.415 9.441 ( 1.162 -1.083 0.345) 1.625 9.523 ( -2.269 0.226 -1.181) 2.568 ======================= Grid point 118 (51/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -5.752 -0.116 4.477) 7.290 0.639 ( -4.868 -0.492 -4.429) 6.600 0.769 ( -3.562 4.053 2.799) 6.079 0.791 ( -2.558 2.896 0.670) 3.922 0.851 ( -0.828 0.496 -1.962) 2.186 0.990 ( -2.654 4.258 -2.076) 5.430 1.129 ( -6.859 0.708 1.137) 6.989 1.156 ( -3.212 -0.371 -0.205) 3.240 1.346 ( 2.992 -0.914 1.830) 3.624 1.357 ( 3.661 -0.231 -0.455) 3.696 1.473 ( -5.496 -0.020 0.602) 5.529 1.515 ( -5.022 1.070 -1.027) 5.236 1.530 ( -14.209 4.782 -0.937) 15.022 1.584 ( -1.422 1.193 -0.550) 1.936 1.678 ( -3.161 -0.157 0.072) 3.166 1.686 ( 5.104 -2.577 -0.702) 5.761 1.747 ( -3.448 1.756 0.453) 3.896 1.772 ( 6.685 -0.804 -0.417) 6.746 1.919 ( 0.240 -1.250 0.074) 1.275 1.946 ( 0.580 -1.271 2.051) 2.481 1.965 ( 1.995 -2.458 -1.936) 3.711 2.037 ( -6.046 0.112 0.570) 6.074 2.058 ( 0.860 0.713 -0.053) 1.118 2.109 ( -3.253 -1.313 0.767) 3.591 2.787 ( 1.908 -0.085 -0.052) 1.911 2.795 ( 1.851 0.266 -0.124) 1.874 3.018 ( -3.207 0.242 0.017) 3.216 3.035 ( -2.772 0.469 -0.131) 2.814 3.119 ( -2.635 -1.068 -0.087) 2.845 3.164 ( -2.367 0.276 0.190) 2.390 3.576 ( 10.076 -0.344 -0.073) 10.082 3.598 ( 10.877 -0.229 0.030) 10.879 4.223 ( -1.418 -0.127 0.032) 1.424 4.240 ( -1.247 -0.018 0.018) 1.247 4.289 ( -0.756 -0.046 0.008) 0.758 4.302 ( -0.530 0.078 -0.011) 0.536 4.653 ( -4.944 0.043 -0.061) 4.945 4.668 ( -5.454 0.130 0.022) 5.456 5.119 ( 1.057 0.226 0.001) 1.081 5.125 ( 1.752 0.167 0.024) 1.760 7.235 ( -0.842 0.120 -0.067) 0.853 7.248 ( -0.802 0.545 0.020) 0.970 9.321 ( -1.283 -1.431 -0.159) 1.929 9.339 ( -1.488 -1.307 -0.048) 1.981 9.379 ( -0.177 0.184 0.053) 0.261 9.403 ( -0.570 2.093 -0.104) 2.172 9.436 ( -1.146 -0.477 0.458) 1.323 9.552 ( -1.297 -0.183 -0.567) 1.427 ======================= Grid point 119 (52/125) ======================= q-point: (-0.22 -0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -4.253 -4.855 -0.000) 6.454 0.692 ( -3.827 0.269 0.000) 3.837 0.844 ( 0.387 -0.580 -0.000) 0.697 0.872 ( -4.529 -1.353 -0.000) 4.727 0.877 ( -4.674 2.828 0.000) 5.463 1.062 ( -1.716 2.975 0.000) 3.434 1.180 ( -0.675 -2.608 -0.000) 2.694 1.199 ( -0.771 1.148 0.000) 1.383 1.268 ( 5.021 3.035 0.000) 5.867 1.288 ( 4.000 2.049 0.000) 4.494 1.457 ( 0.596 -0.975 -0.000) 1.143 1.548 ( 4.904 -1.122 -0.000) 5.031 1.550 ( 1.402 -1.125 -0.000) 1.798 1.616 ( 4.001 0.554 0.000) 4.039 1.692 ( -2.008 -0.380 -0.000) 2.044 1.734 ( -1.695 0.207 0.000) 1.708 1.783 ( -4.963 -0.279 0.000) 4.970 1.837 ( 2.776 -5.682 -0.000) 6.324 1.842 ( -3.248 4.263 0.000) 5.360 1.947 ( -0.281 -2.508 -0.000) 2.524 1.969 ( -1.089 1.311 0.000) 1.704 2.023 ( 1.619 1.230 0.000) 2.033 2.303 ( -19.919 1.074 0.000) 19.948 2.308 ( -17.829 0.448 0.000) 17.834 2.750 ( 1.794 -0.160 -0.000) 1.801 2.761 ( 1.903 0.276 0.000) 1.923 3.070 ( -2.104 0.239 0.000) 2.117 3.085 ( -2.004 0.526 0.000) 2.072 3.154 ( -1.926 -0.947 -0.000) 2.147 3.202 ( -1.422 0.226 0.000) 1.440 3.346 ( 14.430 -0.470 -0.000) 14.438 3.357 ( 14.641 -0.415 -0.000) 14.647 4.251 ( -1.484 0.088 0.000) 1.487 4.264 ( -1.063 0.151 0.000) 1.074 4.303 ( -0.803 -0.142 -0.000) 0.815 4.308 ( -0.093 -0.157 -0.000) 0.182 4.751 ( -5.500 -0.077 0.000) 5.501 4.771 ( -5.361 0.040 0.000) 5.361 5.081 ( 2.894 -0.153 -0.000) 2.898 5.091 ( 2.108 0.083 -0.000) 2.109 7.252 ( -0.874 0.122 0.000) 0.882 7.265 ( -0.540 0.358 0.000) 0.648 9.331 ( -1.077 -1.228 -0.000) 1.634 9.344 ( -0.891 -1.931 -0.000) 2.127 9.381 ( 0.374 0.883 0.000) 0.959 9.424 ( 0.005 2.041 0.000) 2.041 9.463 ( -1.647 -0.627 -0.000) 1.762 9.567 ( -0.805 -0.441 -0.000) 0.918 ======================= Grid point 124 (53/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 9.145 -0.707 3.906) 9.969 0.724 ( 2.609 -0.474 0.696) 2.742 0.803 ( 3.267 0.398 4.460) 5.543 0.878 ( 7.026 0.582 -0.866) 7.103 0.922 ( 6.885 -1.353 -2.591) 7.480 0.982 ( -0.911 -0.333 -3.795) 3.917 1.153 ( -0.393 -0.523 3.726) 3.783 1.206 ( -0.788 -0.143 0.211) 0.828 1.274 ( -4.796 1.785 1.572) 5.353 1.322 ( -5.760 2.652 -1.090) 6.434 1.502 ( -1.717 -0.541 -2.084) 2.754 1.524 ( -0.396 -0.106 -1.752) 1.799 1.573 ( 1.249 -1.486 -0.236) 1.956 1.622 ( -5.649 -0.617 -2.420) 6.176 1.668 ( 0.747 -0.306 2.167) 2.313 1.730 ( 3.192 -0.013 1.767) 3.649 1.747 ( 3.207 -0.696 -1.901) 3.793 1.780 ( 2.693 -0.259 -0.383) 2.732 1.923 ( -0.206 -0.523 1.762) 1.849 1.934 ( -0.505 0.050 2.875) 2.919 1.996 ( -0.972 1.501 -0.678) 1.912 2.004 ( 1.083 0.144 0.144) 1.102 2.268 ( 17.992 -0.661 0.780) 18.021 2.308 ( 17.315 0.302 -0.930) 17.343 2.754 ( -1.748 0.049 0.048) 1.749 2.763 ( -1.831 0.045 -0.380) 1.871 3.062 ( 2.094 -0.253 0.138) 2.114 3.068 ( 2.431 -0.240 -0.010) 2.442 3.176 ( 1.043 0.225 0.512) 1.184 3.194 ( 1.900 -0.009 -0.124) 1.904 3.358 ( -14.395 0.198 0.228) 14.398 3.367 ( -14.506 0.094 -0.126) 14.507 4.250 ( 1.367 0.012 0.216) 1.384 4.256 ( 1.014 -0.168 0.022) 1.028 4.301 ( 0.483 0.034 0.366) 0.607 4.317 ( 0.673 0.081 -0.331) 0.755 4.756 ( 5.436 0.081 0.191) 5.440 4.769 ( 5.490 -0.052 -0.290) 5.498 5.082 ( -2.518 0.011 0.240) 2.530 5.087 ( -2.120 -0.075 0.057) 2.122 7.249 ( 0.827 -0.087 0.119) 0.840 7.255 ( 0.842 -0.113 -0.098) 0.856 9.354 ( 0.299 -0.157 0.089) 0.349 9.358 ( -0.147 -0.176 -0.099) 0.250 9.382 ( 0.386 0.274 0.252) 0.537 9.404 ( 0.836 0.110 -1.053) 1.349 9.480 ( 1.359 1.007 2.193) 2.770 9.573 ( 0.208 -0.476 -1.867) 1.938 ======================= Grid point 125 (54/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 5.507 0.000 10.676) 12.012 0.618 ( 11.086 0.000 2.855) 11.448 0.732 ( 9.942 -0.000 -4.929) 11.097 0.738 ( 2.908 0.000 3.023) 4.195 0.825 ( -0.256 -0.000 -2.234) 2.249 0.969 ( 0.718 -0.000 -7.106) 7.142 1.105 ( 8.726 0.000 4.201) 9.685 1.185 ( 3.127 -0.000 -1.868) 3.643 1.336 ( 14.582 0.000 1.932) 14.709 1.370 ( 17.302 -0.000 -0.644) 17.314 1.412 ( -5.464 0.000 2.067) 5.842 1.465 ( -6.040 -0.000 -1.268) 6.172 1.531 ( -0.466 -0.000 -2.015) 2.068 1.580 ( 1.781 -0.000 -6.039) 6.296 1.668 ( 3.577 0.000 2.768) 4.523 1.728 ( 2.775 -0.000 -1.312) 3.069 1.758 ( -6.396 0.000 0.351) 6.405 1.773 ( -6.206 -0.000 -0.943) 6.277 1.934 ( 1.774 0.000 1.434) 2.281 1.953 ( -0.464 0.000 1.550) 1.618 1.974 ( 0.716 0.000 0.726) 1.020 2.012 ( -0.756 -0.000 -1.032) 1.279 2.092 ( 2.347 0.000 2.204) 3.219 2.121 ( 2.340 0.000 0.480) 2.389 2.790 ( -2.007 -0.000 0.000) 2.007 2.797 ( -1.870 -0.000 -0.470) 1.929 3.016 ( 2.869 0.000 0.036) 2.869 3.018 ( 2.426 -0.000 -0.102) 2.428 3.145 ( 3.206 0.000 0.364) 3.227 3.153 ( 1.728 0.000 -0.007) 1.728 3.589 ( -10.280 -0.000 0.116) 10.280 3.596 ( -10.249 -0.000 -0.437) 10.258 4.228 ( 1.083 0.000 0.486) 1.187 4.236 ( 0.954 -0.000 -0.130) 0.963 4.291 ( 0.747 0.000 0.297) 0.804 4.299 ( 1.044 -0.000 -0.235) 1.070 4.657 ( 5.143 0.000 0.067) 5.143 4.663 ( 5.477 -0.000 -0.383) 5.491 5.117 ( -1.095 -0.000 0.024) 1.095 5.117 ( -1.199 -0.000 0.023) 1.199 7.235 ( 0.673 -0.000 -0.099) 0.680 7.237 ( 0.847 -0.000 -0.266) 0.888 9.341 ( 1.166 0.000 0.271) 1.197 9.354 ( 0.647 -0.000 -0.591) 0.876 9.374 ( 0.944 0.000 -0.089) 0.948 9.374 ( 1.682 -0.000 -0.102) 1.685 9.478 ( 0.396 0.000 1.688) 1.734 9.545 ( 1.364 -0.000 -3.163) 3.444 ======================= Grid point 127 (55/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( -0.000 13.074 2.098) 13.241 0.330 ( 0.000 13.276 1.264) 13.336 0.464 ( -0.000 3.712 4.420) 5.772 0.511 ( 0.000 5.493 -5.911) 8.070 0.756 ( 0.000 6.173 13.919) 15.227 0.836 ( 0.000 1.632 6.355) 6.562 0.872 ( 0.000 0.989 -11.305) 11.348 0.903 ( -0.000 2.713 -8.976) 9.377 1.126 ( -0.000 1.507 0.682) 1.654 1.132 ( -0.000 1.945 -0.682) 2.061 1.529 ( 0.000 -3.458 0.814) 3.552 1.536 ( 0.000 -2.673 -0.580) 2.735 1.579 ( -0.000 -3.093 0.740) 3.181 1.592 ( 0.000 -2.459 -2.025) 3.186 1.613 ( 0.000 0.672 2.279) 2.376 1.636 ( 0.000 0.681 -2.602) 2.689 1.899 ( -0.000 -0.931 0.824) 1.243 1.905 ( 0.000 -1.141 -0.602) 1.290 1.928 ( 0.000 1.645 2.007) 2.595 1.945 ( -0.000 1.431 -1.765) 2.272 2.008 ( -0.000 -0.328 0.638) 0.717 2.014 ( -0.000 0.979 -0.603) 1.149 2.143 ( -0.000 -1.691 4.890) 5.174 2.183 ( -0.000 -2.346 -4.155) 4.772 2.833 ( 0.000 -0.320 -0.046) 0.323 2.834 ( 0.000 -0.350 -0.132) 0.374 2.954 ( 0.000 -1.062 0.617) 1.228 2.960 ( 0.000 -1.055 -0.847) 1.353 3.059 ( 0.000 0.653 1.732) 1.851 3.075 ( 0.000 0.446 -1.923) 1.974 3.772 ( 0.000 0.805 0.806) 1.139 3.779 ( 0.000 0.746 -0.808) 1.100 4.212 ( 0.000 -0.830 0.248) 0.866 4.214 ( 0.000 -0.647 -0.121) 0.658 4.274 ( 0.000 0.379 0.144) 0.405 4.275 ( 0.000 0.521 -0.284) 0.593 4.551 ( -0.000 0.043 0.063) 0.076 4.551 ( -0.000 0.033 -0.095) 0.100 5.130 ( 0.000 0.654 0.311) 0.724 5.133 ( 0.000 0.643 -0.306) 0.712 7.220 ( 0.000 0.165 -0.059) 0.175 7.221 ( 0.000 0.161 -0.213) 0.267 9.265 ( -0.000 0.645 0.606) 0.885 9.271 ( 0.000 0.703 -0.819) 1.079 9.357 ( 0.000 1.028 0.934) 1.389 9.365 ( 0.000 1.065 -0.936) 1.418 9.477 ( 0.000 -0.749 0.319) 0.814 9.481 ( -0.000 -0.387 -0.545) 0.669 ======================= Grid point 128 (56/125) ======================= q-point: (-0.33 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -8.014 5.713 0.000) 9.842 0.535 ( -4.801 1.888 0.000) 5.159 0.672 ( -7.394 3.423 0.000) 8.148 0.687 ( -8.066 5.428 0.000) 9.722 0.836 ( -0.372 0.560 0.000) 0.673 0.871 ( -7.372 8.667 0.000) 11.378 0.916 ( -6.239 0.717 0.000) 6.280 1.059 ( -11.920 7.319 0.000) 13.988 1.138 ( -5.311 1.887 0.000) 5.636 1.237 ( -6.921 3.351 0.000) 7.690 1.458 ( 3.267 -4.081 -0.000) 5.227 1.498 ( 2.773 -2.161 -0.000) 3.516 1.539 ( 2.385 -1.701 -0.000) 2.930 1.569 ( -1.056 -1.870 -0.000) 2.147 1.630 ( -1.442 0.211 0.000) 1.458 1.672 ( -2.994 1.374 0.000) 3.294 1.815 ( 5.327 -2.707 -0.000) 5.975 1.887 ( 4.321 -0.639 -0.000) 4.368 1.926 ( -0.011 0.303 0.000) 0.304 1.951 ( 0.258 1.585 0.000) 1.606 1.998 ( 0.768 0.281 0.000) 0.817 2.032 ( -1.314 0.509 0.000) 1.409 2.067 ( 4.549 -4.335 -0.000) 6.283 2.147 ( 1.971 -1.683 -0.000) 2.592 2.818 ( 1.276 -0.189 -0.000) 1.290 2.821 ( 1.119 0.038 -0.000) 1.119 2.962 ( -2.316 -0.368 -0.000) 2.345 2.984 ( -2.367 -0.261 0.000) 2.382 3.079 ( -2.067 -0.512 -0.000) 2.130 3.113 ( -2.734 0.495 0.000) 2.779 3.720 ( 5.388 0.051 -0.000) 5.388 3.748 ( 5.092 0.489 -0.000) 5.116 4.207 ( -0.543 -0.528 -0.000) 0.757 4.222 ( -0.901 -0.418 -0.000) 0.993 4.277 ( -0.387 0.206 0.000) 0.439 4.289 ( -0.687 0.330 0.000) 0.762 4.578 ( -2.795 0.137 0.000) 2.799 4.581 ( -3.385 0.138 0.000) 3.388 5.129 ( 0.380 0.417 0.000) 0.565 5.141 ( 0.272 0.582 0.000) 0.642 7.222 ( -0.361 0.095 0.000) 0.373 7.230 ( -0.627 0.454 0.000) 0.774 9.299 ( -1.999 -0.544 -0.000) 2.071 9.302 ( -2.764 -0.032 0.000) 2.764 9.370 ( -0.377 0.419 0.000) 0.564 9.376 ( -0.559 1.560 0.000) 1.658 9.443 ( 1.083 -0.971 -0.000) 1.454 9.518 ( -2.144 0.270 0.000) 2.161 ======================= Grid point 134 (57/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 2.577 0.597 0.506) 2.693 0.803 ( 0.894 -0.562 0.036) 1.057 0.841 ( 0.654 0.245 3.053) 3.132 0.938 ( 1.169 -1.823 0.676) 2.269 1.018 ( 4.271 0.140 0.535) 4.307 1.064 ( 6.676 1.467 -1.792) 7.066 1.090 ( -5.238 -2.090 0.723) 5.685 1.157 ( -2.383 -1.056 -1.658) 3.089 1.232 ( -2.357 3.010 0.823) 3.910 1.235 ( -0.848 2.874 1.085) 3.187 1.426 ( -3.631 0.247 -0.136) 3.642 1.496 ( -2.407 0.458 -1.467) 2.856 1.533 ( -0.150 -0.477 0.639) 0.811 1.580 ( 0.182 -1.920 -2.003) 2.781 1.718 ( 0.693 -0.934 1.544) 1.933 1.763 ( 0.182 -0.488 1.251) 1.355 1.786 ( 1.364 -0.286 0.647) 1.537 1.829 ( 1.280 -1.078 0.053) 1.674 1.915 ( -1.003 1.044 0.713) 1.614 1.940 ( -0.229 0.377 1.613) 1.672 1.957 ( -0.623 1.753 -1.961) 2.703 2.020 ( 0.285 -0.453 -0.042) 0.537 2.656 ( 19.698 -0.557 0.192) 19.707 2.667 ( 18.650 -0.691 -0.006) 18.663 2.732 ( -0.242 0.215 0.133) 0.350 2.743 ( 2.226 0.177 -0.509) 2.290 3.054 ( -17.040 0.337 0.056) 17.043 3.059 ( -16.902 0.265 -0.220) 16.906 3.096 ( 0.357 -0.139 0.394) 0.550 3.106 ( 0.416 -0.160 -0.045) 0.448 3.191 ( 0.116 0.328 0.664) 0.750 3.218 ( 0.356 -0.080 -0.285) 0.462 4.271 ( 0.811 -0.051 0.032) 0.813 4.274 ( 0.649 -0.174 0.087) 0.677 4.307 ( -0.036 0.100 0.445) 0.457 4.320 ( 0.010 0.150 -0.380) 0.409 4.842 ( 3.201 0.087 0.162) 3.206 4.852 ( 2.941 -0.058 -0.185) 2.948 5.034 ( -2.136 0.197 0.384) 2.179 5.048 ( -1.728 -0.124 0.004) 1.733 7.265 ( 0.626 -0.017 0.124) 0.639 7.268 ( 0.424 -0.086 0.087) 0.441 9.355 ( -0.446 -0.432 0.119) 0.632 9.356 ( -0.331 -0.441 0.102) 0.560 9.385 ( 0.177 0.555 0.427) 0.722 9.407 ( 0.366 0.362 -1.083) 1.199 9.503 ( 0.762 1.165 1.392) 1.969 9.573 ( -0.028 -0.748 -0.799) 1.095 ======================= Grid point 135 (58/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 6.082 0.547 2.654) 6.659 0.731 ( 3.037 -1.349 0.655) 3.386 0.845 ( 2.506 0.676 4.875) 5.523 0.868 ( 8.803 2.034 -1.141) 9.106 0.906 ( 8.388 -1.948 -1.210) 8.696 0.944 ( -0.117 -1.137 -4.383) 4.529 1.180 ( -1.815 -0.285 2.128) 2.811 1.208 ( -1.379 -1.015 0.133) 1.718 1.288 ( -4.055 2.391 1.408) 4.913 1.313 ( -4.886 2.513 -1.022) 5.588 1.487 ( -0.427 -0.035 -1.329) 1.396 1.512 ( -0.353 -1.737 -0.800) 1.945 1.573 ( -1.375 -0.654 0.368) 1.567 1.600 ( -5.123 -0.264 -2.316) 5.629 1.687 ( 2.341 -0.382 2.112) 3.176 1.728 ( 4.161 -0.980 -2.093) 4.759 1.745 ( 2.951 0.815 1.332) 3.339 1.777 ( 2.766 -0.732 -0.384) 2.886 1.938 ( -0.670 0.224 1.514) 1.670 1.957 ( -1.165 -0.590 2.018) 2.404 1.988 ( -1.100 1.562 -0.750) 2.052 2.004 ( 1.161 0.031 -0.279) 1.194 2.277 ( 17.879 -0.343 1.025) 17.912 2.299 ( 17.237 -0.016 -1.114) 17.273 2.755 ( -1.724 0.067 0.143) 1.731 2.760 ( -1.764 0.031 -0.356) 1.800 3.063 ( 2.251 -0.098 0.119) 2.256 3.067 ( 2.358 -0.350 -0.038) 2.384 3.180 ( 1.268 0.509 0.407) 1.426 3.193 ( 1.576 -0.277 -0.155) 1.608 3.360 ( -14.319 0.285 0.215) 14.323 3.366 ( -14.426 0.031 -0.148) 14.427 4.251 ( 1.275 0.114 0.157) 1.290 4.256 ( 1.071 -0.238 -0.002) 1.097 4.305 ( 0.544 0.060 0.436) 0.700 4.313 ( 0.619 0.055 -0.412) 0.745 4.758 ( 5.513 0.235 0.200) 5.522 4.766 ( 5.491 -0.208 -0.265) 5.501 5.084 ( -2.412 0.065 0.188) 2.421 5.087 ( -2.129 -0.096 0.006) 2.131 7.250 ( 0.919 -0.001 0.114) 0.926 7.254 ( 0.904 -0.194 -0.100) 0.930 9.355 ( 0.253 -0.103 0.113) 0.295 9.357 ( 0.039 -0.081 -0.128) 0.157 9.385 ( 0.463 0.156 0.404) 0.634 9.396 ( 0.655 0.076 -0.797) 1.035 9.499 ( 1.375 1.563 1.962) 2.860 9.556 ( 0.617 -1.049 -1.864) 2.226 ======================= Grid point 136 (59/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 2.414 -0.000 8.413) 8.753 0.647 ( 9.399 0.000 3.280) 9.955 0.693 ( 10.957 -0.000 -3.145) 11.399 0.722 ( 2.688 0.000 -5.967) 6.544 0.843 ( 2.265 0.000 5.713) 6.146 0.904 ( 1.757 -0.000 -7.348) 7.556 1.139 ( 7.626 -0.000 3.415) 8.356 1.165 ( 5.522 -0.000 -2.606) 6.106 1.352 ( 14.629 -0.000 1.479) 14.704 1.363 ( 15.684 0.000 -0.974) 15.714 1.432 ( -5.492 -0.000 2.307) 5.957 1.451 ( -5.912 -0.000 -1.884) 6.205 1.522 ( 0.570 0.000 0.187) 0.600 1.537 ( 1.645 -0.000 -3.336) 3.720 1.692 ( 3.327 0.000 2.634) 4.243 1.713 ( 3.173 -0.000 -2.045) 3.775 1.761 ( -6.464 -0.000 0.429) 6.478 1.766 ( -6.528 -0.000 -0.666) 6.561 1.946 ( 2.420 -0.000 1.178) 2.691 1.955 ( 2.213 0.000 -0.680) 2.316 1.987 ( -1.151 0.000 1.758) 2.101 2.002 ( -1.057 -0.000 -1.414) 1.766 2.110 ( 1.588 -0.000 1.665) 2.301 2.120 ( 1.513 0.000 -0.618) 1.634 2.791 ( -1.944 0.000 0.150) 1.949 2.793 ( -1.892 -0.000 -0.332) 1.921 3.016 ( 2.762 -0.000 0.076) 2.763 3.017 ( 2.605 0.000 -0.105) 2.607 3.149 ( 2.771 -0.000 0.371) 2.796 3.152 ( 2.241 0.000 -0.238) 2.253 3.590 ( -10.172 0.000 0.216) 10.174 3.593 ( -10.146 -0.000 -0.337) 10.151 4.231 ( 1.004 0.000 0.374) 1.071 4.234 ( 0.971 -0.000 -0.240) 1.000 4.294 ( 0.832 -0.000 0.312) 0.889 4.296 ( 0.938 0.000 -0.287) 0.981 4.658 ( 5.282 0.000 0.163) 5.285 4.660 ( 5.406 -0.000 -0.283) 5.413 5.117 ( -1.105 -0.184 0.009) 1.120 5.117 ( -1.101 0.184 0.011) 1.116 7.234 ( 0.799 -0.000 0.023) 0.800 7.235 ( 0.859 0.000 -0.168) 0.876 9.344 ( 1.127 0.000 0.408) 1.198 9.349 ( 0.953 -0.000 -0.537) 1.093 9.373 ( 1.152 -0.461 -0.036) 1.241 9.373 ( 1.261 0.461 -0.035) 1.343 9.496 ( 1.007 0.000 2.237) 2.453 9.518 ( 1.390 -0.000 -2.779) 3.107 ======================= Grid point 144 (60/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -3.919 -1.122 0.849) 4.164 0.781 ( -2.431 -0.798 -1.385) 2.909 0.870 ( -0.531 0.544 4.652) 4.714 0.976 ( -2.333 1.841 1.496) 3.328 0.999 ( 0.653 -1.576 -2.635) 3.139 1.047 ( -2.963 -1.727 2.568) 4.284 1.109 ( -0.833 -0.710 -4.387) 4.521 1.167 ( -1.216 -1.926 -1.440) 2.695 1.207 ( 3.569 4.805 0.438) 6.001 1.214 ( 3.898 4.512 -0.345) 5.973 1.406 ( 1.125 -1.044 1.447) 2.109 1.471 ( 0.525 -1.087 -1.509) 1.933 1.567 ( 1.840 -0.462 1.102) 2.194 1.614 ( 3.248 0.013 0.307) 3.263 1.742 ( 1.530 -0.426 0.341) 1.624 1.775 ( -0.850 -1.721 2.430) 3.097 1.796 ( -0.387 -0.111 0.087) 0.412 1.842 ( -0.589 -0.480 0.553) 0.939 1.881 ( -1.164 3.245 -0.507) 3.484 1.917 ( -0.289 0.949 -0.845) 1.303 1.947 ( -0.657 -1.239 -0.599) 1.525 2.015 ( -1.127 -0.106 -0.416) 1.206 2.684 ( -19.371 0.860 0.233) 19.391 2.691 ( -19.124 0.847 -0.266) 19.145 2.729 ( 0.174 0.129 0.070) 0.228 2.738 ( -0.787 -0.437 0.053) 0.902 3.040 ( 17.772 -0.401 0.113) 17.777 3.046 ( 17.670 -0.452 -0.199) 17.677 3.104 ( -0.230 0.196 0.423) 0.520 3.111 ( -0.286 0.204 -0.242) 0.426 3.188 ( -0.534 0.209 0.538) 0.786 3.214 ( -0.736 -0.230 -0.432) 0.884 4.277 ( -0.516 0.119 0.075) 0.534 4.277 ( -0.305 0.083 0.032) 0.318 4.303 ( -0.281 0.185 -0.016) 0.336 4.316 ( -0.253 -0.260 -0.014) 0.363 4.843 ( -3.156 0.103 0.120) 3.160 4.851 ( -3.020 -0.129 -0.092) 3.024 5.034 ( 2.166 0.259 0.274) 2.199 5.049 ( 1.798 -0.028 -0.081) 1.801 7.269 ( -0.221 0.158 0.141) 0.306 7.271 ( -0.124 0.173 -0.024) 0.214 9.348 ( -0.864 -0.851 0.186) 1.226 9.355 ( -0.378 -1.018 0.205) 1.105 9.385 ( 0.038 0.685 0.570) 0.892 9.402 ( -0.030 0.460 -1.221) 1.305 9.498 ( -0.584 1.406 0.445) 1.587 9.577 ( -0.025 -0.935 0.010) 0.935 ======================= Grid point 145 (61/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 2.286 1.031 0.198) 2.516 0.803 ( 1.293 -0.551 -0.055) 1.407 0.863 ( 0.849 1.246 1.476) 2.110 0.943 ( 0.665 -3.419 0.412) 3.508 1.020 ( 6.008 2.714 0.005) 6.592 1.050 ( 5.130 0.581 -0.956) 5.251 1.096 ( -4.890 -1.791 0.418) 5.225 1.146 ( -2.524 -2.131 -0.709) 3.379 1.236 ( -2.795 3.113 0.245) 4.191 1.243 ( -1.541 2.667 0.392) 3.105 1.431 ( -3.142 0.652 0.823) 3.313 1.482 ( -3.282 -0.777 -1.273) 3.605 1.543 ( 0.804 -0.618 1.501) 1.812 1.561 ( 1.306 -0.921 -2.070) 2.615 1.728 ( 0.431 0.066 0.603) 0.744 1.773 ( 0.330 -2.221 0.962) 2.443 1.786 ( 1.748 0.843 -0.391) 1.980 1.830 ( 1.626 -0.977 0.166) 1.905 1.924 ( -1.268 1.363 1.390) 2.323 1.939 ( -1.182 1.327 -1.910) 2.609 1.952 ( -0.473 0.667 0.848) 1.177 2.018 ( 0.167 -0.637 -0.178) 0.682 2.657 ( 18.864 -0.395 0.097) 18.868 2.667 ( 20.068 -0.857 -0.022) 20.086 2.733 ( 0.045 0.314 0.144) 0.349 2.740 ( 1.454 0.065 -0.294) 1.485 3.054 ( -17.001 0.366 0.061) 17.005 3.057 ( -16.628 0.205 -0.122) 16.630 3.100 ( 0.135 0.003 0.262) 0.295 3.105 ( 0.436 -0.220 -0.130) 0.505 3.196 ( 0.237 0.671 0.338) 0.787 3.216 ( 0.135 -0.342 -0.185) 0.412 4.271 ( 0.827 -0.022 0.014) 0.828 4.274 ( 0.623 -0.162 0.033) 0.645 4.311 ( -0.115 0.187 0.394) 0.451 4.317 ( 0.096 0.065 -0.369) 0.386 4.843 ( 3.201 0.193 0.088) 3.208 4.851 ( 2.941 -0.161 -0.097) 2.947 5.037 ( -2.018 0.367 0.171) 2.058 5.047 ( -1.789 -0.199 -0.017) 1.800 7.266 ( 0.618 0.057 0.050) 0.622 7.269 ( 0.474 -0.105 0.034) 0.487 9.355 ( -0.417 -0.463 0.060) 0.626 9.357 ( -0.192 -0.256 0.024) 0.321 9.390 ( 0.206 0.608 0.559) 0.851 9.398 ( 0.189 0.094 -0.785) 0.813 9.512 ( 0.598 1.667 0.609) 1.872 9.567 ( 0.236 -1.128 -0.404) 1.221 ======================= Grid point 146 (62/125) ======================= q-point: ( 0.44 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 4.220 1.390 0.000) 4.443 0.734 ( 3.576 -2.035 -0.000) 4.114 0.860 ( 7.944 2.649 0.000) 8.374 0.884 ( 2.834 1.451 0.000) 3.184 0.893 ( 9.060 -0.491 -0.000) 9.074 0.917 ( 1.322 -3.880 -0.000) 4.099 1.190 ( -2.383 0.306 0.000) 2.403 1.208 ( -1.737 -1.903 -0.000) 2.577 1.296 ( -3.878 3.153 0.000) 4.998 1.306 ( -4.318 1.992 0.000) 4.755 1.480 ( 0.189 0.645 0.000) 0.672 1.509 ( -0.048 -3.095 -0.000) 3.095 1.578 ( -3.958 0.405 0.000) 3.979 1.586 ( -3.619 -0.604 -0.000) 3.669 1.702 ( 2.560 0.216 -0.000) 2.569 1.714 ( 4.700 -1.746 -0.000) 5.013 1.751 ( 2.709 1.529 0.000) 3.111 1.774 ( 2.997 -1.311 -0.000) 3.271 1.946 ( -0.507 0.858 0.000) 0.997 1.966 ( -2.233 -1.545 -0.000) 2.716 1.986 ( -0.663 2.070 0.000) 2.173 2.002 ( 1.271 -0.121 -0.000) 1.277 2.284 ( 18.132 0.209 -0.000) 18.133 2.291 ( 16.901 -0.567 -0.000) 16.911 2.756 ( -1.718 0.140 0.000) 1.724 2.757 ( -1.734 -0.040 0.000) 1.735 3.064 ( 2.345 0.004 -0.000) 2.345 3.067 ( 2.297 -0.435 -0.000) 2.338 3.182 ( 1.450 0.749 0.000) 1.632 3.192 ( 1.357 -0.510 -0.000) 1.449 3.361 ( -14.280 0.389 0.000) 14.285 3.365 ( -14.403 -0.063 0.000) 14.403 4.252 ( 1.228 0.182 0.000) 1.242 4.256 ( 1.104 -0.294 -0.000) 1.142 4.308 ( 0.668 0.161 0.000) 0.687 4.310 ( 0.497 -0.045 -0.000) 0.499 4.759 ( 5.565 0.393 -0.000) 5.579 4.765 ( 5.469 -0.367 -0.000) 5.481 5.085 ( -2.365 0.122 0.000) 2.368 5.087 ( -2.138 -0.138 0.000) 2.143 7.251 ( 0.964 0.083 -0.000) 0.967 7.254 ( 0.920 -0.276 -0.000) 0.961 9.356 ( 0.166 -0.109 -0.000) 0.199 9.356 ( 0.180 -0.016 -0.000) 0.181 9.388 ( 0.679 0.070 -0.000) 0.682 9.390 ( 0.406 0.105 0.000) 0.419 9.510 ( 1.350 2.414 0.000) 2.766 9.545 ( 0.800 -1.907 -0.000) 2.068 ======================= Grid point 154 (63/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -4.005 -1.539 1.801) 4.653 0.726 ( -3.122 -0.592 -2.118) 3.818 0.754 ( -8.074 5.593 -0.469) 9.833 0.945 ( -2.303 0.956 2.845) 3.783 1.001 ( -3.861 -0.699 3.189) 5.056 1.041 ( 3.796 1.110 -0.993) 4.077 1.066 ( -2.346 -0.930 -3.936) 4.675 1.163 ( -0.138 -2.293 -0.985) 2.500 1.244 ( 3.534 2.980 0.247) 4.629 1.262 ( 4.177 1.036 -0.752) 4.368 1.482 ( 2.622 -2.337 2.475) 4.297 1.503 ( 2.512 -2.329 -1.953) 3.943 1.608 ( 1.688 -0.151 -0.069) 1.696 1.682 ( 3.237 1.343 0.881) 3.613 1.757 ( -0.477 1.691 1.183) 2.119 1.766 ( -4.515 -2.801 0.181) 5.316 1.797 ( -2.195 4.149 1.175) 4.839 1.804 ( 0.177 1.854 0.340) 1.893 1.839 ( 0.420 -1.003 -1.279) 1.678 1.926 ( 1.332 -1.178 -1.107) 2.095 1.948 ( 0.104 -2.147 0.548) 2.218 1.970 ( -2.968 0.944 -1.086) 3.298 2.304 ( -19.766 0.435 -0.022) 19.771 2.305 ( -18.376 1.062 -0.011) 18.407 2.754 ( 1.873 0.111 0.049) 1.877 2.764 ( 1.998 -0.129 0.050) 2.003 3.076 ( -2.460 0.394 0.088) 2.493 3.085 ( -1.506 0.659 -0.006) 1.644 3.169 ( -1.317 -0.126 0.489) 1.411 3.182 ( -2.142 -0.450 -0.577) 2.263 3.348 ( 14.533 -0.242 0.022) 14.535 3.358 ( 14.543 -0.443 0.013) 14.550 4.254 ( -1.597 0.301 0.049) 1.626 4.262 ( -1.110 0.168 -0.044) 1.123 4.297 ( -0.306 0.055 -0.053) 0.315 4.312 ( -0.509 -0.348 0.043) 0.618 4.757 ( -5.340 0.152 0.110) 5.343 4.768 ( -5.502 -0.177 -0.077) 5.506 5.083 ( 2.623 0.196 0.027) 2.630 5.090 ( 2.295 0.125 -0.007) 2.298 7.258 ( -0.746 0.332 0.203) 0.841 7.261 ( -0.705 0.249 -0.185) 0.770 9.339 ( -1.029 -1.342 0.124) 1.695 9.362 ( -0.556 -2.336 0.360) 2.428 9.375 ( -0.592 0.909 0.026) 1.085 9.395 ( 0.469 0.901 -0.639) 1.200 9.465 ( -1.825 1.655 0.043) 2.464 9.585 ( -0.106 -1.080 0.229) 1.109 ======================= Grid point 155 (64/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -3.097 -0.735 -0.000) 3.183 0.773 ( -3.398 -0.985 -0.000) 3.538 0.895 ( -0.482 1.902 0.000) 1.962 0.981 ( -0.700 -2.917 -0.000) 3.000 0.986 ( -0.586 2.494 0.000) 2.562 1.068 ( 0.082 -0.821 -0.000) 0.825 1.080 ( -3.880 -1.519 -0.000) 4.167 1.159 ( -1.920 -2.517 -0.000) 3.166 1.210 ( 4.093 5.074 0.000) 6.519 1.211 ( 3.211 4.282 0.000) 5.352 1.416 ( 1.517 -0.842 -0.000) 1.735 1.461 ( 0.403 -1.458 -0.000) 1.512 1.572 ( 1.343 -0.739 -0.000) 1.533 1.616 ( 4.163 0.415 -0.000) 4.183 1.743 ( 1.641 -0.031 -0.000) 1.641 1.789 ( -1.596 -4.328 -0.000) 4.613 1.793 ( 0.522 2.008 0.000) 2.074 1.845 ( -0.452 -0.149 -0.000) 0.476 1.880 ( -1.253 4.802 0.000) 4.963 1.911 ( -0.406 -0.167 -0.000) 0.439 1.946 ( -1.026 -1.477 -0.000) 1.799 2.013 ( -1.224 -0.102 0.000) 1.228 2.686 ( -19.794 0.849 0.000) 19.812 2.689 ( -18.664 0.906 0.000) 18.686 2.729 ( 0.283 0.151 0.000) 0.320 2.738 ( -0.917 -0.509 -0.000) 1.049 3.040 ( 17.729 -0.345 -0.000) 17.732 3.045 ( 17.685 -0.531 -0.000) 17.693 3.107 ( 0.119 0.321 0.000) 0.342 3.109 ( -0.605 0.133 0.000) 0.619 3.191 ( -0.420 0.446 0.000) 0.613 3.211 ( -0.850 -0.414 -0.000) 0.945 4.277 ( -0.435 0.098 0.000) 0.446 4.277 ( -0.368 0.128 0.000) 0.390 4.303 ( -0.366 0.243 0.000) 0.439 4.316 ( -0.192 -0.311 -0.000) 0.366 4.843 ( -3.119 0.149 0.000) 3.122 4.851 ( -3.037 -0.175 0.000) 3.042 5.035 ( 2.165 0.369 0.000) 2.196 5.048 ( 1.782 -0.067 -0.000) 1.783 7.270 ( -0.106 0.154 0.000) 0.187 7.271 ( -0.246 0.216 0.000) 0.327 9.349 ( -0.861 -0.881 -0.000) 1.232 9.356 ( -0.273 -0.881 -0.000) 0.923 9.391 ( 0.447 0.950 0.000) 1.050 9.392 ( -0.570 0.044 0.000) 0.572 9.500 ( -0.631 1.582 0.000) 1.703 9.577 ( 0.069 -1.018 -0.000) 1.021 ======================= Grid point 163 (65/125) ======================= q-point: ( 0.22 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -8.897 8.661 0.000) 12.417 0.607 ( -6.816 2.161 0.000) 7.150 0.664 ( -3.316 1.162 0.000) 3.514 0.903 ( -5.992 2.975 0.000) 6.690 0.925 ( 1.217 1.145 0.000) 1.671 1.009 ( -3.465 0.602 0.000) 3.517 1.100 ( 2.714 0.669 0.000) 2.795 1.167 ( -1.954 -1.669 -0.000) 2.569 1.285 ( -0.899 -0.671 -0.000) 1.121 1.315 ( -2.960 -0.307 0.000) 2.976 1.479 ( -2.398 -1.365 -0.000) 2.759 1.520 ( -10.786 3.196 0.000) 11.249 1.584 ( -2.731 1.464 0.000) 3.099 1.642 ( 1.783 -4.504 -0.000) 4.844 1.661 ( -4.116 1.947 0.000) 4.554 1.729 ( -0.583 -0.700 -0.000) 0.912 1.765 ( 1.413 1.451 0.000) 2.026 1.854 ( 3.397 0.677 0.000) 3.464 1.859 ( 1.585 -0.625 -0.000) 1.704 1.900 ( -0.872 1.104 0.000) 1.407 1.965 ( 1.757 -1.554 -0.000) 2.346 2.010 ( -2.384 -4.526 -0.000) 5.115 2.041 ( -1.632 2.451 0.000) 2.945 2.077 ( -6.213 -0.399 0.000) 6.226 2.790 ( 2.020 0.052 -0.000) 2.020 2.804 ( 1.996 -0.085 -0.000) 1.998 3.017 ( -3.361 0.146 0.000) 3.365 3.045 ( -2.147 0.734 0.000) 2.269 3.129 ( -3.564 -0.506 -0.000) 3.600 3.146 ( -1.388 -0.235 -0.000) 1.408 3.582 ( 10.572 -0.273 -0.000) 10.575 3.594 ( 10.408 -0.505 -0.000) 10.421 4.221 ( -1.635 0.177 0.000) 1.644 4.239 ( -1.182 -0.075 0.000) 1.185 4.289 ( -0.521 0.132 0.000) 0.538 4.303 ( -0.666 -0.034 0.000) 0.667 4.659 ( -4.951 0.133 0.000) 4.953 4.665 ( -5.481 -0.171 0.000) 5.484 5.119 ( 1.422 0.170 -0.000) 1.433 5.123 ( 1.288 0.298 0.000) 1.322 7.242 ( -0.645 0.249 0.000) 0.692 7.244 ( -0.821 0.084 0.000) 0.825 9.332 ( -0.975 -1.674 -0.000) 1.937 9.341 ( -2.169 -0.554 -0.000) 2.239 9.388 ( 1.011 -1.787 -0.000) 2.053 9.393 ( -0.100 0.895 0.000) 0.901 9.412 ( -1.924 2.089 0.000) 2.840 9.589 ( -0.639 -1.274 -0.000) 1.426 ======================= Grid point 172 (66/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( -0.000 11.891 0.000) 11.891 0.458 ( -0.000 12.996 0.000) 12.996 0.601 ( -0.000 7.604 0.000) 7.604 0.637 ( -0.000 18.471 0.000) 18.471 0.810 ( -0.000 4.502 0.000) 4.502 0.825 ( -0.000 11.504 0.000) 11.504 0.972 ( 0.000 -4.510 -0.000) 4.510 1.098 ( 0.000 -2.932 -0.000) 2.932 1.146 ( -0.000 0.854 0.000) 0.854 1.195 ( -0.000 1.818 0.000) 1.818 1.450 ( 0.000 -4.852 -0.000) 4.852 1.453 ( 0.000 -4.164 -0.000) 4.164 1.572 ( 0.000 -2.649 -0.000) 2.649 1.581 ( -0.000 1.555 0.000) 1.555 1.685 ( 0.000 -0.464 -0.000) 0.464 1.768 ( 0.000 -4.689 -0.000) 4.689 1.808 ( 0.000 -0.289 -0.000) 0.289 1.895 ( 0.000 -2.206 -0.000) 2.206 1.908 ( 0.000 -1.686 -0.000) 1.686 1.913 ( 0.000 -0.321 -0.000) 0.321 1.931 ( -0.000 1.447 0.000) 1.447 1.992 ( 0.000 -0.318 -0.000) 0.318 2.014 ( 0.000 -0.301 -0.000) 0.301 2.271 ( 0.000 -3.964 -0.000) 3.964 2.836 ( 0.000 -0.026 -0.000) 0.026 2.848 ( -0.000 0.095 0.000) 0.095 2.931 ( 0.000 -0.710 -0.000) 0.710 2.962 ( 0.000 -1.627 -0.000) 1.627 3.043 ( -0.000 0.742 0.000) 0.742 3.113 ( 0.000 -0.629 -0.000) 0.629 3.769 ( -0.000 0.913 0.000) 0.913 3.788 ( 0.000 -0.139 -0.000) 0.139 4.185 ( 0.000 -0.052 -0.000) 0.052 4.207 ( 0.000 -0.613 -0.000) 0.613 4.276 ( -0.000 0.287 0.000) 0.287 4.297 ( 0.000 -0.196 -0.000) 0.196 4.551 ( -0.000 0.079 0.000) 0.079 4.554 ( 0.000 -0.003 -0.000) 0.003 5.134 ( -0.000 0.749 0.000) 0.749 5.138 ( -0.000 0.280 0.000) 0.280 7.227 ( 0.000 -0.113 -0.000) 0.113 7.230 ( 0.000 -0.155 -0.000) 0.155 9.263 ( -0.000 0.356 0.000) 0.356 9.306 ( 0.000 -0.844 -0.000) 0.844 9.347 ( -0.000 0.809 0.000) 0.809 9.412 ( -0.000 2.060 0.000) 2.060 9.448 ( 0.000 -1.776 -0.000) 1.776 9.523 ( 0.000 -0.341 -0.000) 0.341 ======================= Grid point 173 (67/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -6.899 9.597 0.321) 11.824 0.569 ( -2.336 9.625 1.264) 9.985 0.656 ( -0.447 5.122 1.253) 5.291 0.848 ( -2.012 5.627 -3.648) 7.002 0.896 ( -6.441 3.257 1.832) 7.446 0.961 ( -3.793 0.144 -0.243) 3.803 1.084 ( -6.693 3.527 -2.521) 7.974 1.113 ( -11.202 5.137 3.729) 12.875 1.140 ( -0.170 1.457 -2.346) 2.767 1.238 ( -3.364 1.692 1.800) 4.174 1.412 ( -0.278 -4.048 0.158) 4.060 1.438 ( -1.825 -6.764 -0.157) 7.008 1.529 ( 0.077 -1.370 -0.572) 1.487 1.622 ( -2.068 1.575 -0.267) 2.614 1.676 ( 2.129 -2.868 -0.704) 3.640 1.707 ( 0.013 -1.664 -0.881) 1.882 1.793 ( 1.495 0.446 -0.574) 1.662 1.876 ( 0.811 -1.322 -0.235) 1.568 1.892 ( 0.458 -1.067 0.827) 1.426 1.913 ( -0.051 -0.935 1.400) 1.684 1.936 ( 0.185 0.026 -0.829) 0.850 1.987 ( 0.192 -1.009 1.800) 2.073 2.010 ( -0.102 -0.213 0.682) 0.722 2.151 ( 7.090 -1.735 -0.946) 7.360 2.823 ( 1.332 0.130 -0.061) 1.340 2.835 ( 1.299 0.028 -0.143) 1.307 2.956 ( -2.935 -0.308 -0.004) 2.951 2.993 ( -3.413 -1.206 -0.247) 3.629 3.069 ( -2.235 0.596 0.079) 2.314 3.119 ( -1.119 -0.597 0.051) 1.269 3.730 ( 5.407 -0.068 -0.576) 5.438 3.736 ( 5.296 -0.172 0.683) 5.343 4.196 ( -1.092 0.029 0.071) 1.094 4.214 ( -1.133 -0.551 0.002) 1.260 4.282 ( -0.345 0.266 -0.008) 0.435 4.296 ( -0.145 -0.020 -0.052) 0.155 4.581 ( -3.195 0.125 -0.005) 3.198 4.584 ( -3.074 0.058 0.002) 3.075 5.137 ( 0.419 0.318 -0.132) 0.542 5.140 ( 0.298 0.385 0.235) 0.541 7.230 ( -0.492 -0.046 -0.205) 0.535 7.233 ( -0.484 -0.005 0.177) 0.515 9.289 ( -2.248 -0.895 0.014) 2.419 9.302 ( -0.718 -1.690 -0.154) 1.843 9.374 ( -1.596 1.429 -0.024) 2.143 9.408 ( 1.684 -0.482 -0.046) 1.752 9.425 ( 0.427 2.087 0.227) 2.143 9.549 ( -2.090 -1.524 -0.462) 2.627 ======================= Grid point 174 (68/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -3.443 4.547 -3.124) 6.503 0.674 ( -4.093 3.362 1.905) 5.629 0.709 ( -1.034 3.593 3.525) 5.138 0.877 ( -2.635 -0.368 -5.840) 6.418 0.963 ( -1.013 1.726 0.405) 2.042 1.026 ( -2.309 -0.839 1.841) 3.070 1.109 ( 1.980 1.542 -0.054) 2.511 1.150 ( -0.578 -0.810 0.732) 1.235 1.295 ( 0.112 1.533 0.082) 1.539 1.329 ( 0.693 1.149 2.852) 3.152 1.446 ( -2.872 -2.096 -0.361) 3.574 1.546 ( -14.045 -1.944 0.110) 14.179 1.569 ( 4.575 -2.165 -1.130) 5.186 1.605 ( -5.575 0.630 -0.011) 5.610 1.689 ( -4.504 1.044 -0.904) 4.711 1.728 ( -2.147 0.465 1.827) 2.857 1.781 ( -0.635 2.142 -2.649) 3.466 1.822 ( 2.927 0.457 -4.141) 5.091 1.873 ( 2.229 -0.552 0.515) 2.354 1.913 ( -1.814 0.189 1.166) 2.165 1.945 ( -0.256 -2.985 0.173) 3.001 1.978 ( 1.673 -0.336 3.833) 4.196 2.057 ( -6.177 -0.453 -0.706) 6.233 2.071 ( -4.246 -0.014 0.568) 4.284 2.792 ( 2.024 0.199 -0.156) 2.040 2.802 ( 2.040 -0.020 -0.049) 2.040 3.021 ( -3.668 0.326 -0.012) 3.683 3.047 ( -2.984 -0.228 -0.262) 3.004 3.120 ( -2.755 -0.219 -0.727) 2.858 3.146 ( -1.967 -0.197 0.959) 2.197 3.578 ( 10.498 -0.176 -0.239) 10.503 3.588 ( 10.568 -0.426 0.204) 10.578 4.224 ( -1.738 0.179 -0.049) 1.748 4.237 ( -1.547 -0.229 0.076) 1.566 4.291 ( -0.439 0.160 -0.057) 0.470 4.301 ( -0.435 -0.145 0.035) 0.459 4.659 ( -4.996 0.104 -0.266) 5.004 4.665 ( -5.313 0.006 0.243) 5.319 5.122 ( 1.431 0.215 0.007) 1.447 5.126 ( 1.462 0.155 -0.007) 1.470 7.242 ( -0.905 0.101 -0.339) 0.971 7.249 ( -0.864 0.217 0.371) 0.965 9.307 ( -1.149 -1.410 -0.203) 1.830 9.317 ( -1.770 -1.919 -0.240) 2.621 9.385 ( 0.389 0.855 0.080) 0.943 9.408 ( -0.114 0.357 0.778) 0.864 9.448 ( -1.270 2.662 -0.219) 2.958 9.561 ( -1.036 -1.830 -0.569) 2.178 ======================= Grid point 175 (69/125) ======================= q-point: ( 0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -2.494 -1.558 -2.433) 3.817 0.736 ( -1.964 -0.945 3.369) 4.012 0.810 ( -3.902 2.440 -4.818) 6.662 0.919 ( -3.701 0.834 -1.915) 4.250 0.962 ( -0.541 -0.369 -4.117) 4.169 1.069 ( 0.680 0.131 2.032) 2.147 1.091 ( -1.007 -0.566 3.975) 4.139 1.149 ( 0.085 -1.850 4.062) 4.464 1.297 ( 1.979 4.765 -0.427) 5.177 1.332 ( 2.852 4.519 2.024) 5.715 1.432 ( 2.508 -2.034 -0.722) 3.308 1.477 ( 1.437 -2.447 0.260) 2.850 1.603 ( 2.034 -0.277 -0.600) 2.139 1.671 ( 2.776 -2.505 -0.984) 3.866 1.696 ( -2.957 -1.640 -2.122) 3.992 1.769 ( 1.080 0.333 -1.567) 1.932 1.795 ( -0.834 1.308 -2.954) 3.337 1.820 ( 0.570 -1.403 -1.389) 2.055 1.862 ( -3.083 0.965 0.446) 3.261 1.915 ( -0.478 0.548 -0.106) 0.735 1.957 ( -0.082 0.788 3.504) 3.592 1.991 ( -1.006 -0.100 1.906) 2.158 2.313 ( -19.444 0.450 -0.008) 19.449 2.317 ( -19.615 0.550 0.013) 19.623 2.754 ( 1.924 0.059 -0.306) 1.949 2.764 ( 2.025 0.047 0.138) 2.030 3.080 ( -2.170 0.313 -0.351) 2.220 3.092 ( -1.826 0.194 0.034) 1.837 3.156 ( -1.904 -0.381 -0.996) 2.182 3.187 ( -1.623 -0.034 1.137) 1.981 3.344 ( 14.482 -0.101 -0.177) 14.484 3.352 ( 14.532 -0.362 -0.001) 14.537 4.256 ( -1.575 0.171 -0.220) 1.599 4.264 ( -1.247 0.056 0.105) 1.253 4.299 ( -0.383 0.126 0.069) 0.409 4.307 ( -0.344 -0.303 -0.046) 0.461 4.757 ( -5.389 0.060 -0.347) 5.400 4.768 ( -5.404 -0.056 0.254) 5.411 5.084 ( 2.728 0.099 -0.277) 2.744 5.092 ( 2.293 0.032 0.038) 2.294 7.259 ( -0.836 0.146 -0.307) 0.903 7.267 ( -0.585 0.207 0.208) 0.655 9.320 ( -1.273 -0.819 -0.262) 1.536 9.327 ( -1.201 -1.429 -0.491) 1.930 9.391 ( 0.169 0.885 0.180) 0.919 9.412 ( 0.012 0.249 1.215) 1.240 9.491 ( -1.198 1.987 -0.750) 2.438 9.561 ( -0.683 -1.598 -0.270) 1.759 ======================= Grid point 176 (70/125) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -6.505 -1.031 -1.606) 6.779 0.783 ( -1.908 -0.548 1.686) 2.604 0.813 ( 0.272 -0.402 -6.121) 6.141 0.979 ( -1.879 0.809 -2.708) 3.394 0.989 ( -4.226 -0.740 -3.233) 5.372 1.022 ( 3.194 -0.655 3.646) 4.891 1.152 ( -0.838 0.361 2.936) 3.075 1.162 ( -0.045 -0.738 3.560) 3.636 1.269 ( 4.008 2.874 -0.327) 4.943 1.274 ( 4.694 2.293 -0.306) 5.233 1.394 ( 0.143 -0.288 1.596) 1.628 1.469 ( -1.365 -0.741 0.817) 1.755 1.557 ( 2.699 1.143 -1.627) 3.352 1.589 ( 2.265 -2.031 -1.387) 3.343 1.696 ( -0.758 -1.974 -2.493) 3.269 1.745 ( 0.101 -0.021 -1.317) 1.321 1.802 ( -0.113 0.865 -1.832) 2.029 1.818 ( -0.970 -1.137 -1.192) 1.911 1.906 ( -1.173 0.309 1.192) 1.701 1.932 ( -0.141 0.377 -0.799) 0.895 1.976 ( 0.059 1.650 2.540) 3.029 2.010 ( -0.697 -0.906 0.519) 1.255 2.692 ( -19.743 0.360 -0.222) 19.747 2.699 ( -17.715 0.125 -0.102) 17.715 2.730 ( -2.096 0.109 0.048) 2.099 2.735 ( 0.841 -0.014 0.138) 0.852 3.034 ( 18.039 -0.179 -0.143) 18.040 3.045 ( 17.586 -0.110 0.377) 17.591 3.101 ( -0.182 -0.001 -0.523) 0.553 3.114 ( -0.071 0.057 0.006) 0.091 3.181 ( -0.918 -0.071 -0.977) 1.343 3.218 ( -0.579 0.010 0.639) 0.862 4.277 ( -0.151 -0.002 -0.115) 0.190 4.277 ( -0.425 0.020 -0.125) 0.443 4.304 ( -0.048 0.023 -0.222) 0.228 4.315 ( -0.691 -0.022 0.235) 0.730 4.842 ( -3.225 0.012 -0.244) 3.234 4.852 ( -3.017 -0.023 0.198) 3.024 5.032 ( 2.134 0.028 -0.655) 2.232 5.049 ( 1.888 -0.013 0.097) 1.890 7.269 ( -0.248 0.058 -0.230) 0.343 7.272 ( 0.144 0.030 -0.099) 0.177 9.336 ( -1.032 -0.397 -0.348) 1.159 9.338 ( -0.998 -0.476 -0.358) 1.162 9.391 ( 0.230 0.363 -0.123) 0.447 9.421 ( 0.133 0.238 1.567) 1.591 9.509 ( -0.114 0.860 -1.722) 1.928 9.564 ( -0.627 -0.718 0.514) 1.083 ======================= Grid point 177 (71/125) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 2.187 -0.000 -1.099) 2.448 0.796 ( 1.889 -0.000 -0.232) 1.903 0.806 ( -0.388 -0.000 -3.645) 3.666 0.921 ( 0.964 -0.000 -0.185) 0.982 1.003 ( 3.519 -0.000 -1.820) 3.962 1.069 ( -2.977 -0.000 -0.269) 2.989 1.089 ( 4.086 0.000 0.660) 4.139 1.175 ( -1.293 0.000 3.129) 3.386 1.243 ( 0.872 -0.000 -2.286) 2.447 1.256 ( -2.087 -0.000 -0.271) 2.104 1.445 ( -4.302 0.000 3.199) 5.361 1.510 ( -1.612 -0.000 -0.207) 1.625 1.534 ( -2.553 0.000 1.229) 2.834 1.561 ( -0.192 -0.000 -0.228) 0.298 1.685 ( 0.601 -0.000 -2.492) 2.564 1.749 ( -0.934 -0.000 -0.928) 1.317 1.775 ( 2.272 -0.000 -2.052) 3.062 1.819 ( 0.601 0.000 0.331) 0.687 1.921 ( 0.196 0.000 0.575) 0.607 1.923 ( 0.301 -0.000 -1.675) 1.702 1.997 ( -0.490 0.000 1.217) 1.312 2.010 ( 0.222 -0.000 -0.226) 0.317 2.648 ( 21.146 0.000 -0.312) 21.148 2.663 ( 16.109 0.000 0.112) 16.109 2.732 ( -0.256 -0.000 -0.082) 0.269 2.750 ( 3.310 0.000 0.526) 3.352 3.056 ( -17.091 -0.000 -0.013) 17.091 3.063 ( -17.046 -0.000 0.303) 17.048 3.091 ( 0.559 -0.000 -0.467) 0.728 3.104 ( 0.580 -0.000 -0.124) 0.594 3.186 ( -0.047 -0.000 -0.829) 0.830 3.221 ( 0.562 0.000 0.299) 0.637 4.270 ( 0.620 -0.000 -0.105) 0.629 4.271 ( 0.927 -0.000 -0.087) 0.931 4.304 ( -0.031 -0.000 -0.378) 0.379 4.325 ( -0.056 0.000 0.301) 0.306 4.841 ( 3.198 -0.000 -0.204) 3.204 4.854 ( 2.926 0.000 0.226) 2.935 5.031 ( -2.292 -0.000 -0.547) 2.356 5.047 ( -1.645 -0.000 -0.028) 1.646 7.262 ( 0.710 -0.000 -0.230) 0.746 7.267 ( 0.400 -0.000 -0.085) 0.409 9.349 ( -0.687 -0.000 -0.264) 0.736 9.351 ( -0.524 -0.000 -0.145) 0.543 9.388 ( 0.238 -0.000 -0.150) 0.282 9.422 ( 0.516 0.000 1.474) 1.562 9.495 ( 0.885 -0.000 -2.181) 2.353 9.575 ( -0.423 0.000 1.000) 1.085 ======================= Grid point 182 (72/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 0.000 10.699 4.516) 11.613 0.463 ( -0.000 12.935 1.278) 12.998 0.589 ( -0.000 10.817 -1.348) 10.901 0.669 ( 0.000 14.270 5.455) 15.277 0.800 ( -0.000 9.480 -5.088) 10.759 0.812 ( -0.000 5.135 0.590) 5.169 0.986 ( 0.000 -2.439 2.558) 3.534 1.073 ( -0.000 -1.787 -4.923) 5.238 1.150 ( 0.000 0.234 0.395) 0.459 1.193 ( -0.000 1.955 -0.367) 1.990 1.454 ( 0.000 -3.987 0.095) 3.988 1.457 ( 0.000 -4.804 1.463) 5.022 1.558 ( -0.000 -2.740 -2.661) 3.819 1.584 ( 0.000 1.624 0.724) 1.778 1.683 ( -0.000 -0.337 -0.532) 0.630 1.725 ( -0.000 -2.555 -6.965) 7.419 1.833 ( 0.000 -1.910 3.038) 3.589 1.888 ( -0.000 -2.095 -0.687) 2.205 1.915 ( 0.000 0.731 0.466) 0.867 1.930 ( 0.000 -1.854 3.208) 3.706 1.941 ( 0.000 -0.168 2.028) 2.035 1.997 ( 0.000 -0.429 1.199) 1.273 2.021 ( 0.000 -0.315 1.785) 1.812 2.257 ( -0.000 -3.667 -3.191) 4.862 2.835 ( -0.000 -0.019 -0.134) 0.136 2.845 ( -0.000 0.155 -0.507) 0.530 2.931 ( 0.000 -0.746 0.035) 0.747 2.960 ( -0.000 -1.585 -0.395) 1.633 3.044 ( 0.000 0.801 0.360) 0.878 3.111 ( -0.000 -0.523 -0.478) 0.708 3.770 ( 0.000 0.908 0.267) 0.947 3.790 ( 0.000 -0.136 0.284) 0.315 4.187 ( 0.000 -0.175 0.381) 0.419 4.207 ( 0.000 -0.616 -0.043) 0.618 4.276 ( -0.000 0.293 0.038) 0.296 4.295 ( -0.000 -0.091 -0.376) 0.387 4.551 ( -0.000 0.079 -0.003) 0.079 4.554 ( -0.000 0.001 -0.043) 0.043 5.135 ( -0.000 0.746 0.108) 0.754 5.139 ( 0.000 0.265 0.245) 0.361 7.226 ( -0.000 -0.067 -0.098) 0.119 7.230 ( -0.000 -0.107 -0.152) 0.186 9.263 ( 0.000 0.357 0.151) 0.388 9.303 ( -0.000 -0.688 -0.624) 0.929 9.349 ( 0.000 0.813 0.386) 0.900 9.409 ( -0.000 1.802 -0.617) 1.904 9.449 ( 0.000 -1.477 0.419) 1.535 9.518 ( -0.000 -0.090 -1.135) 1.139 ======================= Grid point 183 (73/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -5.453 8.623 1.394) 10.297 0.589 ( -3.110 8.750 3.053) 9.775 0.677 ( -0.906 5.150 3.235) 6.149 0.805 ( -1.129 3.362 -5.595) 6.624 0.906 ( -7.506 3.171 -0.183) 8.150 0.958 ( -4.095 3.553 0.040) 5.421 1.066 ( -4.522 2.486 -2.212) 5.614 1.112 ( -3.535 3.273 -2.328) 5.351 1.151 ( -9.283 4.506 4.016) 11.073 1.259 ( -4.465 1.683 2.189) 5.250 1.415 ( -0.300 -3.957 0.563) 4.009 1.434 ( -0.121 -5.870 -0.807) 5.926 1.522 ( -1.166 -1.810 -0.774) 2.288 1.617 ( -0.729 0.743 -1.121) 1.530 1.660 ( 0.916 -1.453 -2.726) 3.222 1.698 ( -1.640 -0.277 -0.682) 1.798 1.786 ( 3.116 -0.510 -0.799) 3.257 1.872 ( 1.988 -1.218 -0.365) 2.360 1.906 ( 1.022 -1.035 2.054) 2.517 1.929 ( 0.392 -0.518 -0.511) 0.826 1.933 ( 0.101 -1.076 2.967) 3.157 1.998 ( -1.136 -1.263 0.371) 1.739 2.030 ( 0.379 -0.366 3.676) 3.714 2.135 ( 6.423 -1.777 -2.561) 7.140 2.822 ( 1.333 0.142 -0.164) 1.351 2.832 ( 1.228 0.126 -0.352) 1.283 2.956 ( -2.950 -0.296 0.014) 2.965 2.989 ( -3.410 -1.119 -0.620) 3.643 3.071 ( -1.989 0.518 0.228) 2.068 3.119 ( -1.410 -0.414 0.092) 1.473 3.726 ( 5.517 0.063 -0.380) 5.530 3.742 ( 5.389 -0.215 0.636) 5.431 4.197 ( -1.023 -0.054 0.175) 1.039 4.214 ( -1.159 -0.542 0.005) 1.280 4.281 ( -0.307 0.261 -0.021) 0.403 4.295 ( -0.247 0.024 -0.126) 0.278 4.581 ( -3.115 0.144 -0.004) 3.119 4.584 ( -3.155 0.059 -0.005) 3.156 5.136 ( 0.445 0.390 -0.075) 0.596 5.142 ( 0.364 0.305 0.319) 0.572 7.228 ( -0.401 -0.031 -0.248) 0.472 7.235 ( -0.600 0.123 0.176) 0.638 9.289 ( -2.138 -0.920 0.008) 2.328 9.300 ( -0.795 -1.498 -0.360) 1.734 9.374 ( -1.206 1.153 -0.020) 1.669 9.407 ( 0.645 0.452 -0.127) 0.798 9.429 ( 0.965 1.434 0.591) 1.827 9.542 ( -2.094 -1.226 -1.164) 2.692 ======================= Grid point 184 (74/125) ======================= q-point: ( 0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -3.302 3.721 -1.716) 5.263 0.686 ( -2.816 1.585 0.400) 3.256 0.743 ( -0.820 3.051 3.960) 5.066 0.832 ( -3.235 0.935 -3.545) 4.889 0.947 ( 0.473 2.124 -3.222) 3.888 1.044 ( -3.100 -1.195 1.292) 3.565 1.111 ( 0.539 2.364 0.850) 2.570 1.159 ( -1.875 -0.105 1.224) 2.241 1.301 ( 0.980 0.923 1.216) 1.814 1.356 ( 1.662 1.732 2.582) 3.525 1.446 ( -3.716 -1.626 0.693) 4.115 1.545 ( -8.097 -3.823 -0.915) 9.001 1.555 ( -1.047 0.226 -1.059) 1.506 1.606 ( -6.985 0.239 0.068) 6.989 1.680 ( -2.717 0.323 -1.079) 2.941 1.744 ( -1.179 1.560 -0.892) 2.149 1.751 ( -2.691 1.818 -1.312) 3.503 1.790 ( 4.423 0.026 -2.966) 5.325 1.876 ( 2.770 -1.467 0.164) 3.139 1.924 ( -2.222 0.687 1.254) 2.642 1.947 ( 0.675 -2.361 0.238) 2.467 2.013 ( 1.077 -0.607 3.378) 3.597 2.052 ( -5.728 -0.214 -0.267) 5.739 2.076 ( -5.071 -0.473 0.570) 5.125 2.790 ( 2.042 0.128 -0.240) 2.060 2.802 ( 1.988 0.155 -0.079) 1.996 3.021 ( -3.607 0.277 -0.010) 3.618 3.044 ( -3.129 -0.163 -0.395) 3.158 3.114 ( -2.459 -0.404 -0.657) 2.577 3.155 ( -2.178 -0.011 0.999) 2.396 3.575 ( 10.395 -0.179 -0.270) 10.400 3.590 ( 10.763 -0.410 0.215) 10.773 4.223 ( -1.676 0.097 -0.064) 1.680 4.237 ( -1.571 -0.183 0.105) 1.585 4.290 ( -0.478 0.102 -0.080) 0.496 4.302 ( -0.418 -0.091 0.047) 0.431 4.657 ( -4.914 0.114 -0.234) 4.921 4.667 ( -5.358 0.015 0.198) 5.362 5.122 ( 1.352 0.203 0.005) 1.367 5.126 ( 1.632 0.115 -0.008) 1.636 7.240 ( -0.895 0.091 -0.263) 0.937 7.252 ( -0.829 0.301 0.311) 0.936 9.304 ( -1.164 -1.345 -0.322) 1.808 9.314 ( -1.552 -1.920 -0.329) 2.491 9.387 ( 0.001 1.025 0.291) 1.065 9.416 ( 0.048 0.208 1.096) 1.116 9.446 ( -1.201 2.576 -0.371) 2.867 9.555 ( -1.157 -1.637 -0.928) 2.209 ======================= Grid point 185 (75/125) ======================= q-point: ( 0.67 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -2.686 -2.239 -1.653) 3.868 0.756 ( -4.204 0.112 -3.794) 5.664 0.773 ( -0.285 -0.282 1.979) 2.020 0.911 ( -3.865 1.624 -0.261) 4.201 0.924 ( -0.227 -0.333 -4.209) 4.228 1.079 ( 0.140 0.215 0.415) 0.488 1.122 ( -1.621 -1.257 2.753) 3.434 1.191 ( -0.322 -0.109 5.203) 5.215 1.296 ( 2.342 4.654 0.175) 5.213 1.344 ( 4.026 4.305 0.254) 5.900 1.442 ( 2.665 -1.624 3.086) 4.389 1.471 ( 0.507 -2.327 -1.659) 2.903 1.595 ( 2.155 -0.554 -1.271) 2.563 1.653 ( 4.122 -0.013 -2.896) 5.037 1.682 ( -2.544 -3.628 -1.352) 4.633 1.755 ( -0.031 -0.314 -0.930) 0.982 1.767 ( -1.784 0.996 -2.977) 3.610 1.806 ( 0.921 -1.865 -1.695) 2.683 1.874 ( -3.509 0.887 1.770) 4.029 1.915 ( -0.136 0.319 0.102) 0.362 1.979 ( -0.958 0.981 1.449) 1.995 2.012 ( 0.786 0.342 2.537) 2.678 2.313 ( -19.129 0.279 -0.022) 19.131 2.317 ( -19.968 0.639 0.007) 19.978 2.751 ( 1.902 -0.016 -0.284) 1.923 2.765 ( 2.028 0.174 0.095) 2.038 3.076 ( -2.055 0.201 -0.343) 2.093 3.092 ( -1.919 0.248 -0.018) 1.935 3.148 ( -2.004 -0.501 -0.727) 2.190 3.196 ( -1.528 0.053 0.900) 1.774 3.342 ( 14.502 -0.178 -0.213) 14.505 3.352 ( 14.589 -0.328 -0.003) 14.593 4.255 ( -1.567 0.120 -0.192) 1.583 4.265 ( -1.164 0.061 0.060) 1.167 4.300 ( -0.536 0.059 0.096) 0.547 4.306 ( -0.237 -0.237 -0.068) 0.342 4.754 ( -5.398 0.027 -0.290) 5.405 4.770 ( -5.380 -0.030 0.185) 5.383 5.081 ( 2.885 -0.007 -0.269) 2.898 5.092 ( 2.226 0.043 -0.003) 2.226 7.256 ( -0.851 0.116 -0.247) 0.893 7.268 ( -0.468 0.209 0.134) 0.530 9.317 ( -1.275 -0.835 -0.270) 1.548 9.323 ( -1.178 -1.351 -0.508) 1.863 9.393 ( 0.418 0.870 0.248) 0.996 9.425 ( -0.208 0.293 1.592) 1.632 9.482 ( -1.002 1.590 -1.186) 2.222 9.558 ( -0.922 -1.310 -0.306) 1.631 ======================= Grid point 186 (76/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -7.156 -1.441 -1.026) 7.371 0.763 ( -0.920 -0.598 -4.518) 4.649 0.799 ( 0.212 -0.388 1.409) 1.477 0.952 ( -4.871 -0.486 -2.850) 5.664 0.970 ( -1.658 -0.148 -1.212) 2.059 1.054 ( 2.620 -0.369 3.335) 4.257 1.144 ( 1.014 -0.311 -2.602) 2.810 1.212 ( 1.318 0.342 5.688) 5.849 1.266 ( 3.848 2.910 -0.195) 4.828 1.271 ( 3.635 2.137 -0.238) 4.224 1.424 ( 0.604 -0.077 4.720) 4.759 1.465 ( -2.061 -0.725 -1.618) 2.719 1.542 ( 2.565 1.367 -1.809) 3.424 1.573 ( 1.584 -1.998 -2.279) 3.420 1.676 ( -1.027 -2.526 -1.823) 3.280 1.734 ( 0.227 0.024 -0.951) 0.978 1.784 ( -0.303 0.324 -1.962) 2.011 1.810 ( -1.624 -1.018 -0.550) 1.994 1.918 ( -0.491 0.668 1.126) 1.398 1.927 ( -0.156 0.194 -0.148) 0.289 1.995 ( 0.385 1.295 1.624) 2.113 2.013 ( -0.200 -0.661 0.118) 0.700 2.691 ( -19.807 0.306 -0.127) 19.810 2.698 ( -15.808 0.044 -0.187) 15.810 2.731 ( -4.001 0.193 0.114) 4.007 2.736 ( 0.889 0.034 0.078) 0.893 3.033 ( 18.176 -0.191 -0.071) 18.177 3.048 ( 17.602 -0.056 0.291) 17.605 3.097 ( -0.225 -0.065 -0.370) 0.438 3.113 ( -0.129 0.037 -0.125) 0.183 3.174 ( -1.032 -0.158 -0.640) 1.224 3.222 ( -0.523 0.043 0.369) 0.642 4.276 ( -0.105 -0.029 -0.099) 0.147 4.276 ( -0.528 0.022 -0.112) 0.541 4.302 ( 0.129 -0.041 -0.145) 0.198 4.317 ( -0.782 0.031 0.156) 0.798 4.840 ( -3.303 -0.008 -0.169) 3.307 4.853 ( -3.016 -0.003 0.128) 3.019 5.027 ( 2.219 -0.054 -0.493) 2.274 5.050 ( 1.898 -0.012 0.003) 1.898 7.267 ( -0.300 0.034 -0.188) 0.355 7.271 ( 0.241 0.007 -0.101) 0.262 9.333 ( -1.047 -0.532 -0.315) 1.216 9.335 ( -1.076 -0.356 -0.266) 1.164 9.391 ( 0.316 0.373 -0.008) 0.489 9.436 ( 0.249 0.336 1.768) 1.817 9.492 ( -0.057 0.458 -1.914) 1.969 9.568 ( -0.826 -0.462 0.322) 0.999 ======================= Grid point 187 (77/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.634 -0.000 -0.682) 0.932 0.780 ( 0.944 -0.000 -2.069) 2.274 0.793 ( 2.703 -0.000 -0.313) 2.721 0.919 ( 0.158 -0.000 -0.225) 0.276 0.990 ( 2.901 -0.000 -1.028) 3.078 1.067 ( -1.749 -0.000 -0.075) 1.750 1.092 ( 1.775 0.000 0.108) 1.778 1.198 ( -0.313 0.000 1.880) 1.906 1.226 ( 2.149 -0.000 -1.447) 2.591 1.255 ( -1.440 -0.000 -0.046) 1.441 1.480 ( -3.873 0.000 4.481) 5.923 1.505 ( -2.828 -0.000 -0.539) 2.879 1.544 ( -3.150 0.000 0.719) 3.231 1.551 ( -1.301 -0.000 -2.122) 2.489 1.666 ( 1.061 -0.000 -1.610) 1.928 1.742 ( -1.237 -0.000 -0.680) 1.412 1.759 ( 2.086 -0.000 -1.302) 2.459 1.822 ( 0.336 0.000 0.137) 0.363 1.910 ( 0.807 -0.000 -1.002) 1.287 1.928 ( 0.749 0.000 0.769) 1.074 2.006 ( 0.436 -0.000 -0.487) 0.653 2.006 ( -0.292 0.000 0.728) 0.784 2.646 ( 21.347 0.000 -0.161) 21.348 2.664 ( 15.232 0.000 0.034) 15.232 2.732 ( -0.366 -0.000 -0.022) 0.366 2.754 ( 3.940 0.000 0.310) 3.952 3.056 ( -17.476 -0.000 0.008) 17.476 3.066 ( -17.600 -0.000 0.224) 17.602 3.087 ( 0.862 -0.000 -0.277) 0.905 3.103 ( 1.004 -0.000 -0.162) 1.017 3.180 ( 0.025 -0.000 -0.459) 0.460 3.223 ( 0.691 0.000 0.124) 0.702 4.270 ( 0.591 -0.000 -0.067) 0.595 4.270 ( 0.971 -0.000 -0.058) 0.973 4.301 ( -0.037 -0.000 -0.206) 0.209 4.327 ( -0.066 0.000 0.156) 0.169 4.839 ( 3.235 -0.000 -0.108) 3.237 4.855 ( 2.900 0.000 0.121) 2.903 5.027 ( -2.417 -0.000 -0.326) 2.438 5.046 ( -1.623 -0.000 -0.049) 1.624 7.261 ( 0.709 -0.000 -0.142) 0.723 7.266 ( 0.329 -0.000 -0.064) 0.335 9.347 ( -0.776 -0.000 -0.168) 0.794 9.349 ( -0.575 -0.000 -0.091) 0.582 9.387 ( 0.258 -0.000 -0.053) 0.263 9.436 ( 0.592 0.000 1.592) 1.699 9.477 ( 0.975 -0.000 -1.973) 2.201 9.582 ( -0.648 0.000 0.519) 0.830 ======================= Grid point 188 (78/125) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.844 -0.000 -0.000) 0.844 0.771 ( 2.323 0.000 0.000) 2.323 0.792 ( 3.107 0.000 0.000) 3.107 0.918 ( -0.241 -0.000 -0.000) 0.241 0.985 ( 2.704 0.000 0.000) 2.704 1.067 ( -0.996 -0.000 -0.000) 0.996 1.092 ( 0.450 0.000 0.000) 0.450 1.207 ( -0.045 -0.000 -0.000) 0.045 1.219 ( 2.738 0.000 0.000) 2.738 1.255 ( -0.984 -0.000 -0.000) 0.984 1.503 ( -3.667 -0.000 -0.000) 3.667 1.514 ( -4.474 -0.000 -0.000) 4.474 1.528 ( -0.995 -0.000 -0.000) 0.995 1.547 ( -3.160 -0.000 -0.000) 3.160 1.659 ( 1.326 0.000 0.000) 1.326 1.738 ( -1.308 -0.000 -0.000) 1.308 1.753 ( 1.993 0.000 0.000) 1.993 1.822 ( 0.252 0.000 0.000) 0.252 1.906 ( 1.012 0.000 0.000) 1.012 1.932 ( 0.943 0.000 0.000) 0.943 2.003 ( 0.511 0.000 0.000) 0.511 2.010 ( -0.217 -0.000 -0.000) 0.217 2.645 ( 21.404 0.000 0.000) 21.404 2.664 ( 14.924 0.000 0.000) 14.924 2.732 ( -0.394 -0.000 -0.000) 0.394 2.755 ( 4.157 0.000 0.000) 4.157 3.056 ( -17.661 -0.000 -0.000) 17.661 3.067 ( -17.923 -0.000 -0.000) 17.923 3.086 ( 1.016 0.000 0.000) 1.016 3.102 ( 1.270 0.000 0.000) 1.270 3.178 ( 0.064 0.000 0.000) 0.064 3.223 ( 0.737 0.000 0.000) 0.737 4.269 ( 0.581 0.000 0.000) 0.581 4.270 ( 0.987 0.000 0.000) 0.987 4.300 ( -0.040 -0.000 -0.000) 0.040 4.327 ( -0.069 -0.000 -0.000) 0.069 4.839 ( 3.249 0.000 0.000) 3.249 4.856 ( 2.892 0.000 0.000) 2.892 5.025 ( -2.463 -0.000 -0.000) 2.463 5.046 ( -1.618 -0.000 -0.000) 1.618 7.260 ( 0.707 0.000 0.000) 0.707 7.266 ( 0.302 0.000 0.000) 0.302 9.346 ( -0.808 -0.000 -0.000) 0.808 9.349 ( -0.595 -0.000 -0.000) 0.595 9.387 ( 0.265 0.000 0.000) 0.265 9.446 ( 0.521 0.000 0.000) 0.521 9.465 ( 1.101 0.000 0.000) 1.101 9.584 ( -0.730 -0.000 -0.000) 0.730 ======================= Grid point 192 (79/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 8.321 7.307) 11.074 0.480 ( -0.000 12.790 2.330) 13.001 0.583 ( -0.000 11.977 -0.266) 11.980 0.720 ( 0.000 9.359 5.710) 10.964 0.743 ( -0.000 6.943 -7.412) 10.156 0.827 ( 0.000 7.811 3.058) 8.389 1.007 ( 0.000 0.634 1.642) 1.760 1.019 ( -0.000 -0.754 -6.690) 6.733 1.149 ( -0.000 0.474 -0.480) 0.674 1.188 ( -0.000 2.171 -0.901) 2.350 1.456 ( 0.000 -3.522 0.666) 3.584 1.472 ( 0.000 -4.643 1.653) 4.929 1.534 ( -0.000 -3.370 -2.437) 4.159 1.594 ( 0.000 1.666 1.527) 2.260 1.659 ( -0.000 -1.586 -7.473) 7.639 1.676 ( -0.000 -0.004 -1.049) 1.049 1.854 ( 0.000 -2.093 1.829) 2.779 1.884 ( 0.000 -2.130 -0.256) 2.146 1.923 ( 0.000 1.510 1.236) 1.951 1.951 ( 0.000 -1.257 1.346) 1.842 1.961 ( 0.000 -1.477 2.299) 2.733 2.015 ( 0.000 -0.653 2.645) 2.724 2.044 ( 0.000 -0.866 3.141) 3.258 2.218 ( -0.000 -3.321 -5.087) 6.075 2.834 ( -0.000 -0.001 -0.210) 0.210 2.840 ( -0.000 0.220 -0.647) 0.683 2.932 ( 0.000 -0.824 0.121) 0.833 2.956 ( -0.000 -1.469 -0.674) 1.616 3.050 ( 0.000 0.888 0.796) 1.193 3.105 ( -0.000 -0.239 -0.914) 0.945 3.773 ( 0.000 0.885 0.490) 1.012 3.792 ( 0.000 -0.028 0.178) 0.180 4.191 ( 0.000 -0.412 0.544) 0.682 4.206 ( 0.000 -0.626 -0.096) 0.633 4.277 ( 0.000 0.310 0.087) 0.322 4.291 ( -0.000 0.115 -0.537) 0.549 4.551 ( -0.000 0.078 0.003) 0.078 4.554 ( -0.000 0.014 -0.073) 0.074 5.136 ( 0.000 0.736 0.199) 0.763 5.142 ( 0.000 0.294 0.228) 0.372 7.225 ( -0.000 0.047 -0.142) 0.150 7.228 ( -0.000 0.015 -0.238) 0.238 9.265 ( 0.000 0.354 0.298) 0.462 9.296 ( -0.000 -0.352 -0.936) 1.000 9.354 ( 0.000 0.811 0.720) 1.085 9.401 ( -0.000 1.374 -0.987) 1.691 9.454 ( 0.000 -0.930 0.664) 1.142 9.505 ( -0.000 0.281 -1.557) 1.582 ======================= Grid point 193 (80/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -3.733 6.980 3.130) 8.512 0.614 ( -3.263 7.392 1.925) 8.306 0.710 ( -1.574 5.484 3.568) 6.729 0.759 ( -1.922 1.925 -3.537) 4.462 0.889 ( -5.916 3.142 -3.252) 7.446 0.963 ( -4.649 4.031 0.271) 6.160 1.037 ( -4.275 4.957 -3.335) 7.347 1.107 ( -2.156 2.494 0.789) 3.390 1.185 ( -11.521 5.298 3.518) 13.160 1.273 ( -6.215 1.871 1.034) 6.572 1.419 ( 0.323 -3.592 -0.543) 3.647 1.428 ( 1.596 -4.284 0.452) 4.594 1.519 ( -2.284 -2.799 -0.050) 3.613 1.593 ( 1.227 -0.927 -4.424) 4.684 1.642 ( -1.690 1.358 -0.809) 2.314 1.695 ( -2.279 0.465 -0.086) 2.328 1.780 ( 4.587 -1.464 -0.500) 4.841 1.870 ( 2.958 -1.277 -0.173) 3.226 1.923 ( 0.567 0.201 0.833) 1.027 1.930 ( 1.266 -1.883 1.716) 2.845 1.961 ( 0.793 -0.997 3.059) 3.314 1.999 ( -0.885 -1.624 -0.044) 1.850 2.061 ( 0.081 -0.291 2.569) 2.587 2.109 ( 4.930 -2.373 -2.805) 6.149 2.820 ( 1.336 0.158 -0.208) 1.361 2.829 ( 1.129 0.266 -0.374) 1.219 2.956 ( -2.965 -0.280 0.075) 2.979 2.983 ( -3.409 -1.007 -0.723) 3.627 3.073 ( -1.575 0.374 0.306) 1.648 3.120 ( -1.879 -0.092 0.044) 1.882 3.724 ( 5.717 0.158 -0.189) 5.723 3.747 ( 5.473 -0.171 0.459) 5.494 4.198 ( -0.918 -0.170 0.190) 0.953 4.214 ( -1.203 -0.527 0.004) 1.314 4.281 ( -0.245 0.252 -0.027) 0.353 4.294 ( -0.399 0.087 -0.131) 0.429 4.581 ( -3.006 0.164 0.010) 3.011 4.583 ( -3.268 0.070 -0.023) 3.269 5.135 ( 0.512 0.417 -0.007) 0.660 5.145 ( 0.420 0.281 0.259) 0.568 7.226 ( -0.349 0.034 -0.200) 0.403 7.236 ( -0.691 0.276 0.116) 0.753 9.289 ( -1.785 -0.975 -0.096) 2.036 9.297 ( -1.096 -1.216 -0.295) 1.663 9.374 ( -0.713 0.801 0.030) 1.073 9.406 ( -0.342 1.331 -0.154) 1.383 9.435 ( 1.292 0.938 0.731) 1.756 9.530 ( -2.071 -0.849 -1.349) 2.613 ======================= Grid point 194 (81/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -2.857 2.396 0.371) 3.747 0.672 ( -1.905 0.017 -3.404) 3.901 0.781 ( -0.351 2.200 4.579) 5.092 0.820 ( -3.718 2.446 0.501) 4.479 0.912 ( 0.813 2.190 -4.443) 5.020 1.043 ( -3.092 0.096 -1.140) 3.297 1.126 ( -0.749 0.933 2.080) 2.400 1.169 ( -2.991 1.999 0.871) 3.701 1.317 ( 1.548 0.263 2.179) 2.686 1.369 ( 2.157 1.641 0.232) 2.720 1.460 ( -3.943 -0.707 2.168) 4.555 1.526 ( -0.062 -2.310 -2.605) 3.483 1.559 ( -8.954 -0.357 1.293) 9.054 1.606 ( -9.259 0.099 -0.112) 9.260 1.669 ( 0.024 -0.029 -1.541) 1.542 1.708 ( -0.650 1.368 -3.921) 4.203 1.763 ( 0.577 1.205 0.391) 1.392 1.772 ( 0.841 0.242 -0.237) 0.907 1.877 ( 3.496 -2.158 0.081) 4.109 1.934 ( -1.370 0.322 0.853) 1.646 1.948 ( 0.672 -0.992 0.087) 1.201 2.032 ( -3.820 -0.700 0.951) 3.998 2.054 ( -2.116 -0.199 0.678) 2.231 2.082 ( -4.939 -0.966 0.871) 5.107 2.788 ( 2.051 0.077 -0.212) 2.064 2.801 ( 1.938 0.325 -0.072) 1.967 3.021 ( -3.511 0.208 0.005) 3.517 3.041 ( -3.324 -0.089 -0.347) 3.344 3.109 ( -2.262 -0.514 -0.424) 2.358 3.163 ( -2.274 0.114 0.715) 2.386 3.573 ( 10.348 -0.176 -0.197) 10.351 3.591 ( 10.915 -0.400 0.147) 10.923 4.223 ( -1.616 0.020 -0.048) 1.617 4.238 ( -1.587 -0.147 0.083) 1.596 4.289 ( -0.519 0.049 -0.064) 0.525 4.302 ( -0.404 -0.042 0.036) 0.408 4.655 ( -4.833 0.128 -0.155) 4.837 4.668 ( -5.397 0.023 0.124) 5.399 5.122 ( 1.263 0.190 -0.001) 1.277 5.126 ( 1.821 0.068 -0.004) 1.823 7.238 ( -0.879 0.098 -0.165) 0.899 7.254 ( -0.795 0.380 0.206) 0.905 9.301 ( -1.198 -1.275 -0.298) 1.775 9.311 ( -1.336 -1.925 -0.249) 2.357 9.390 ( -0.283 1.177 0.354) 1.261 9.426 ( 0.063 0.112 0.993) 1.001 9.442 ( -1.039 2.441 -0.394) 2.682 9.546 ( -1.313 -1.411 -0.895) 2.125 ======================= Grid point 195 (82/125) ======================= q-point: ( 0.78 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -2.749 -3.095 -0.607) 4.184 0.715 ( -3.257 0.212 -3.721) 4.950 0.806 ( -0.503 -0.648 4.086) 4.168 0.884 ( -0.410 -0.648 -4.314) 4.382 0.913 ( -3.409 1.855 0.327) 3.894 1.079 ( -1.017 0.023 -0.297) 1.060 1.139 ( -1.036 -1.626 1.255) 2.300 1.234 ( -0.903 2.209 3.903) 4.575 1.303 ( 2.980 3.840 1.472) 5.078 1.338 ( 4.462 3.717 -1.271) 5.944 1.448 ( 0.682 -2.463 -2.690) 3.711 1.484 ( 2.019 -0.781 5.538) 5.946 1.577 ( 2.749 -0.318 -2.969) 4.058 1.628 ( 3.771 0.091 -2.311) 4.424 1.670 ( -1.101 -3.457 -1.080) 3.785 1.745 ( -2.196 0.513 -1.687) 2.816 1.756 ( -1.659 -1.413 0.890) 2.354 1.790 ( 1.424 -1.868 -1.904) 3.023 1.888 ( -3.444 1.265 1.173) 3.852 1.917 ( -0.132 -0.109 0.245) 0.299 1.986 ( -1.034 0.989 0.420) 1.491 2.031 ( 1.639 0.665 1.571) 2.366 2.312 ( -18.973 0.163 -0.016) 18.974 2.317 ( -20.179 0.677 -0.006) 20.190 2.749 ( 1.883 -0.051 -0.168) 1.891 2.765 ( 2.029 0.257 0.045) 2.046 3.074 ( -1.999 0.126 -0.205) 2.013 3.091 ( -1.947 0.264 -0.031) 1.965 3.143 ( -2.071 -0.571 -0.382) 2.182 3.203 ( -1.492 0.106 0.504) 1.578 3.341 ( 14.548 -0.240 -0.147) 14.551 3.352 ( 14.627 -0.307 -0.002) 14.630 4.253 ( -1.558 0.087 -0.109) 1.564 4.265 ( -1.096 0.053 0.022) 1.098 4.301 ( -0.729 -0.021 0.081) 0.734 4.306 ( -0.081 -0.158 -0.061) 0.188 4.752 ( -5.398 0.009 -0.163) 5.400 4.771 ( -5.366 -0.019 0.094) 5.367 5.079 ( 2.998 -0.082 -0.162) 3.003 5.092 ( 2.192 0.033 -0.015) 2.193 7.255 ( -0.848 0.093 -0.138) 0.864 7.269 ( -0.379 0.208 0.064) 0.437 9.315 ( -1.293 -0.826 -0.152) 1.542 9.319 ( -1.149 -1.329 -0.321) 1.786 9.395 ( 0.580 0.863 0.169) 1.054 9.440 ( -0.385 0.448 1.745) 1.842 9.470 ( -0.777 1.136 -1.521) 2.051 9.556 ( -1.138 -1.050 -0.200) 1.561 ======================= Grid point 196 (83/125) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -7.564 -1.865 -0.300) 7.796 0.735 ( -1.179 -0.458 -1.739) 2.150 0.809 ( 1.503 -0.345 0.623) 1.663 0.934 ( -6.352 -1.060 -1.145) 6.540 0.964 ( -0.900 0.098 -0.306) 0.955 1.083 ( 1.549 -0.182 3.100) 3.470 1.116 ( 2.902 -0.467 -3.267) 4.395 1.251 ( 3.985 0.982 2.187) 4.651 1.267 ( 2.562 2.625 0.533) 3.707 1.270 ( 2.765 2.078 -0.020) 3.459 1.444 ( -1.863 -0.307 -1.549) 2.442 1.472 ( 0.430 -0.424 4.778) 4.816 1.521 ( 1.256 1.092 -3.171) 3.581 1.555 ( 1.697 -1.587 -1.157) 2.596 1.665 ( -1.200 -2.858 -0.634) 3.164 1.729 ( 0.481 -0.011 -0.256) 0.545 1.771 ( -0.438 -0.001 -0.775) 0.890 1.807 ( -1.978 -0.956 -0.204) 2.207 1.920 ( 0.524 0.968 -0.079) 1.104 1.931 ( -0.777 -0.049 0.603) 0.985 2.004 ( -0.116 0.655 0.295) 0.728 2.014 ( 0.735 -0.046 0.186) 0.760 2.690 ( -19.959 0.258 -0.037) 19.960 2.697 ( -14.608 0.016 -0.092) 14.608 2.732 ( -5.157 0.234 0.056) 5.162 2.737 ( 0.985 0.067 0.024) 0.987 3.032 ( 18.260 -0.197 -0.020) 18.261 3.049 ( 17.644 -0.014 0.111) 17.645 3.094 ( -0.237 -0.118 -0.132) 0.296 3.112 ( -0.208 0.022 -0.075) 0.222 3.170 ( -1.099 -0.199 -0.218) 1.138 3.225 ( -0.495 0.053 0.119) 0.512 4.275 ( -0.066 -0.046 -0.038) 0.089 4.275 ( -0.601 0.024 -0.045) 0.603 4.301 ( 0.223 -0.069 -0.050) 0.239 4.318 ( -0.824 0.054 0.054) 0.828 4.839 ( -3.350 -0.018 -0.061) 3.351 4.854 ( -3.020 0.005 0.044) 3.020 5.023 ( 2.272 -0.099 -0.183) 2.281 5.049 ( 1.907 -0.020 -0.010) 1.907 7.266 ( -0.324 0.019 -0.072) 0.332 7.270 ( 0.295 -0.008 -0.042) 0.298 9.331 ( -1.058 -0.586 -0.124) 1.215 9.334 ( -1.122 -0.313 -0.097) 1.168 9.391 ( 0.364 0.374 0.008) 0.522 9.451 ( 0.503 0.641 1.469) 1.680 9.476 ( -0.216 0.020 -1.526) 1.542 9.570 ( -0.934 -0.354 0.107) 1.004 ======================= Grid point 202 (84/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -0.000 6.419 8.540) 10.683 0.504 ( 0.000 12.664 2.903) 12.992 0.579 ( 0.000 12.200 -0.868) 12.231 0.672 ( -0.000 5.310 -8.450) 9.980 0.769 ( 0.000 3.970 5.444) 6.738 0.869 ( -0.000 10.959 6.234) 12.608 0.954 ( -0.000 0.343 -7.610) 7.617 1.011 ( -0.000 3.606 -1.292) 3.831 1.146 ( -0.000 1.092 -0.005) 1.092 1.178 ( -0.000 2.131 -1.397) 2.548 1.467 ( 0.000 -2.792 1.741) 3.290 1.484 ( 0.000 -4.250 1.028) 4.372 1.518 ( 0.000 -4.336 -1.198) 4.499 1.594 ( -0.000 -2.000 -6.199) 6.513 1.612 ( 0.000 1.862 1.666) 2.498 1.664 ( -0.000 0.451 -1.508) 1.574 1.867 ( 0.000 -2.036 1.127) 2.327 1.882 ( 0.000 -2.119 -0.227) 2.131 1.935 ( 0.000 1.390 1.454) 2.011 1.956 ( 0.000 -0.613 0.002) 0.613 1.983 ( 0.000 -0.964 2.804) 2.966 2.035 ( -0.000 0.161 1.403) 1.412 2.074 ( -0.000 -2.163 3.262) 3.914 2.171 ( 0.000 -3.724 -5.238) 6.427 2.832 ( -0.000 0.030 -0.182) 0.184 2.835 ( 0.000 0.200 -0.484) 0.523 2.933 ( 0.000 -0.910 0.288) 0.955 2.949 ( 0.000 -1.311 -0.773) 1.522 3.058 ( -0.000 0.890 1.187) 1.483 3.095 ( -0.000 0.135 -1.253) 1.260 3.778 ( -0.000 0.824 0.625) 1.034 3.792 ( -0.000 0.217 -0.159) 0.269 4.196 ( 0.000 -0.584 0.506) 0.772 4.205 ( -0.000 -0.642 -0.167) 0.663 4.278 ( 0.000 0.331 0.156) 0.366 4.286 ( 0.000 0.269 -0.499) 0.567 4.551 ( 0.000 0.073 0.020) 0.076 4.553 ( 0.000 0.032 -0.082) 0.088 5.138 ( 0.000 0.708 0.251) 0.751 5.143 ( 0.000 0.408 0.040) 0.410 7.224 ( -0.000 0.175 -0.105) 0.204 7.226 ( 0.000 0.154 -0.227) 0.274 9.269 ( 0.000 0.332 0.444) 0.554 9.287 ( 0.000 -0.045 -0.932) 0.933 9.361 ( -0.000 0.807 0.971) 1.262 9.392 ( 0.000 1.067 -1.157) 1.574 9.461 ( -0.000 -0.441 0.833) 0.943 9.491 ( 0.000 0.382 -1.465) 1.514 ======================= Grid point 203 (85/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -2.327 5.321 4.872) 7.580 0.608 ( -1.703 5.341 -3.514) 6.616 0.724 ( -4.631 4.374 0.582) 6.397 0.767 ( -2.713 4.354 3.773) 6.368 0.859 ( -3.337 2.859 -3.048) 5.348 0.949 ( -4.854 1.134 -3.086) 5.863 1.022 ( -4.820 9.317 -0.113) 10.490 1.116 ( -1.245 1.989 0.871) 2.503 1.211 ( -13.234 6.044 2.191) 14.713 1.278 ( -7.712 1.950 0.210) 7.958 1.409 ( 2.652 -2.665 -1.011) 3.893 1.443 ( 1.368 -3.587 2.209) 4.430 1.519 ( -1.932 -3.214 -0.296) 3.762 1.550 ( -0.224 -0.809 -4.328) 4.409 1.641 ( -1.188 1.261 0.148) 1.739 1.695 ( -2.933 1.178 0.042) 3.161 1.777 ( 5.417 -2.009 -0.230) 5.782 1.869 ( 3.490 -1.393 -0.058) 3.758 1.925 ( 0.287 -0.366 0.071) 0.470 1.952 ( 1.445 -0.811 2.470) 2.974 1.984 ( 2.350 -0.965 1.582) 2.993 2.001 ( -0.418 -2.214 0.885) 2.420 2.058 ( 1.815 0.081 -3.076) 3.573 2.102 ( 1.056 -3.124 1.026) 3.453 2.818 ( 1.336 0.173 -0.153) 1.356 2.826 ( 1.056 0.377 -0.224) 1.144 2.957 ( -2.958 -0.266 0.116) 2.973 2.977 ( -3.420 -0.927 -0.518) 3.581 3.076 ( -1.158 0.211 0.228) 1.199 3.120 ( -2.334 0.241 -0.007) 2.346 3.723 ( 5.896 0.207 -0.065) 5.900 3.750 ( 5.519 -0.097 0.230) 5.525 4.200 ( -0.824 -0.263 0.120) 0.873 4.214 ( -1.249 -0.513 0.002) 1.350 4.281 ( -0.189 0.244 -0.019) 0.309 4.293 ( -0.527 0.138 -0.079) 0.551 4.581 ( -2.895 0.174 0.017) 2.900 4.583 ( -3.384 0.087 -0.027) 3.385 5.135 ( 0.572 0.422 0.014) 0.712 5.147 ( 0.453 0.288 0.137) 0.554 7.225 ( -0.320 0.104 -0.111) 0.354 7.237 ( -0.752 0.401 0.055) 0.854 9.288 ( -1.264 -0.997 -0.163) 1.618 9.295 ( -1.566 -1.024 -0.085) 1.873 9.374 ( -0.332 0.536 0.041) 0.632 9.404 ( -0.935 1.845 -0.104) 2.071 9.441 ( 1.366 0.746 0.549) 1.651 9.519 ( -2.035 -0.590 -0.933) 2.315 ======================= Grid point 204 (86/125) ======================= q-point: ( 0.78 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -2.207 1.015 2.538) 3.514 0.637 ( -2.043 0.054 -4.051) 4.537 0.823 ( -1.015 2.258 4.017) 4.718 0.830 ( -2.441 2.185 1.775) 3.726 0.870 ( 0.670 2.172 -4.930) 5.429 1.033 ( -3.383 0.991 -0.801) 3.616 1.141 ( -0.989 -0.753 0.986) 1.587 1.174 ( -3.706 4.245 0.232) 5.640 1.337 ( 1.491 0.196 2.021) 2.520 1.363 ( 2.063 0.689 -1.138) 2.455 1.475 ( -0.389 0.330 0.841) 0.984 1.508 ( -4.476 -1.647 -0.984) 4.870 1.576 ( -7.337 -0.518 2.387) 7.733 1.600 ( -12.726 1.077 -1.295) 12.837 1.653 ( 5.254 -0.713 -1.529) 5.519 1.685 ( -2.494 0.662 -1.146) 2.823 1.758 ( 6.400 -0.790 -0.460) 6.465 1.779 ( -4.730 2.109 0.639) 5.218 1.877 ( 4.106 -2.613 0.021) 4.867 1.939 ( 1.050 -0.786 0.270) 1.339 1.949 ( -1.413 0.815 0.026) 1.631 2.036 ( -6.848 -0.665 0.099) 6.881 2.059 ( -1.005 -0.370 0.255) 1.101 2.089 ( -3.590 -1.249 0.530) 3.838 2.787 ( 2.053 0.057 -0.084) 2.055 2.801 ( 1.910 0.425 -0.029) 1.957 3.021 ( -3.424 0.152 0.007) 3.427 3.038 ( -3.478 -0.034 -0.139) 3.481 3.106 ( -2.152 -0.564 -0.146) 2.230 3.168 ( -2.315 0.181 0.258) 2.336 3.572 ( 10.335 -0.174 -0.072) 10.337 3.592 ( 10.996 -0.393 0.051) 11.003 4.222 ( -1.581 -0.025 -0.017) 1.581 4.239 ( -1.593 -0.129 0.031) 1.599 4.289 ( -0.544 0.019 -0.024) 0.545 4.302 ( -0.396 -0.015 0.013) 0.397 4.654 ( -4.785 0.137 -0.054) 4.787 4.669 ( -5.418 0.028 0.042) 5.419 5.122 ( 1.209 0.182 -0.002) 1.223 5.126 ( 1.939 0.038 -0.001) 1.940 7.237 ( -0.867 0.107 -0.056) 0.875 7.256 ( -0.774 0.427 0.072) 0.887 9.299 ( -1.224 -1.235 -0.121) 1.743 9.310 ( -1.213 -1.929 -0.089) 2.280 9.392 ( -0.422 1.271 0.163) 1.349 9.433 ( -0.211 0.022 0.495) 0.538 9.439 ( -0.651 2.376 -0.256) 2.477 9.540 ( -1.435 -1.256 -0.382) 1.945 ======================= Grid point 205 (87/125) ======================= q-point: (-0.11 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -2.724 -3.631 -0.000) 4.539 0.698 ( -3.223 0.389 0.000) 3.246 0.837 ( 0.877 -0.298 -0.000) 0.926 0.852 ( -1.689 -1.056 -0.000) 1.992 0.915 ( -3.217 1.826 0.000) 3.699 1.077 ( -1.478 -0.091 0.000) 1.481 1.145 ( -0.728 -1.721 -0.000) 1.868 1.252 ( -1.069 3.895 0.000) 4.039 1.320 ( 3.416 2.468 0.000) 4.215 1.324 ( 4.012 3.877 0.000) 5.579 1.433 ( 0.881 -2.466 -0.000) 2.619 1.526 ( 0.189 -1.721 -0.000) 1.732 1.547 ( 4.930 1.103 0.000) 5.052 1.617 ( 3.510 -0.200 -0.000) 3.516 1.665 ( -0.746 -3.377 -0.000) 3.458 1.738 ( -2.389 0.296 0.000) 2.407 1.764 ( -4.350 -1.968 -0.000) 4.774 1.777 ( 3.869 -1.661 -0.000) 4.211 1.893 ( -3.264 1.551 0.000) 3.613 1.918 ( -0.312 -0.414 -0.000) 0.519 1.988 ( -0.931 1.020 0.000) 1.381 2.038 ( 1.860 0.754 0.000) 2.007 2.312 ( -18.934 0.123 0.000) 18.934 2.317 ( -20.247 0.685 0.000) 20.258 2.748 ( 1.876 -0.061 -0.000) 1.877 2.766 ( 2.029 0.286 0.000) 2.049 3.073 ( -1.983 0.099 0.000) 1.985 3.091 ( -1.949 0.266 0.000) 1.967 3.141 ( -2.096 -0.593 -0.000) 2.178 3.205 ( -1.486 0.124 0.000) 1.492 3.340 ( 14.573 -0.264 -0.000) 14.576 3.352 ( 14.640 -0.301 -0.000) 14.643 4.253 ( -1.554 0.075 0.000) 1.556 4.265 ( -1.071 0.048 0.000) 1.072 4.301 ( -0.849 -0.066 0.000) 0.852 4.305 ( 0.025 -0.114 -0.000) 0.117 4.751 ( -5.397 0.004 0.000) 5.397 4.771 ( -5.361 -0.016 0.000) 5.361 5.079 ( 3.038 -0.108 -0.000) 3.040 5.092 ( 2.183 0.028 -0.000) 2.183 7.254 ( -0.845 0.085 0.000) 0.849 7.269 ( -0.347 0.206 0.000) 0.404 9.315 ( -1.313 -0.800 -0.000) 1.537 9.317 ( -1.125 -1.348 -0.000) 1.755 9.396 ( 0.638 0.861 0.000) 1.072 9.455 ( -1.075 0.162 -0.000) 1.087 9.455 ( -0.060 1.305 0.000) 1.306 9.555 ( -1.224 -0.947 -0.000) 1.548 ======================= Grid point 213 (88/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -0.000 6.422 8.017) 10.272 0.528 ( 0.000 12.419 1.957) 12.573 0.567 ( 0.000 10.966 -1.247) 11.037 0.596 ( 0.000 4.727 -7.962) 9.259 0.822 ( -0.000 1.725 6.619) 6.841 0.886 ( -0.000 0.975 -7.520) 7.583 0.929 ( -0.000 10.425 6.772) 12.431 0.983 ( -0.000 7.390 -4.899) 8.866 1.151 ( 0.000 1.445 1.164) 1.856 1.164 ( 0.000 1.813 -1.576) 2.402 1.485 ( -0.000 -1.998 1.723) 2.638 1.490 ( 0.000 -3.394 0.280) 3.405 1.515 ( 0.000 -4.949 1.061) 5.061 1.543 ( 0.000 -3.063 -4.830) 5.719 1.631 ( 0.000 1.411 2.173) 2.591 1.649 ( -0.000 0.943 -1.903) 2.124 1.875 ( 0.000 -2.025 0.682) 2.136 1.879 ( 0.000 -2.069 -0.388) 2.105 1.947 ( 0.000 0.599 1.047) 1.206 1.954 ( 0.000 -0.094 -0.574) 0.582 2.011 ( 0.000 0.649 3.263) 3.326 2.035 ( 0.000 1.343 -1.587) 2.079 2.101 ( -0.000 -3.710 2.960) 4.746 2.130 ( -0.000 -4.470 -3.841) 5.893 2.831 ( -0.000 0.075 -0.032) 0.082 2.832 ( -0.000 0.136 -0.214) 0.253 2.937 ( 0.000 -1.014 0.504) 1.133 2.942 ( 0.000 -1.150 -0.695) 1.344 3.070 ( -0.000 0.759 1.414) 1.605 3.083 ( -0.000 0.494 -1.434) 1.517 3.784 ( 0.000 0.697 0.627) 0.938 3.789 ( 0.000 0.488 -0.466) 0.675 4.200 ( -0.000 -0.653 0.387) 0.759 4.203 ( 0.000 -0.658 -0.264) 0.709 4.279 ( 0.000 0.347 0.254) 0.430 4.282 ( 0.000 0.337 -0.378) 0.507 4.552 ( 0.000 0.064 0.046) 0.079 4.552 ( 0.000 0.050 -0.070) 0.086 5.141 ( -0.000 0.647 0.239) 0.690 5.142 ( -0.000 0.543 -0.141) 0.561 7.223 ( -0.000 0.256 0.002) 0.256 7.224 ( -0.000 0.248 -0.133) 0.281 9.273 ( -0.000 0.273 0.603) 0.662 9.279 ( -0.000 0.157 -0.779) 0.795 9.371 ( -0.000 0.825 1.129) 1.398 9.381 ( 0.000 0.898 -1.195) 1.495 9.469 ( -0.000 -0.052 1.014) 1.015 9.479 ( 0.000 0.236 -1.234) 1.256 ======================= Grid point 214 (89/125) ======================= q-point: (-0.22 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -1.547 1.743 0.000) 2.330 0.566 ( -1.324 7.322 0.000) 7.441 0.729 ( -6.050 3.795 0.000) 7.141 0.789 ( -4.605 7.628 0.000) 8.910 0.843 ( 0.250 0.488 0.000) 0.549 0.930 ( -6.100 1.044 0.000) 6.188 1.024 ( -4.579 10.102 0.000) 11.091 1.120 ( -0.956 1.863 0.000) 2.094 1.221 ( -14.051 6.427 0.000) 15.451 1.279 ( -8.239 1.910 0.000) 8.458 1.404 ( 3.262 -2.287 -0.000) 3.984 1.457 ( 2.021 -3.555 -0.000) 4.089 1.511 ( 0.218 -1.630 -0.000) 1.645 1.532 ( -3.212 -2.168 -0.000) 3.875 1.642 ( -0.801 0.998 0.000) 1.279 1.695 ( -3.238 1.494 0.000) 3.566 1.776 ( 5.684 -2.180 -0.000) 6.088 1.869 ( 3.657 -1.443 -0.000) 3.931 1.925 ( 0.272 -0.483 -0.000) 0.554 1.966 ( 0.390 0.337 0.000) 0.516 1.988 ( 3.592 -2.904 -0.000) 4.619 2.014 ( 2.450 -1.055 -0.000) 2.667 2.034 ( -0.519 -0.508 -0.000) 0.726 2.109 ( 0.285 -2.895 -0.000) 2.909 2.818 ( 1.335 0.180 0.000) 1.347 2.825 ( 1.032 0.417 0.000) 1.113 2.958 ( -2.943 -0.256 0.000) 2.954 2.974 ( -3.436 -0.904 -0.000) 3.553 3.077 ( -0.973 0.134 0.000) 0.983 3.120 ( -2.531 0.388 0.000) 2.561 3.722 ( 5.967 0.220 -0.000) 5.971 3.751 ( 5.532 -0.062 -0.000) 5.532 4.200 ( -0.786 -0.298 -0.000) 0.840 4.214 ( -1.269 -0.506 -0.000) 1.366 4.281 ( -0.166 0.240 0.000) 0.292 4.292 ( -0.577 0.157 0.000) 0.598 4.581 ( -2.833 0.175 0.000) 2.839 4.583 ( -3.447 0.096 0.000) 3.449 5.136 ( 0.597 0.422 0.000) 0.731 5.147 ( 0.463 0.296 0.000) 0.549 7.224 ( -0.311 0.133 0.000) 0.339 7.237 ( -0.773 0.449 0.000) 0.895 9.287 ( -1.081 -0.980 -0.000) 1.459 9.295 ( -1.729 -0.981 -0.000) 1.988 9.374 ( -0.188 0.438 0.000) 0.477 9.404 ( -1.132 2.013 0.000) 2.309 9.443 ( 1.373 0.709 0.000) 1.545 9.515 ( -2.022 -0.507 -0.000) 2.085 ======================= Grid point 220 (90/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 2.476 -0.000 1.248) 2.773 0.796 ( 1.416 0.000 -0.223) 1.433 0.842 ( -0.468 -0.000 4.262) 4.288 0.920 ( 1.327 -0.000 -0.653) 1.478 1.021 ( 4.577 -0.000 2.234) 5.093 1.071 ( 0.511 0.000 -0.162) 0.536 1.082 ( 1.323 -0.000 -0.293) 1.355 1.145 ( -2.637 -0.000 -3.497) 4.380 1.260 ( -2.450 0.000 0.505) 2.501 1.262 ( -0.549 -0.000 1.526) 1.622 1.429 ( -4.205 0.000 -0.245) 4.212 1.500 ( -2.681 -0.000 -2.619) 3.748 1.530 ( 0.088 -0.000 0.553) 0.560 1.557 ( 0.704 -0.000 -0.767) 1.041 1.708 ( 0.378 -0.000 2.590) 2.618 1.754 ( -0.353 0.000 0.003) 0.353 1.793 ( 2.341 -0.000 1.904) 3.018 1.816 ( 1.041 -0.000 -0.303) 1.084 1.920 ( -0.539 0.000 0.359) 0.648 1.937 ( -0.302 0.000 1.200) 1.237 1.987 ( -0.673 -0.000 -0.773) 1.025 2.009 ( -0.067 0.000 -0.537) 0.541 2.651 ( 20.712 0.000 0.422) 20.716 2.662 ( 17.389 0.000 -0.241) 17.391 2.733 ( 0.008 0.000 0.198) 0.198 2.745 ( 2.374 -0.000 -0.591) 2.447 3.056 ( -16.755 -0.000 0.061) 16.755 3.061 ( -16.677 -0.000 -0.270) 16.679 3.095 ( 0.326 -0.000 0.529) 0.622 3.105 ( 0.329 -0.000 -0.069) 0.336 3.194 ( -0.068 -0.000 1.018) 1.020 3.217 ( 0.377 -0.000 -0.539) 0.658 4.271 ( 0.665 0.000 0.097) 0.672 4.272 ( 0.864 -0.000 0.073) 0.867 4.308 ( -0.025 -0.000 0.491) 0.492 4.321 ( -0.043 0.000 -0.423) 0.426 4.843 ( 3.144 0.000 0.279) 3.156 4.851 ( 2.967 -0.000 -0.299) 2.982 5.036 ( -2.122 -0.000 0.601) 2.205 5.046 ( -1.700 0.000 -0.095) 1.703 7.265 ( 0.697 -0.000 0.236) 0.736 7.268 ( 0.494 0.000 0.041) 0.496 9.351 ( -0.570 -0.000 0.238) 0.617 9.352 ( -0.466 0.000 0.135) 0.485 9.390 ( 0.219 -0.000 0.332) 0.398 9.410 ( 0.397 0.000 -1.212) 1.275 9.515 ( 0.743 0.000 2.156) 2.280 9.564 ( -0.110 0.000 -1.415) 1.419 ======================= Grid point 230 (91/125) ======================= q-point: ( 0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -5.584 -0.640 1.854) 5.919 0.767 ( -3.264 -0.667 -1.873) 3.822 0.871 ( 0.919 -0.118 6.542) 6.607 0.980 ( 0.616 -0.458 -4.534) 4.599 1.005 ( 0.347 1.106 2.839) 3.066 1.027 ( -2.994 -0.644 3.987) 5.028 1.106 ( -1.260 0.290 -4.934) 5.101 1.139 ( -2.302 -1.455 -3.304) 4.282 1.272 ( 4.153 2.824 0.289) 5.030 1.275 ( 4.999 2.515 0.037) 5.596 1.396 ( 0.032 -0.216 1.895) 1.908 1.453 ( -0.786 -1.038 -2.409) 2.739 1.568 ( 2.270 1.038 0.734) 2.602 1.598 ( 2.970 -2.129 0.647) 3.711 1.719 ( -0.392 -1.340 2.593) 2.945 1.752 ( 0.049 -0.432 -0.218) 0.486 1.815 ( 0.180 1.210 1.139) 1.672 1.831 ( -0.202 -0.865 1.418) 1.673 1.901 ( -1.459 0.175 0.331) 1.506 1.934 ( -0.282 -0.402 -1.209) 1.305 1.957 ( -0.864 2.874 -0.804) 3.107 2.003 ( -0.974 -1.341 -0.854) 1.864 2.694 ( -19.705 0.405 0.265) 19.711 2.699 ( -19.444 0.216 -0.085) 19.445 2.731 ( -0.397 0.027 0.094) 0.409 2.734 ( 0.845 -0.066 -0.183) 0.867 3.035 ( 17.885 -0.154 0.224) 17.887 3.041 ( 17.640 -0.164 -0.369) 17.645 3.105 ( -0.127 0.046 0.545) 0.562 3.113 ( -0.066 0.070 -0.231) 0.250 3.190 ( -0.788 0.083 1.102) 1.357 3.211 ( -0.664 -0.092 -0.867) 1.096 4.278 ( -0.211 0.027 0.078) 0.226 4.278 ( -0.307 0.010 0.080) 0.317 4.306 ( -0.284 0.143 0.241) 0.399 4.313 ( -0.539 -0.132 -0.249) 0.609 4.844 ( -3.141 0.058 0.263) 3.153 4.850 ( -3.035 -0.068 -0.233) 3.044 5.038 ( 2.051 0.151 0.608) 2.144 5.048 ( 1.889 -0.065 -0.243) 1.906 7.271 ( -0.163 0.082 0.183) 0.259 7.273 ( 0.020 0.046 0.032) 0.059 9.339 ( -1.007 -0.269 0.220) 1.065 9.341 ( -0.928 -0.594 0.273) 1.135 9.393 ( 0.124 0.339 0.396) 0.536 9.408 ( 0.081 0.223 -1.230) 1.252 9.522 ( -0.278 1.427 1.192) 1.880 9.559 ( -0.372 -1.210 -0.544) 1.378 ======================= Grid point 231 (92/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 2.091 -0.000 1.121) 2.373 0.792 ( 1.578 0.000 -0.749) 1.747 0.879 ( 0.085 0.000 3.775) 3.776 0.907 ( 0.859 -0.000 -2.315) 2.470 1.041 ( 5.892 0.000 2.251) 6.307 1.060 ( 6.574 -0.000 -1.881) 6.838 1.092 ( -4.480 -0.000 2.032) 4.919 1.115 ( -3.890 0.000 -3.107) 4.978 1.265 ( -2.468 0.000 0.569) 2.532 1.268 ( -1.865 -0.000 0.011) 1.865 1.441 ( -3.513 0.000 2.690) 4.425 1.470 ( -3.043 -0.000 -3.622) 4.730 1.539 ( 1.128 -0.000 1.111) 1.583 1.549 ( 1.187 0.000 -1.122) 1.633 1.730 ( 0.303 -0.000 2.302) 2.322 1.748 ( 0.129 0.000 -1.475) 1.481 1.807 ( 2.131 -0.000 1.158) 2.425 1.814 ( 1.629 0.000 -0.426) 1.684 1.927 ( -1.023 0.000 1.240) 1.607 1.938 ( -0.907 -0.000 -0.862) 1.251 1.989 ( -0.556 -0.000 1.046) 1.184 2.000 ( -0.341 0.000 -1.277) 1.321 2.655 ( 19.932 -0.000 0.449) 19.937 2.659 ( 18.771 0.000 -0.377) 18.775 2.736 ( 0.532 0.000 0.358) 0.641 2.740 ( 1.361 -0.000 -0.514) 1.455 3.057 ( -16.565 0.000 0.124) 16.565 3.059 ( -16.533 -0.000 -0.198) 16.534 3.100 ( 0.225 -0.000 0.464) 0.515 3.103 ( 0.228 0.000 -0.294) 0.372 3.203 ( 0.012 -0.000 0.991) 0.992 3.211 ( 0.176 -0.000 -0.800) 0.819 4.272 ( 0.724 0.000 0.047) 0.726 4.272 ( 0.793 -0.000 0.020) 0.793 4.313 ( -0.025 -0.000 0.533) 0.534 4.317 ( -0.032 0.000 -0.506) 0.507 4.846 ( 3.082 0.000 0.324) 3.099 4.849 ( 3.021 -0.000 -0.332) 3.039 5.041 ( -1.947 -0.000 0.495) 2.009 5.045 ( -1.800 0.000 -0.295) 1.824 7.266 ( 0.657 -0.000 0.166) 0.678 7.267 ( 0.587 0.000 -0.056) 0.590 9.352 ( -0.473 0.000 0.106) 0.485 9.353 ( -0.438 -0.000 0.045) 0.441 9.394 ( 0.226 -0.000 0.605) 0.646 9.401 ( 0.288 0.000 -0.914) 0.958 9.533 ( 0.519 0.000 2.005) 2.071 9.550 ( 0.223 0.000 -1.753) 1.767 ======================= Grid point 240 (93/125) ======================= q-point: ( 0.33 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -2.337 -0.939 2.211) 3.351 0.709 ( -1.952 -1.334 -2.455) 3.408 0.839 ( -5.776 4.963 1.554) 7.772 0.944 ( -2.264 -0.978 2.790) 3.723 0.994 ( -2.168 -0.159 2.700) 3.466 1.044 ( -1.648 -1.083 -2.762) 3.394 1.059 ( 2.821 0.754 -2.619) 3.922 1.123 ( 0.695 -2.750 -1.507) 3.212 1.303 ( 1.932 4.674 0.932) 5.143 1.315 ( 2.070 4.497 -1.650) 5.218 1.445 ( 0.996 -2.358 1.680) 3.062 1.469 ( 3.165 -2.198 -1.287) 4.063 1.606 ( 2.117 0.012 0.179) 2.125 1.674 ( 0.803 -4.132 0.056) 4.209 1.714 ( -2.031 0.180 1.458) 2.506 1.773 ( 0.370 -0.584 -0.347) 0.774 1.815 ( 1.172 0.920 1.313) 1.986 1.831 ( -0.165 -0.150 0.903) 0.930 1.871 ( -2.199 2.400 2.298) 3.984 1.915 ( -0.448 0.905 -1.163) 1.540 1.923 ( -0.225 -0.724 -2.528) 2.639 1.979 ( -1.970 -0.310 -0.748) 2.130 2.313 ( -19.746 0.591 -0.002) 19.755 2.317 ( -19.303 0.460 -0.005) 19.309 2.756 ( 1.938 0.180 0.165) 1.953 2.763 ( 2.022 -0.107 -0.098) 2.027 3.082 ( -2.323 0.430 0.165) 2.368 3.091 ( -1.682 0.109 -0.040) 1.685 3.166 ( -1.731 -0.211 1.124) 2.074 3.177 ( -1.808 -0.174 -1.177) 2.165 3.345 ( 14.491 -0.044 0.068) 14.491 3.352 ( 14.483 -0.393 -0.000) 14.489 4.258 ( -1.584 0.238 0.127) 1.607 4.263 ( -1.299 0.019 -0.082) 1.302 4.299 ( -0.298 0.165 -0.024) 0.341 4.307 ( -0.397 -0.341 0.016) 0.524 4.760 ( -5.358 0.132 0.240) 5.365 4.765 ( -5.445 -0.124 -0.203) 5.450 5.086 ( 2.579 0.210 0.138) 2.592 5.091 ( 2.382 -0.017 -0.043) 2.383 7.262 ( -0.788 0.173 0.311) 0.865 7.264 ( -0.701 0.198 -0.272) 0.778 9.322 ( -1.275 -0.803 0.110) 1.511 9.331 ( -1.218 -1.509 0.212) 1.951 9.390 ( -0.115 0.913 -0.033) 0.921 9.404 ( 0.273 0.250 -0.502) 0.624 9.495 ( -1.311 2.217 0.256) 2.588 9.563 ( -0.532 -1.781 0.107) 1.862 ======================= Grid point 241 (94/125) ======================= q-point: ( 0.44 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -4.554 0.028 0.000) 4.554 0.754 ( -4.461 -1.247 -0.000) 4.632 0.918 ( 1.410 1.316 0.000) 1.929 0.942 ( 1.434 -1.988 -0.000) 2.451 1.024 ( -0.737 2.112 0.000) 2.237 1.050 ( -0.475 -1.410 -0.000) 1.488 1.080 ( -3.721 1.544 0.000) 4.029 1.117 ( -2.870 -2.813 -0.000) 4.019 1.273 ( 4.231 2.768 0.000) 5.056 1.275 ( 4.888 2.638 0.000) 5.554 1.413 ( 0.008 0.574 0.000) 0.574 1.435 ( -0.526 -1.904 -0.000) 1.976 1.571 ( 2.083 1.023 0.000) 2.320 1.601 ( 3.198 -2.182 -0.000) 3.872 1.739 ( 0.775 -0.375 -0.000) 0.861 1.743 ( -1.020 -1.393 -0.000) 1.726 1.821 ( 0.466 1.476 0.000) 1.548 1.838 ( 0.113 -0.777 -0.000) 0.785 1.911 ( -0.896 0.183 0.000) 0.914 1.916 ( -1.304 -0.322 -0.000) 1.343 1.958 ( -1.033 3.173 0.000) 3.337 1.999 ( -1.091 -1.818 -0.000) 2.120 2.696 ( -19.427 0.457 0.000) 19.432 2.699 ( -20.339 0.220 0.000) 20.340 2.731 ( 0.121 0.067 0.000) 0.138 2.732 ( 0.948 -0.161 -0.000) 0.961 3.037 ( 17.747 -0.062 -0.000) 17.747 3.039 ( 17.746 -0.266 -0.000) 17.748 3.110 ( 0.051 0.089 0.000) 0.103 3.110 ( -0.226 0.047 0.000) 0.230 3.198 ( -0.638 0.460 0.000) 0.787 3.205 ( -0.798 -0.448 -0.000) 0.915 4.278 ( -0.245 0.042 0.000) 0.249 4.278 ( -0.248 0.003 0.000) 0.248 4.307 ( -0.473 0.300 0.000) 0.560 4.312 ( -0.385 -0.284 -0.000) 0.479 4.846 ( -3.084 0.163 0.000) 3.088 4.848 ( -3.065 -0.173 0.000) 3.070 5.041 ( 2.018 0.353 0.000) 2.049 5.046 ( 1.889 -0.239 -0.000) 1.904 7.272 ( -0.059 0.110 0.000) 0.125 7.273 ( -0.100 0.034 0.000) 0.106 9.340 ( -0.993 -0.229 -0.000) 1.019 9.343 ( -0.900 -0.629 -0.000) 1.098 9.398 ( -0.052 0.374 0.000) 0.377 9.400 ( 0.194 0.179 0.000) 0.264 9.528 ( -0.414 1.914 0.000) 1.958 9.556 ( -0.204 -1.672 -0.000) 1.684 ======================= Grid point 249 (95/125) ======================= q-point: ( 0.33 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -1.156 2.801 0.000) 3.030 0.657 ( -7.515 7.047 0.000) 10.302 0.690 ( -0.429 2.697 0.000) 2.731 0.918 ( -2.211 -1.909 -0.000) 2.921 0.945 ( -2.585 2.339 0.000) 3.486 1.019 ( -1.451 -0.073 0.000) 1.453 1.109 ( 2.697 0.599 0.000) 2.762 1.147 ( 0.059 -0.618 -0.000) 0.621 1.297 ( -0.518 1.994 0.000) 2.060 1.314 ( 0.486 0.670 0.000) 0.827 1.448 ( -2.579 -2.352 -0.000) 3.490 1.546 ( -14.655 -1.583 0.000) 14.740 1.573 ( 5.036 -2.571 -0.000) 5.655 1.605 ( -5.034 0.770 0.000) 5.093 1.694 ( -6.165 1.936 0.000) 6.462 1.719 ( -0.641 -0.554 -0.000) 0.847 1.793 ( -0.640 2.329 0.000) 2.415 1.849 ( 1.828 -0.232 -0.000) 1.842 1.866 ( 2.136 0.948 0.000) 2.337 1.907 ( -1.152 -0.556 -0.000) 1.279 1.945 ( -0.186 -3.494 -0.000) 3.499 1.957 ( 0.996 0.183 0.000) 1.013 2.062 ( -7.464 -1.207 -0.000) 7.561 2.067 ( -2.509 0.796 0.000) 2.632 2.793 ( 2.014 0.236 -0.000) 2.027 2.803 ( 2.063 -0.097 -0.000) 2.065 3.021 ( -3.688 0.344 0.000) 3.704 3.048 ( -2.932 -0.254 0.000) 2.943 3.124 ( -3.086 -0.036 0.000) 3.087 3.141 ( -1.669 -0.377 -0.000) 1.711 3.579 ( 10.590 -0.166 -0.000) 10.592 3.587 ( 10.439 -0.443 -0.000) 10.449 4.224 ( -1.766 0.216 0.000) 1.779 4.236 ( -1.534 -0.252 -0.000) 1.555 4.291 ( -0.422 0.186 0.000) 0.461 4.301 ( -0.442 -0.170 -0.000) 0.474 4.661 ( -4.995 0.130 0.000) 4.997 4.663 ( -5.329 -0.029 0.000) 5.329 5.122 ( 1.461 0.221 0.000) 1.477 5.126 ( 1.396 0.171 -0.000) 1.406 7.245 ( -0.930 0.115 0.000) 0.937 7.246 ( -0.857 0.173 0.000) 0.874 9.308 ( -1.149 -1.435 -0.000) 1.838 9.318 ( -1.864 -1.920 -0.000) 2.676 9.385 ( 0.629 0.760 0.000) 0.987 9.404 ( -0.254 0.448 0.000) 0.515 9.449 ( -1.289 2.692 0.000) 2.985 9.564 ( -0.991 -1.905 -0.000) 2.147 ======================= Grid point 258 (96/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -0.000 11.128 0.000) 11.128 0.628 ( -0.000 8.648 0.000) 8.648 0.689 ( -0.000 3.821 0.000) 3.821 0.883 ( 0.000 -6.896 -0.000) 6.896 0.887 ( -0.000 13.487 0.000) 13.487 0.910 ( -0.000 8.194 0.000) 8.194 0.995 ( -0.000 9.715 0.000) 9.715 1.072 ( -0.000 0.091 0.000) 0.091 1.160 ( -0.000 1.148 0.000) 1.148 1.228 ( -0.000 2.205 0.000) 2.205 1.354 ( 0.000 -7.309 -0.000) 7.309 1.370 ( 0.000 -6.506 -0.000) 6.506 1.535 ( 0.000 -1.687 -0.000) 1.687 1.611 ( -0.000 2.093 0.000) 2.093 1.676 ( 0.000 -0.721 -0.000) 0.721 1.693 ( 0.000 -5.052 -0.000) 5.052 1.813 ( -0.000 0.754 0.000) 0.754 1.866 ( 0.000 -1.603 -0.000) 1.603 1.877 ( 0.000 -2.231 -0.000) 2.231 1.887 ( 0.000 -2.848 -0.000) 2.848 1.948 ( -0.000 0.896 0.000) 0.896 1.984 ( 0.000 -0.734 -0.000) 0.734 2.025 ( -0.000 1.903 0.000) 1.903 2.203 ( 0.000 -4.781 -0.000) 4.781 2.838 ( -0.000 0.270 0.000) 0.270 2.849 ( -0.000 0.009 0.000) 0.009 2.921 ( 0.000 -0.526 -0.000) 0.526 2.938 ( 0.000 -1.373 -0.000) 1.373 3.056 ( -0.000 0.938 0.000) 0.938 3.102 ( 0.000 -0.870 -0.000) 0.870 3.780 ( -0.000 0.558 0.000) 0.558 3.786 ( 0.000 -0.050 -0.000) 0.050 4.185 ( -0.000 0.012 0.000) 0.012 4.197 ( 0.000 -0.567 -0.000) 0.567 4.281 ( -0.000 0.311 0.000) 0.311 4.294 ( 0.000 -0.243 -0.000) 0.243 4.552 ( -0.000 0.073 0.000) 0.073 4.554 ( 0.000 -0.008 -0.000) 0.008 5.143 ( -0.000 0.322 0.000) 0.322 5.144 ( -0.000 0.479 0.000) 0.479 7.225 ( 0.000 -0.072 -0.000) 0.072 7.228 ( 0.000 -0.161 -0.000) 0.161 9.263 ( 0.000 -0.308 -0.000) 0.308 9.283 ( 0.000 -1.656 -0.000) 1.656 9.371 ( -0.000 1.785 0.000) 1.785 9.425 ( 0.000 -1.086 -0.000) 1.086 9.445 ( -0.000 2.169 0.000) 2.169 9.515 ( 0.000 -0.731 -0.000) 0.731 ======================= Grid point 259 (97/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -4.990 8.455 -0.379) 9.825 0.688 ( 0.560 5.091 0.630) 5.160 0.723 ( -0.370 3.338 1.019) 3.510 0.839 ( -2.093 -4.975 -3.011) 6.181 0.967 ( 0.238 5.961 0.122) 5.967 0.999 ( -0.452 3.432 2.238) 4.122 1.131 ( -2.697 2.063 -3.177) 4.650 1.155 ( -0.993 2.390 1.359) 2.923 1.205 ( -10.429 4.384 0.767) 11.339 1.280 ( -5.713 2.656 1.009) 6.380 1.323 ( -3.658 -7.577 0.433) 8.425 1.340 ( -2.666 -4.819 0.680) 5.549 1.522 ( -0.696 0.910 -0.621) 1.303 1.620 ( 2.344 -3.457 -1.381) 4.399 1.652 ( -1.864 1.415 0.712) 2.446 1.690 ( -1.453 -0.893 0.110) 1.709 1.804 ( 0.895 0.862 -1.215) 1.738 1.859 ( 0.098 -0.939 -0.508) 1.072 1.875 ( -1.000 -1.201 0.920) 1.813 1.881 ( -1.390 -2.332 1.698) 3.202 1.938 ( 1.399 0.251 -1.160) 1.834 1.970 ( 0.799 -1.103 1.485) 2.015 2.024 ( 1.426 1.980 0.394) 2.472 2.112 ( 4.520 -3.071 -0.763) 5.518 2.827 ( 1.347 0.310 -0.063) 1.384 2.834 ( 1.351 -0.083 -0.037) 1.354 2.953 ( -3.407 0.061 -0.008) 3.407 2.973 ( -3.930 -1.196 -0.148) 4.111 3.081 ( -1.749 0.813 -0.050) 1.930 3.108 ( -1.366 -0.753 0.278) 1.584 3.730 ( 5.773 -0.003 -0.367) 5.785 3.734 ( 5.604 -0.079 0.500) 5.627 4.197 ( -1.192 0.125 0.007) 1.198 4.206 ( -1.252 -0.465 0.025) 1.336 4.286 ( -0.285 0.271 -0.028) 0.394 4.294 ( -0.237 -0.197 0.001) 0.308 4.583 ( -3.169 0.124 0.003) 3.172 4.584 ( -3.144 0.027 0.002) 3.144 5.141 ( 0.496 0.262 -0.058) 0.564 5.144 ( 0.440 0.178 0.134) 0.493 7.230 ( -0.569 -0.014 -0.257) 0.624 7.233 ( -0.651 -0.019 0.342) 0.735 9.275 ( -1.398 -0.859 -0.004) 1.641 9.278 ( -0.779 -1.234 -0.049) 1.460 9.393 ( -0.728 0.965 -0.419) 1.279 9.407 ( 0.726 0.209 0.634) 0.986 9.460 ( 0.000 2.322 -0.061) 2.323 9.524 ( -1.372 -1.761 -0.247) 2.246 ======================= Grid point 260 (98/125) ======================= q-point: ( 0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 2.709 1.762 -2.297) 3.965 0.702 ( -0.955 0.739 0.687) 1.390 0.780 ( -3.035 4.390 -0.610) 5.371 0.853 ( -4.220 -2.491 -2.534) 5.517 0.984 ( 1.466 1.066 0.761) 1.966 1.008 ( -1.313 -1.163 1.773) 2.494 1.127 ( 1.857 0.825 1.184) 2.351 1.140 ( 1.953 -0.641 0.168) 2.062 1.334 ( -1.558 2.848 0.134) 3.249 1.359 ( -1.420 1.999 3.171) 4.009 1.419 ( -2.929 -0.560 -0.003) 2.982 1.468 ( -5.712 -5.594 -0.007) 7.995 1.573 ( -2.535 0.743 -1.640) 3.109 1.604 ( -4.821 -0.588 0.177) 4.860 1.692 ( -1.897 -0.166 -1.792) 2.615 1.737 ( -3.732 0.321 3.103) 4.864 1.813 ( -1.373 1.354 -3.639) 4.118 1.833 ( 1.099 0.688 -4.037) 4.241 1.868 ( 2.209 -0.185 -0.709) 2.327 1.912 ( -1.066 -0.478 1.208) 1.681 1.923 ( -1.224 0.767 2.024) 2.486 1.963 ( -0.850 -1.853 3.489) 4.041 2.053 ( -6.195 0.505 -0.224) 6.219 2.067 ( -4.641 -0.692 -0.009) 4.693 2.795 ( 2.099 0.137 -0.328) 2.129 2.802 ( 2.039 -0.025 0.231) 2.053 3.028 ( -3.811 0.552 -0.152) 3.854 3.039 ( -3.719 -0.664 -0.093) 3.779 3.119 ( -2.170 0.037 -1.091) 2.429 3.144 ( -2.245 -0.118 1.326) 2.610 3.576 ( 10.511 -0.019 -0.292) 10.515 3.583 ( 10.665 -0.214 0.260) 10.670 4.226 ( -1.792 0.147 -0.206) 1.809 4.233 ( -1.793 -0.185 0.205) 1.814 4.293 ( -0.374 0.134 -0.183) 0.438 4.299 ( -0.352 -0.142 0.161) 0.412 4.661 ( -4.986 0.049 -0.255) 4.992 4.665 ( -5.225 0.015 0.242) 5.231 5.125 ( 1.456 0.170 -0.033) 1.466 5.127 ( 1.548 -0.033 -0.026) 1.548 7.243 ( -0.998 0.043 -0.370) 1.065 7.251 ( -0.950 0.080 0.470) 1.063 9.291 ( -1.313 -0.474 -0.166) 1.406 9.294 ( -1.466 -0.858 -0.203) 1.711 9.399 ( -0.025 0.777 0.225) 0.809 9.409 ( 0.228 -0.189 0.621) 0.688 9.490 ( -1.054 2.655 -0.338) 2.876 9.529 ( -1.151 -2.317 -0.354) 2.611 ======================= Grid point 261 (99/125) ======================= q-point: ( 0.67 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -1.544 -0.000 -3.066) 3.433 0.728 ( -1.427 0.000 3.632) 3.903 0.828 ( -2.407 -0.000 -7.356) 7.740 0.929 ( -4.008 -0.000 -0.257) 4.017 0.958 ( -0.448 -0.000 -4.171) 4.195 1.068 ( -1.245 0.000 2.700) 2.973 1.088 ( 0.503 0.000 2.390) 2.442 1.131 ( 0.491 0.000 5.876) 5.897 1.351 ( 1.943 -0.000 -0.247) 1.959 1.381 ( 2.990 0.000 2.277) 3.759 1.408 ( 2.554 -0.000 -0.832) 2.686 1.447 ( -0.139 0.000 0.208) 0.250 1.601 ( 0.014 -0.000 -1.442) 1.442 1.633 ( 2.005 0.000 0.781) 2.152 1.696 ( 0.005 -0.000 -3.537) 3.537 1.769 ( 1.480 -0.000 -0.418) 1.538 1.805 ( 0.269 -0.000 -2.889) 2.902 1.806 ( -0.761 -0.000 -3.056) 3.149 1.863 ( -2.621 0.000 0.337) 2.643 1.928 ( -0.917 -0.000 -0.318) 0.970 1.977 ( 0.676 0.000 4.397) 4.449 1.977 ( -1.740 0.000 1.598) 2.362 2.316 ( -19.528 -0.000 -0.197) 19.529 2.321 ( -19.980 -0.000 0.125) 19.981 2.754 ( 1.958 -0.000 -0.400) 1.999 2.764 ( 2.037 0.000 0.278) 2.056 3.082 ( -1.987 -0.000 -0.518) 2.053 3.093 ( -2.056 0.000 0.161) 2.062 3.153 ( -1.942 -0.000 -1.118) 2.241 3.187 ( -1.585 0.000 1.226) 2.004 3.344 ( 14.444 0.000 -0.286) 14.447 3.348 ( 14.536 0.000 0.075) 14.536 4.258 ( -1.564 -0.000 -0.284) 1.589 4.264 ( -1.315 0.000 0.132) 1.322 4.301 ( -0.581 -0.000 -0.054) 0.584 4.303 ( -0.119 0.000 0.076) 0.141 4.757 ( -5.382 -0.000 -0.388) 5.396 4.767 ( -5.381 0.000 0.289) 5.389 5.085 ( 2.746 -0.000 -0.397) 2.774 5.092 ( 2.305 0.000 0.081) 2.307 7.260 ( -0.850 -0.000 -0.335) 0.913 7.268 ( -0.565 0.000 0.213) 0.604 9.314 ( -1.327 -0.000 -0.381) 1.381 9.315 ( -1.366 -0.000 -0.317) 1.403 9.399 ( 0.468 0.000 0.101) 0.479 9.413 ( -0.298 0.000 1.270) 1.304 9.514 ( -0.564 -0.000 -1.533) 1.634 9.541 ( -1.228 0.000 0.465) 1.313 ======================= Grid point 269 (100/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -0.000 10.490 1.795) 10.642 0.634 ( -0.000 8.749 1.333) 8.850 0.695 ( 0.000 4.032 1.440) 4.282 0.846 ( -0.000 -4.269 -6.865) 8.084 0.863 ( -0.000 10.203 -3.203) 10.694 0.945 ( 0.000 11.094 5.675) 12.461 1.022 ( 0.000 7.119 4.649) 8.502 1.063 ( -0.000 1.130 -2.155) 2.433 1.153 ( -0.000 0.176 -1.177) 1.190 1.224 ( -0.000 1.910 -0.707) 2.037 1.365 ( 0.000 -6.731 2.334) 7.125 1.374 ( 0.000 -6.216 0.885) 6.279 1.523 ( -0.000 -1.415 -2.461) 2.839 1.613 ( 0.000 1.969 0.555) 2.046 1.675 ( -0.000 -3.994 -3.820) 5.527 1.676 ( 0.000 -0.580 -0.074) 0.585 1.819 ( 0.000 0.075 1.185) 1.187 1.857 ( -0.000 -1.833 -0.874) 2.030 1.896 ( 0.000 -2.764 1.988) 3.404 1.899 ( 0.000 -2.140 3.353) 3.978 1.948 ( -0.000 0.845 0.021) 0.846 1.987 ( 0.000 -0.849 0.722) 1.114 2.029 ( 0.000 1.503 0.855) 1.729 2.192 ( -0.000 -4.551 -2.443) 5.166 2.838 ( -0.000 0.283 -0.093) 0.298 2.847 ( -0.000 0.070 -0.315) 0.323 2.921 ( 0.000 -0.524 -0.001) 0.524 2.937 ( 0.000 -1.322 -0.228) 1.341 3.058 ( 0.000 0.945 0.447) 1.046 3.101 ( 0.000 -0.766 -0.115) 0.775 3.782 ( 0.000 0.548 0.231) 0.595 3.788 ( 0.000 -0.064 0.285) 0.292 4.186 ( 0.000 -0.028 0.156) 0.158 4.197 ( 0.000 -0.559 -0.033) 0.560 4.281 ( -0.000 0.308 0.042) 0.310 4.293 ( -0.000 -0.198 -0.161) 0.256 4.552 ( -0.000 0.073 -0.004) 0.073 4.554 ( -0.000 -0.004 -0.027) 0.027 5.144 ( 0.000 0.298 0.192) 0.355 5.145 ( -0.000 0.473 0.089) 0.482 7.225 ( 0.000 -0.034 0.046) 0.057 7.228 ( 0.000 -0.117 0.007) 0.117 9.263 ( 0.000 -0.321 0.124) 0.344 9.282 ( 0.000 -1.571 -0.171) 1.581 9.371 ( -0.000 1.736 0.197) 1.748 9.421 ( -0.000 -0.534 -0.828) 0.986 9.449 ( 0.000 1.645 0.760) 1.812 9.512 ( -0.000 -0.600 -0.590) 0.841 ======================= Grid point 270 (101/125) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -3.722 7.564 -0.954) 8.484 0.700 ( 0.920 5.114 2.049) 5.586 0.739 ( -0.993 2.745 2.605) 3.913 0.797 ( -2.093 -3.457 -5.406) 6.750 0.969 ( -2.745 4.267 -0.001) 5.073 1.019 ( 1.871 5.005 0.733) 5.394 1.110 ( -3.343 2.176 -0.633) 4.038 1.153 ( 0.223 2.540 -1.106) 2.779 1.221 ( -11.303 3.153 2.430) 11.984 1.290 ( -8.037 0.537 0.649) 8.081 1.334 ( -2.061 -5.250 1.853) 5.937 1.353 ( -1.453 -3.638 2.410) 4.599 1.512 ( -1.255 0.793 -1.585) 2.172 1.600 ( 1.778 -2.663 -2.737) 4.213 1.658 ( -1.518 0.806 0.398) 1.765 1.693 ( -2.059 -0.281 0.720) 2.199 1.788 ( 1.881 0.432 -2.055) 2.820 1.854 ( 0.862 -1.012 -0.463) 1.407 1.888 ( -0.412 -0.941 1.742) 2.022 1.904 ( -0.680 -2.231 3.253) 4.003 1.928 ( 1.368 0.029 -0.883) 1.629 1.982 ( 0.424 -0.815 0.839) 1.244 2.033 ( 0.917 0.971 1.708) 2.168 2.099 ( 4.020 -2.692 -2.147) 5.293 2.826 ( 1.394 0.279 -0.169) 1.432 2.834 ( 1.258 0.041 -0.088) 1.261 2.953 ( -3.403 0.030 -0.006) 3.403 2.971 ( -3.892 -1.087 -0.381) 4.059 3.080 ( -1.352 0.606 -0.056) 1.483 3.112 ( -1.698 -0.456 0.631) 1.868 3.727 ( 5.880 0.061 -0.232) 5.885 3.739 ( 5.664 -0.145 0.564) 5.693 4.197 ( -1.129 0.059 0.017) 1.131 4.206 ( -1.293 -0.420 0.063) 1.361 4.285 ( -0.228 0.228 -0.069) 0.330 4.294 ( -0.308 -0.128 0.003) 0.333 4.583 ( -3.129 0.124 0.011) 3.131 4.584 ( -3.198 0.029 0.002) 3.198 5.141 ( 0.543 0.249 -0.046) 0.599 5.146 ( 0.471 0.160 0.234) 0.550 7.228 ( -0.449 -0.011 -0.179) 0.484 7.237 ( -0.752 0.068 0.394) 0.852 9.274 ( -1.284 -0.866 -0.036) 1.549 9.278 ( -0.774 -1.183 -0.107) 1.417 9.389 ( -0.357 0.779 -0.422) 0.955 9.415 ( -0.008 0.530 1.014) 1.144 9.459 ( 0.183 2.144 -0.161) 2.158 9.520 ( -1.311 -1.580 -0.651) 2.153 ======================= Grid point 271 (102/125) ======================= q-point: ( 0.67 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 2.701 2.184 -2.563) 4.317 0.696 ( -2.422 -0.093 -2.392) 3.405 0.780 ( 0.094 1.347 1.216) 1.817 0.841 ( -4.913 0.195 -0.081) 4.918 0.975 ( 3.667 1.178 -2.662) 4.682 1.027 ( -2.770 -0.724 1.895) 3.433 1.131 ( 2.081 0.318 -0.475) 2.158 1.159 ( -0.602 0.043 4.287) 4.330 1.337 ( -1.265 3.083 0.551) 3.378 1.392 ( -0.934 2.649 3.126) 4.202 1.420 ( -2.785 -1.352 1.085) 3.280 1.468 ( -4.795 -5.194 0.129) 7.070 1.557 ( -2.333 0.002 -1.792) 2.942 1.604 ( -6.709 -0.304 -0.214) 6.720 1.679 ( -0.819 -0.231 -1.236) 1.500 1.764 ( -3.581 0.745 2.260) 4.300 1.775 ( -1.471 0.846 -4.132) 4.467 1.795 ( 2.692 0.394 -3.984) 4.824 1.864 ( 3.154 -0.268 -0.502) 3.205 1.921 ( 0.131 -0.259 0.867) 0.914 1.943 ( -2.415 0.887 2.244) 3.414 1.993 ( -3.464 -1.652 2.889) 4.804 2.053 ( -4.855 0.602 0.120) 4.894 2.066 ( -4.775 -0.864 -0.117) 4.853 2.792 ( 2.143 0.072 -0.336) 2.171 2.804 ( 1.996 0.089 0.187) 2.007 3.026 ( -3.698 0.353 -0.243) 3.723 3.038 ( -3.859 -0.453 -0.132) 3.888 3.111 ( -1.956 -0.058 -0.843) 2.131 3.155 ( -2.293 -0.016 1.206) 2.591 3.574 ( 10.478 -0.044 -0.280) 10.482 3.585 ( 10.816 -0.192 0.228) 10.820 4.225 ( -1.738 0.062 -0.199) 1.750 4.235 ( -1.806 -0.109 0.196) 1.820 4.291 ( -0.393 0.062 -0.183) 0.438 4.300 ( -0.340 -0.069 0.150) 0.378 4.658 ( -4.866 0.057 -0.212) 4.871 4.667 ( -5.302 0.009 0.192) 5.306 5.125 ( 1.388 0.128 -0.050) 1.395 5.127 ( 1.728 -0.018 -0.041) 1.729 7.241 ( -0.964 0.037 -0.264) 1.000 7.255 ( -0.876 0.112 0.416) 0.977 9.289 ( -1.261 -0.477 -0.251) 1.371 9.292 ( -1.356 -0.826 -0.301) 1.616 9.402 ( -0.467 0.835 0.521) 1.089 9.416 ( 0.513 -0.256 0.859) 1.032 9.486 ( -0.831 2.502 -0.577) 2.699 9.525 ( -1.331 -2.130 -0.579) 2.577 ======================= Grid point 272 (103/125) ======================= q-point: ( 0.78 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -1.704 -0.000 -2.403) 2.946 0.755 ( -3.801 -0.000 -0.655) 3.857 0.772 ( 0.431 -0.000 -1.761) 1.813 0.919 ( 0.254 -0.000 -4.423) 4.430 0.927 ( -3.497 -0.000 -0.040) 3.497 1.080 ( -0.151 0.000 0.317) 0.351 1.111 ( -1.593 0.000 2.276) 2.778 1.189 ( -0.055 0.000 6.912) 6.912 1.350 ( 2.267 -0.000 -0.086) 2.268 1.385 ( 5.931 -0.000 -0.817) 5.987 1.427 ( 1.190 0.000 4.720) 4.868 1.440 ( -1.008 -0.000 -1.899) 2.150 1.588 ( -0.078 -0.000 -1.463) 1.465 1.637 ( 3.677 -0.000 -0.103) 3.678 1.664 ( 0.184 -0.000 -3.602) 3.607 1.752 ( -0.368 -0.000 -2.189) 2.220 1.776 ( -1.565 -0.000 -3.411) 3.753 1.788 ( 1.247 -0.000 -1.380) 1.860 1.875 ( -3.093 0.000 1.796) 3.577 1.926 ( -0.560 -0.000 -0.108) 0.570 1.989 ( -1.347 0.000 0.969) 1.659 2.013 ( 1.362 0.000 3.425) 3.686 2.315 ( -19.492 -0.000 -0.163) 19.493 2.322 ( -20.176 -0.000 0.053) 20.176 2.751 ( 1.935 -0.000 -0.326) 1.962 2.766 ( 2.059 0.000 0.190) 2.068 3.078 ( -1.957 -0.000 -0.448) 2.008 3.094 ( -2.024 -0.000 0.030) 2.024 3.144 ( -2.038 -0.000 -0.810) 2.193 3.197 ( -1.519 0.000 0.960) 1.797 3.341 ( 14.502 0.000 -0.293) 14.505 3.349 ( 14.584 0.000 0.036) 14.584 4.256 ( -1.579 -0.000 -0.232) 1.596 4.265 ( -1.193 0.000 0.057) 1.194 4.301 ( -0.734 -0.000 -0.025) 0.734 4.304 ( -0.020 0.000 0.052) 0.056 4.754 ( -5.370 -0.000 -0.309) 5.378 4.769 ( -5.372 0.000 0.196) 5.376 5.081 ( 2.917 -0.000 -0.356) 2.939 5.092 ( 2.246 0.000 -0.004) 2.246 7.257 ( -0.856 -0.000 -0.272) 0.898 7.270 ( -0.421 0.000 0.133) 0.441 9.311 ( -1.276 -0.000 -0.384) 1.333 9.312 ( -1.377 -0.000 -0.357) 1.422 9.401 ( 0.680 0.000 0.220) 0.715 9.426 ( -0.538 0.000 1.643) 1.729 9.499 ( -0.320 -0.000 -1.793) 1.821 9.544 ( -1.426 0.000 0.222) 1.443 ======================= Grid point 280 (104/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 0.000 8.654 3.212) 9.231 0.651 ( 0.000 9.030 2.469) 9.361 0.717 ( 0.000 4.925 3.474) 6.027 0.777 ( 0.000 -2.355 -8.224) 8.555 0.835 ( 0.000 8.171 -3.154) 8.758 1.001 ( -0.000 11.719 6.527) 13.414 1.027 ( -0.000 1.595 -4.985) 5.234 1.067 ( -0.000 6.778 4.162) 7.954 1.146 ( 0.000 -0.910 -0.181) 0.927 1.215 ( -0.000 1.280 -1.408) 1.903 1.387 ( -0.000 -5.506 2.007) 5.861 1.389 ( 0.000 -5.651 2.812) 6.312 1.497 ( 0.000 -1.023 -3.031) 3.199 1.614 ( 0.000 -0.081 -1.915) 1.917 1.637 ( 0.000 -0.606 -2.692) 2.759 1.674 ( 0.000 -0.208 -0.283) 0.351 1.830 ( 0.000 -0.770 1.173) 1.403 1.852 ( 0.000 -1.897 -0.314) 1.923 1.921 ( -0.000 -2.613 3.551) 4.409 1.927 ( 0.000 -1.880 2.622) 3.227 1.949 ( 0.000 0.696 0.044) 0.697 1.998 ( 0.000 -1.378 1.970) 2.404 2.039 ( 0.000 0.537 1.204) 1.318 2.160 ( -0.000 -3.967 -4.450) 5.962 2.837 ( -0.000 0.319 -0.136) 0.347 2.844 ( -0.000 0.207 -0.472) 0.515 2.921 ( 0.000 -0.530 0.048) 0.532 2.935 ( 0.000 -1.183 -0.388) 1.245 3.064 ( 0.000 0.935 0.816) 1.241 3.099 ( 0.000 -0.481 -0.297) 0.565 3.784 ( -0.000 0.509 0.396) 0.645 3.791 ( -0.000 -0.065 0.350) 0.356 4.187 ( 0.000 -0.127 0.259) 0.289 4.197 ( 0.000 -0.535 -0.076) 0.540 4.281 ( 0.000 0.295 0.088) 0.308 4.291 ( 0.000 -0.089 -0.263) 0.278 4.552 ( 0.000 0.071 -0.002) 0.071 4.554 ( 0.000 0.008 -0.045) 0.046 5.146 ( 0.000 0.454 0.151) 0.478 5.146 ( 0.000 0.259 0.254) 0.362 7.226 ( -0.000 0.061 0.076) 0.098 7.228 ( -0.000 -0.005 0.006) 0.008 9.265 ( 0.000 -0.366 0.223) 0.429 9.280 ( -0.000 -1.349 -0.307) 1.384 9.374 ( 0.000 1.590 0.420) 1.645 9.412 ( -0.000 0.029 -1.040) 1.040 9.457 ( -0.000 1.160 0.955) 1.502 9.505 ( 0.000 -0.283 -0.982) 1.022 ======================= Grid point 281 (105/125) ======================= q-point: ( 0.67 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -2.260 5.646 -0.468) 6.100 0.708 ( 1.708 3.279 -2.090) 4.247 0.761 ( -3.029 0.565 0.431) 3.111 0.772 ( -1.077 1.718 3.464) 4.014 0.961 ( -4.731 4.594 -1.848) 6.849 1.002 ( 1.496 3.096 -3.924) 5.217 1.124 ( -2.577 4.762 3.025) 6.202 1.146 ( 0.526 2.409 -0.398) 2.498 1.242 ( -10.541 0.957 1.923) 10.758 1.291 ( -9.371 -1.176 -0.116) 9.445 1.353 ( -1.102 -3.926 2.398) 4.731 1.382 ( -0.941 -0.241 3.858) 3.978 1.496 ( -1.857 0.069 -1.855) 2.625 1.572 ( 0.920 -1.841 -3.524) 4.081 1.658 ( -1.286 0.670 -0.205) 1.465 1.702 ( -2.813 0.446 1.148) 3.071 1.771 ( 3.491 0.033 -1.727) 3.895 1.851 ( 1.928 -1.052 -0.233) 2.209 1.904 ( 0.576 -1.102 1.808) 2.195 1.922 ( 1.808 -0.289 0.062) 1.832 1.938 ( -1.064 -2.070 3.604) 4.290 1.983 ( 0.898 -0.472 -0.587) 1.172 2.052 ( 0.223 -0.802 1.883) 2.058 2.076 ( 2.849 -1.643 -2.781) 4.307 2.824 ( 1.447 0.250 -0.205) 1.483 2.833 ( 1.135 0.212 -0.091) 1.158 2.953 ( -3.392 -0.030 0.033) 3.393 2.967 ( -3.835 -0.914 -0.461) 3.969 3.080 ( -0.893 0.402 0.010) 0.979 3.118 ( -2.056 -0.115 0.642) 2.157 3.726 ( 6.051 0.101 -0.104) 6.052 3.744 ( 5.741 -0.185 0.473) 5.763 4.197 ( -1.042 -0.031 0.021) 1.043 4.207 ( -1.349 -0.360 0.070) 1.398 4.285 ( -0.156 0.177 -0.076) 0.248 4.294 ( -0.401 -0.038 0.004) 0.403 4.583 ( -3.060 0.121 0.016) 3.062 4.584 ( -3.287 0.036 -0.003) 3.288 5.140 ( 0.610 0.236 -0.006) 0.654 5.148 ( 0.521 0.129 0.213) 0.578 7.227 ( -0.350 0.030 -0.089) 0.363 7.240 ( -0.822 0.165 0.333) 0.902 9.274 ( -1.024 -0.863 -0.118) 1.344 9.277 ( -0.853 -1.121 -0.062) 1.410 9.386 ( -0.340 0.739 -0.211) 0.840 9.424 ( -0.713 0.884 0.995) 1.510 9.457 ( 0.582 1.735 -0.205) 1.842 9.513 ( -1.198 -1.281 -0.800) 1.928 ======================= Grid point 282 (106/125) ======================= q-point: ( 0.78 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 2.335 1.868 -1.604) 3.393 0.666 ( -2.031 -0.794 -3.851) 4.426 0.803 ( 0.826 0.752 3.691) 3.857 0.847 ( -4.625 0.876 1.180) 4.852 0.943 ( 4.036 1.380 -4.190) 5.980 1.036 ( -3.138 -0.525 0.103) 3.183 1.128 ( 1.258 -0.223 -0.145) 1.286 1.204 ( -1.383 1.418 5.131) 5.500 1.343 ( -1.054 2.754 0.743) 3.041 1.395 ( -1.514 1.294 -1.661) 2.593 1.448 ( -2.912 -1.063 3.509) 4.682 1.472 ( -2.008 -3.353 0.899) 4.010 1.546 ( -2.518 -0.728 -0.359) 2.646 1.601 ( -9.133 -0.297 -0.339) 9.144 1.669 ( 0.566 -0.079 -1.059) 1.204 1.730 ( -0.704 0.987 -4.787) 4.938 1.764 ( 5.035 -0.170 -2.550) 5.646 1.790 ( -5.198 0.749 2.180) 5.686 1.859 ( 3.927 -0.374 -0.478) 3.974 1.927 ( 0.896 -0.068 0.600) 1.081 1.961 ( -2.293 1.291 1.810) 3.194 2.011 ( -7.500 -1.613 1.121) 7.753 2.053 ( -4.815 0.104 -0.200) 4.820 2.068 ( -2.396 -0.743 0.648) 2.591 2.789 ( 2.173 0.053 -0.246) 2.187 2.805 ( 1.968 0.166 0.115) 1.978 3.024 ( -3.591 0.159 -0.221) 3.602 3.037 ( -3.997 -0.248 -0.108) 4.006 3.104 ( -1.772 -0.101 -0.519) 1.849 3.164 ( -2.290 0.038 0.840) 2.440 3.571 ( 10.486 -0.051 -0.200) 10.488 3.587 ( 10.943 -0.188 0.151) 10.946 4.223 ( -1.693 0.019 -0.133) 1.699 4.236 ( -1.802 -0.077 0.130) 1.809 4.290 ( -0.410 0.028 -0.125) 0.430 4.301 ( -0.332 -0.033 0.098) 0.347 4.657 ( -4.768 0.063 -0.139) 4.771 4.669 ( -5.353 0.004 0.122) 5.354 5.125 ( 1.329 0.088 -0.044) 1.332 5.127 ( 1.914 -0.008 -0.037) 1.915 7.239 ( -0.916 0.038 -0.153) 0.930 7.259 ( -0.801 0.142 0.287) 0.863 9.287 ( -1.238 -0.478 -0.242) 1.349 9.289 ( -1.219 -0.796 -0.230) 1.474 9.407 ( -0.808 0.963 0.578) 1.384 9.423 ( 0.647 -0.394 0.760) 1.073 9.480 ( -0.467 2.306 -0.597) 2.427 9.520 ( -1.593 -1.892 -0.557) 2.535 ======================= Grid point 283 (107/125) ======================= q-point: ( 0.89 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -1.851 -0.000 -1.330) 2.279 0.718 ( -3.030 -0.000 -3.610) 4.713 0.800 ( 0.165 0.000 4.157) 4.160 0.880 ( 0.380 -0.000 -4.501) 4.517 0.928 ( -2.978 0.000 0.265) 2.990 1.078 ( -1.178 -0.000 -0.467) 1.267 1.126 ( -1.142 0.000 1.112) 1.594 1.249 ( -0.283 0.000 6.023) 6.030 1.350 ( 2.570 0.000 0.187) 2.577 1.379 ( 6.668 -0.000 -0.551) 6.691 1.414 ( -1.542 -0.000 -3.633) 3.946 1.475 ( 0.932 0.000 5.433) 5.512 1.574 ( 1.552 -0.000 -1.619) 2.243 1.632 ( -0.697 -0.000 -3.359) 3.430 1.633 ( 5.282 -0.000 -0.608) 5.317 1.742 ( -2.906 -0.000 -0.201) 2.913 1.750 ( -2.192 -0.000 -2.084) 3.024 1.776 ( 2.455 -0.000 -1.367) 2.810 1.890 ( -3.180 0.000 1.323) 3.444 1.925 ( -0.296 0.000 0.013) 0.296 1.995 ( -0.936 0.000 0.391) 1.014 2.036 ( 1.774 0.000 1.819) 2.541 2.313 ( -19.502 -0.000 -0.095) 19.502 2.322 ( -20.339 -0.000 0.006) 20.339 2.749 ( 1.917 -0.000 -0.184) 1.926 2.768 ( 2.073 0.000 0.097) 2.075 3.075 ( -1.941 -0.000 -0.260) 1.958 3.093 ( -1.976 -0.000 -0.020) 1.976 3.139 ( -2.108 -0.000 -0.420) 2.150 3.204 ( -1.509 0.000 0.536) 1.601 3.339 ( 14.588 0.000 -0.192) 14.589 3.349 ( 14.614 0.000 0.014) 14.614 4.254 ( -1.579 -0.000 -0.130) 1.584 4.265 ( -1.102 -0.000 0.015) 1.102 4.301 ( -0.838 -0.000 -0.007) 0.838 4.304 ( 0.042 0.000 0.026) 0.049 4.752 ( -5.358 -0.000 -0.172) 5.360 4.771 ( -5.366 -0.000 0.098) 5.367 5.079 ( 3.040 -0.000 -0.211) 3.048 5.092 ( 2.222 0.000 -0.024) 2.222 7.255 ( -0.844 -0.000 -0.153) 0.858 7.271 ( -0.312 0.000 0.062) 0.318 9.308 ( -1.232 -0.000 -0.233) 1.254 9.309 ( -1.391 -0.000 -0.226) 1.409 9.402 ( 0.825 0.000 0.158) 0.840 9.441 ( -0.896 0.000 1.732) 1.950 9.483 ( 0.056 -0.000 -1.801) 1.802 9.545 ( -1.568 0.000 0.078) 1.570 ======================= Grid point 285 (108/125) ======================= q-point: ( 0.00 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -1.910 -0.000 -0.000) 1.910 0.701 ( -2.880 -0.000 -0.000) 2.880 0.835 ( 1.056 0.000 0.000) 1.056 0.843 ( -0.452 -0.000 -0.000) 0.452 0.929 ( -2.764 -0.000 -0.000) 2.764 1.075 ( -1.613 -0.000 -0.000) 1.613 1.131 ( -0.871 -0.000 -0.000) 0.871 1.281 ( -0.298 -0.000 -0.000) 0.298 1.352 ( 2.933 0.000 0.000) 2.933 1.376 ( 6.930 0.000 0.000) 6.930 1.391 ( -1.974 -0.000 -0.000) 1.974 1.507 ( -0.773 -0.000 -0.000) 0.773 1.562 ( 5.314 0.000 0.000) 5.314 1.615 ( -2.623 -0.000 -0.000) 2.623 1.629 ( 5.766 0.000 0.000) 5.766 1.741 ( -2.390 -0.000 -0.000) 2.390 1.743 ( -4.705 -0.000 -0.000) 4.705 1.768 ( 3.806 0.000 0.000) 3.806 1.896 ( -3.209 -0.000 -0.000) 3.209 1.925 ( -0.211 -0.000 -0.000) 0.211 1.996 ( -0.751 -0.000 -0.000) 0.751 2.044 ( 1.926 0.000 0.000) 1.926 2.313 ( -19.513 -0.000 -0.000) 19.513 2.322 ( -20.405 -0.000 -0.000) 20.405 2.748 ( 1.911 0.000 0.000) 1.911 2.768 ( 2.078 0.000 0.000) 2.078 3.074 ( -1.935 -0.000 -0.000) 1.935 3.093 ( -1.952 -0.000 -0.000) 1.952 3.137 ( -2.136 -0.000 -0.000) 2.136 3.206 ( -1.515 -0.000 -0.000) 1.515 3.338 ( 14.631 0.000 0.000) 14.631 3.349 ( 14.624 0.000 0.000) 14.624 4.253 ( -1.578 -0.000 -0.000) 1.578 4.265 ( -1.069 -0.000 -0.000) 1.069 4.301 ( -0.875 -0.000 -0.000) 0.875 4.304 ( 0.063 0.000 0.000) 0.063 4.751 ( -5.353 -0.000 -0.000) 5.353 4.771 ( -5.363 -0.000 -0.000) 5.363 5.078 ( 3.085 0.000 0.000) 3.085 5.092 ( 2.215 0.000 0.000) 2.215 7.255 ( -0.837 -0.000 -0.000) 0.837 7.271 ( -0.271 -0.000 -0.000) 0.271 9.307 ( -1.215 -0.000 -0.000) 1.215 9.308 ( -1.398 -0.000 -0.000) 1.398 9.403 ( 0.878 0.000 0.000) 0.878 9.452 ( -1.610 -0.000 -0.000) 1.610 9.472 ( 0.779 0.000 0.000) 0.779 9.545 ( -1.620 -0.000 -0.000) 1.620 ======================= Grid point 294 (109/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -0.000 6.047 4.604) 7.600 0.675 ( 0.000 8.504 1.913) 8.717 0.705 ( -0.000 0.105 -6.741) 6.741 0.750 ( 0.000 8.565 2.874) 9.035 0.813 ( 0.000 4.050 -0.713) 4.112 0.972 ( 0.000 1.975 -6.973) 7.247 1.056 ( 0.000 11.105 5.524) 12.404 1.099 ( 0.000 6.938 2.608) 7.412 1.149 ( 0.000 -0.726 0.904) 1.159 1.200 ( 0.000 0.747 -1.961) 2.098 1.411 ( -0.000 -4.750 3.334) 5.803 1.412 ( -0.000 -4.583 2.276) 5.117 1.473 ( -0.000 -0.844 -2.227) 2.381 1.569 ( 0.000 -1.623 -6.411) 6.613 1.640 ( 0.000 1.643 1.371) 2.140 1.671 ( 0.000 0.290 -0.609) 0.675 1.839 ( -0.000 -1.258 0.848) 1.517 1.850 ( 0.000 -1.858 -0.160) 1.865 1.943 ( -0.000 -1.137 1.027) 1.532 1.949 ( -0.000 0.062 0.088) 0.107 1.959 ( 0.000 -2.217 4.801) 5.288 2.020 ( -0.000 -2.098 2.632) 3.365 2.048 ( 0.000 -0.517 0.761) 0.920 2.114 ( 0.000 -3.238 -5.736) 6.587 2.835 ( 0.000 0.365 -0.091) 0.376 2.840 ( 0.000 0.333 -0.428) 0.542 2.922 ( 0.000 -0.570 0.155) 0.591 2.931 ( 0.000 -0.997 -0.445) 1.092 3.072 ( -0.000 0.847 1.018) 1.324 3.096 ( -0.000 -0.090 -0.554) 0.562 3.788 ( -0.000 0.429 0.439) 0.614 3.793 ( -0.000 0.007 0.178) 0.178 4.190 ( 0.000 -0.246 0.290) 0.380 4.196 ( 0.000 -0.494 -0.133) 0.511 4.282 ( -0.000 0.269 0.140) 0.304 4.288 ( -0.000 0.038 -0.287) 0.290 4.552 ( -0.000 0.066 0.008) 0.066 4.553 ( -0.000 0.025 -0.050) 0.056 5.147 ( -0.000 0.415 0.159) 0.444 5.148 ( -0.000 0.254 0.172) 0.307 7.227 ( -0.000 0.167 0.081) 0.186 7.228 ( -0.000 0.125 -0.007) 0.125 9.267 ( -0.000 -0.454 0.292) 0.539 9.277 ( -0.000 -1.068 -0.375) 1.132 9.379 ( 0.000 1.360 0.647) 1.506 9.403 ( 0.000 0.424 -1.054) 1.136 9.466 ( 0.000 0.874 1.032) 1.352 9.495 ( 0.000 0.074 -1.142) 1.145 ======================= Grid point 295 (110/125) ======================= q-point: ( 0.78 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -1.131 3.015 0.577) 3.272 0.673 ( 0.370 2.275 -3.992) 4.609 0.778 ( -2.350 3.398 2.203) 4.682 0.815 ( 0.005 1.568 5.391) 5.614 0.937 ( -3.439 6.147 -3.591) 7.906 0.963 ( -2.372 0.959 -3.844) 4.618 1.145 ( 0.851 2.178 0.269) 2.354 1.150 ( -1.901 6.321 2.126) 6.934 1.255 ( -9.812 -0.842 0.958) 9.894 1.290 ( -9.766 -1.190 -0.155) 9.840 1.376 ( -0.015 -3.633 2.680) 4.515 1.412 ( -1.329 2.819 2.161) 3.793 1.484 ( -2.052 -1.229 -0.156) 2.397 1.539 ( -0.633 -0.821 -3.927) 4.061 1.656 ( -0.920 0.661 -0.190) 1.148 1.711 ( -3.323 0.859 0.776) 3.519 1.758 ( 4.918 -0.388 -0.961) 5.026 1.849 ( 2.681 -1.033 -0.101) 2.875 1.914 ( 1.356 -0.747 0.284) 1.574 1.930 ( 1.488 -1.431 1.716) 2.685 1.969 ( -1.597 -1.932 2.141) 3.297 1.976 ( 2.394 -0.466 0.433) 2.477 2.040 ( 2.043 -2.117 -3.582) 4.635 2.073 ( -0.650 -0.357 1.274) 1.474 2.822 ( 1.477 0.243 -0.140) 1.504 2.832 ( 1.045 0.344 -0.056) 1.101 2.954 ( -3.366 -0.110 0.077) 3.368 2.963 ( -3.799 -0.742 -0.349) 3.886 3.080 ( -0.562 0.275 0.033) 0.627 3.123 ( -2.296 0.133 0.391) 2.333 3.725 ( 6.194 0.121 -0.032) 6.195 3.747 ( 5.809 -0.199 0.267) 5.819 4.197 ( -0.972 -0.104 0.014) 0.977 4.208 ( -1.391 -0.314 0.045) 1.427 4.284 ( -0.105 0.143 -0.048) 0.184 4.294 ( -0.470 0.029 0.002) 0.471 4.583 ( -2.975 0.114 0.014) 2.977 4.584 ( -3.390 0.047 -0.007) 3.390 5.141 ( 0.665 0.226 0.008) 0.703 5.150 ( 0.565 0.106 0.123) 0.588 7.226 ( -0.283 0.073 -0.031) 0.294 7.242 ( -0.863 0.244 0.190) 0.917 9.273 ( -0.799 -0.836 -0.114) 1.162 9.277 ( -0.920 -1.095 -0.012) 1.430 9.385 ( -0.422 0.741 -0.065) 0.855 9.431 ( -1.542 1.421 0.678) 2.204 9.455 ( 1.222 1.058 -0.166) 1.625 9.507 ( -1.076 -0.972 -0.577) 1.561 ======================= Grid point 296 (111/125) ======================= q-point: ( 0.89 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 2.786 0.747 0.052) 2.885 0.637 ( -2.283 -0.074 -2.225) 3.189 0.838 ( 0.518 0.318 3.322) 3.377 0.856 ( -4.156 0.897 0.670) 4.304 0.906 ( 4.355 1.700 -3.451) 5.810 1.033 ( -3.183 -0.346 -0.348) 3.221 1.128 ( 0.701 -0.565 0.097) 0.905 1.241 ( -2.084 3.029 2.560) 4.480 1.351 ( -1.313 1.429 1.086) 2.223 1.375 ( -0.360 0.742 -2.147) 2.300 1.465 ( -6.500 -2.933 0.609) 7.157 1.482 ( 2.745 -0.046 0.687) 2.830 1.553 ( -3.569 -1.208 1.473) 4.045 1.599 ( -10.952 -0.360 -0.153) 10.959 1.658 ( 3.554 0.425 -1.169) 3.765 1.697 ( -2.044 0.549 -2.070) 2.961 1.748 ( 6.201 -0.389 -0.871) 6.274 1.804 ( -5.537 0.821 0.851) 5.662 1.856 ( 4.552 -0.452 -0.215) 4.579 1.931 ( 1.406 0.036 0.213) 1.422 1.973 ( -2.154 1.756 0.736) 2.875 2.016 ( -9.102 -1.548 0.268) 9.236 2.050 ( -6.605 -0.650 -0.339) 6.646 2.074 ( 0.027 -0.502 0.500) 0.709 2.788 ( 2.187 0.049 -0.091) 2.190 2.806 ( 1.953 0.208 0.038) 1.964 3.022 ( -3.534 0.050 -0.089) 3.536 3.036 ( -4.074 -0.134 -0.041) 4.077 3.101 ( -1.661 -0.119 -0.174) 1.674 3.170 ( -2.279 0.066 0.302) 2.300 3.570 ( 10.502 -0.054 -0.073) 10.502 3.587 ( 11.016 -0.188 0.053) 11.018 4.222 ( -1.668 -0.000 -0.046) 1.669 4.237 ( -1.796 -0.065 0.045) 1.798 4.289 ( -0.421 0.013 -0.044) 0.423 4.302 ( -0.327 -0.018 0.033) 0.330 4.656 ( -4.713 0.066 -0.049) 4.714 4.669 ( -5.377 0.002 0.042) 5.377 5.124 ( 1.299 0.065 -0.018) 1.301 5.126 ( 2.026 -0.005 -0.015) 2.026 7.238 ( -0.883 0.041 -0.050) 0.885 7.260 ( -0.754 0.159 0.102) 0.778 9.286 ( -1.235 -0.488 -0.103) 1.332 9.288 ( -1.128 -0.769 -0.080) 1.368 9.411 ( -0.980 1.076 0.261) 1.479 9.429 ( 0.626 -0.517 0.319) 0.872 9.476 ( -0.107 2.163 -0.273) 2.183 9.516 ( -1.817 -1.717 -0.236) 2.510 ======================= Grid point 305 (112/125) ======================= q-point: ( 0.78 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.000 3.365 6.108) 6.973 0.630 ( -0.000 1.210 -7.287) 7.387 0.713 ( -0.000 9.878 3.672) 10.538 0.745 ( -0.000 11.038 -3.093) 11.463 0.843 ( -0.000 1.210 6.362) 6.476 0.906 ( 0.000 1.801 -7.506) 7.720 1.095 ( 0.000 9.568 3.126) 10.066 1.110 ( 0.000 7.929 -0.206) 7.932 1.162 ( 0.000 -0.071 1.889) 1.890 1.181 ( 0.000 0.405 -2.199) 2.236 1.430 ( -0.000 -3.816 1.647) 4.156 1.437 ( -0.000 -4.449 1.014) 4.563 1.467 ( -0.000 -0.576 2.372) 2.441 1.511 ( -0.000 -1.317 -6.206) 6.345 1.653 ( -0.000 1.298 1.379) 1.893 1.663 ( -0.000 0.816 -1.015) 1.302 1.845 ( 0.000 -1.544 0.498) 1.623 1.848 ( -0.000 -1.737 -0.245) 1.754 1.948 ( 0.000 -0.544 0.276) 0.610 1.949 ( -0.000 -0.111 -0.021) 0.113 2.006 ( -0.000 -2.703 5.820) 6.417 2.040 ( -0.000 -2.654 1.687) 3.145 2.050 ( -0.000 -1.240 -0.363) 1.292 2.061 ( 0.000 -2.165 -6.111) 6.483 2.835 ( 0.000 0.400 0.051) 0.404 2.837 ( 0.000 0.398 -0.252) 0.471 2.924 ( 0.000 -0.663 0.290) 0.723 2.927 ( 0.000 -0.811 -0.401) 0.905 3.081 ( -0.000 0.639 1.010) 1.195 3.089 ( 0.000 0.311 -0.825) 0.882 3.792 ( -0.000 0.302 0.333) 0.449 3.794 ( -0.000 0.146 -0.098) 0.176 4.192 ( -0.000 -0.352 0.261) 0.438 4.194 ( -0.000 -0.434 -0.200) 0.478 4.284 ( -0.000 0.222 0.199) 0.298 4.286 ( -0.000 0.146 -0.256) 0.294 4.553 ( -0.000 0.056 0.025) 0.061 4.553 ( -0.000 0.042 -0.041) 0.059 5.148 ( -0.000 0.358 0.098) 0.371 5.149 ( -0.000 0.295 0.027) 0.296 7.227 ( 0.000 0.230 0.063) 0.238 7.228 ( 0.000 0.215 -0.034) 0.218 9.270 ( 0.000 -0.597 0.341) 0.688 9.273 ( 0.000 -0.804 -0.376) 0.888 9.386 ( 0.000 1.076 0.839) 1.364 9.394 ( 0.000 0.762 -0.978) 1.240 9.475 ( -0.000 0.641 1.098) 1.271 9.485 ( 0.000 0.386 -1.151) 1.214 ======================= Grid point 306 (113/125) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.547 1.095 0.000) 1.225 0.653 ( -0.206 3.555 0.000) 3.561 0.789 ( -1.906 3.938 0.000) 4.375 0.850 ( 0.869 0.174 0.000) 0.886 0.910 ( -1.307 7.327 0.000) 7.443 0.945 ( -6.068 0.829 0.000) 6.124 1.146 ( 1.042 1.620 0.000) 1.926 1.160 ( -1.878 7.160 0.000) 7.402 1.259 ( -9.530 -1.520 -0.000) 9.651 1.289 ( -9.850 -0.973 0.000) 9.898 1.392 ( 0.881 -3.908 -0.000) 4.006 1.418 ( -1.809 3.542 0.000) 3.977 1.494 ( -1.189 -0.684 -0.000) 1.372 1.511 ( -2.416 -0.720 -0.000) 2.521 1.655 ( -0.726 0.647 0.000) 0.972 1.715 ( -3.498 0.987 0.000) 3.635 1.754 ( 5.479 -0.583 -0.000) 5.509 1.849 ( 2.940 -1.022 -0.000) 3.112 1.915 ( 1.315 -0.611 -0.000) 1.450 1.941 ( 2.067 -2.439 -0.000) 3.197 1.965 ( 0.413 -0.210 -0.000) 0.463 2.004 ( -0.213 -3.171 -0.000) 3.178 2.009 ( 2.267 -0.196 -0.000) 2.275 2.079 ( -0.897 -0.683 -0.000) 1.127 2.822 ( 1.485 0.245 0.000) 1.505 2.832 ( 1.013 0.392 0.000) 1.086 2.954 ( -3.336 -0.156 0.000) 3.340 2.961 ( -3.803 -0.661 -0.000) 3.860 3.080 ( -0.443 0.232 0.000) 0.500 3.125 ( -2.379 0.224 0.000) 2.390 3.725 ( 6.250 0.126 -0.000) 6.251 3.749 ( 5.836 -0.201 -0.000) 5.839 4.197 ( -0.946 -0.130 -0.000) 0.954 4.208 ( -1.406 -0.297 -0.000) 1.437 4.284 ( -0.087 0.131 0.000) 0.158 4.294 ( -0.495 0.053 0.000) 0.497 4.583 ( -2.924 0.110 0.000) 2.927 4.584 ( -3.447 0.054 0.000) 3.448 5.141 ( 0.687 0.222 0.000) 0.722 5.150 ( 0.582 0.098 0.000) 0.591 7.226 ( -0.259 0.091 0.000) 0.275 7.243 ( -0.877 0.275 0.000) 0.919 9.272 ( -0.730 -0.819 -0.000) 1.097 9.277 ( -0.929 -1.091 -0.000) 1.433 9.385 ( -0.465 0.746 0.000) 0.879 9.435 ( -2.066 1.813 0.000) 2.748 9.455 ( 1.677 0.582 0.000) 1.775 9.504 ( -1.021 -0.828 -0.000) 1.315 ======================= Grid point 334 (114/125) ======================= q-point: ( 0.44 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -1.441 -0.000 3.363) 3.659 0.696 ( -1.401 -0.000 -3.503) 3.773 0.890 ( -3.011 -0.000 5.913) 6.635 0.925 ( -3.881 0.000 -1.724) 4.247 0.994 ( -1.880 -0.000 4.051) 4.466 1.033 ( -2.976 -0.000 -4.576) 5.459 1.076 ( 2.905 0.000 -0.175) 2.910 1.089 ( 1.747 -0.000 -3.273) 3.710 1.354 ( 1.693 -0.000 0.585) 1.791 1.363 ( 1.751 -0.000 -1.423) 2.256 1.422 ( 2.103 -0.000 1.934) 2.857 1.438 ( 0.926 -0.000 -1.525) 1.784 1.613 ( 0.484 -0.000 1.326) 1.412 1.624 ( 1.066 -0.000 -1.164) 1.578 1.727 ( -0.018 -0.000 3.537) 3.537 1.756 ( 0.554 -0.000 -2.735) 2.791 1.826 ( -0.109 -0.000 1.347) 1.351 1.828 ( 0.357 0.000 1.184) 1.237 1.878 ( -1.107 -0.000 3.909) 4.062 1.919 ( -0.112 -0.000 -3.805) 3.806 1.950 ( -1.376 0.000 -0.093) 1.380 1.961 ( -1.917 -0.000 -1.829) 2.649 2.318 ( -19.632 -0.000 0.204) 19.633 2.320 ( -19.791 -0.000 -0.182) 19.792 2.758 ( 1.984 -0.000 0.403) 2.025 2.761 ( 2.011 -0.000 -0.354) 2.042 3.087 ( -2.023 -0.000 0.466) 2.076 3.091 ( -2.053 -0.000 -0.327) 2.079 3.164 ( -1.827 -0.000 1.299) 2.242 3.176 ( -1.700 -0.000 -1.336) 2.162 3.346 ( 14.442 -0.000 0.217) 14.443 3.347 ( 14.481 -0.000 -0.137) 14.482 4.260 ( -1.519 -0.000 0.277) 1.544 4.263 ( -1.433 -0.000 -0.218) 1.450 4.302 ( -0.411 0.000 0.080) 0.419 4.303 ( -0.252 -0.000 -0.088) 0.267 4.761 ( -5.388 -0.000 0.403) 5.403 4.764 ( -5.387 -0.000 -0.364) 5.400 5.088 ( 2.565 -0.000 0.335) 2.587 5.091 ( 2.412 -0.000 -0.210) 2.421 7.263 ( -0.802 -0.000 0.336) 0.870 7.266 ( -0.703 -0.000 -0.288) 0.760 9.317 ( -1.360 0.000 0.193) 1.374 9.317 ( -1.366 -0.000 0.098) 1.370 9.399 ( 0.216 -0.000 0.246) 0.327 9.404 ( -0.049 0.000 -0.758) 0.760 9.526 ( -0.785 -0.000 1.177) 1.415 9.535 ( -1.008 0.000 -0.799) 1.286 ======================= Grid point 344 (115/125) ======================= q-point: ( 0.44 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 1.884 1.754 0.000) 2.574 0.695 ( 0.701 0.331 0.000) 0.775 0.783 ( -4.667 6.670 0.000) 8.140 0.870 ( -3.964 -4.423 -0.000) 5.939 0.974 ( -0.096 1.628 0.000) 1.631 1.001 ( -0.341 -1.820 -0.000) 1.852 1.123 ( 2.789 1.167 0.000) 3.023 1.140 ( 2.504 -0.786 -0.000) 2.624 1.335 ( -1.611 2.447 0.000) 2.930 1.343 ( -1.892 2.229 0.000) 2.923 1.419 ( -2.941 -0.516 -0.000) 2.986 1.468 ( -5.952 -5.662 -0.000) 8.215 1.581 ( -2.639 1.384 0.000) 2.979 1.603 ( -4.130 -1.052 -0.000) 4.262 1.710 ( -4.185 0.314 0.000) 4.197 1.713 ( -1.639 -0.235 -0.000) 1.656 1.833 ( -1.845 2.181 0.000) 2.857 1.849 ( 1.083 -0.148 -0.000) 1.093 1.885 ( -0.081 1.133 0.000) 1.136 1.894 ( -1.170 -0.700 -0.000) 1.363 1.914 ( 0.903 0.109 -0.000) 0.910 1.944 ( -0.626 -2.207 -0.000) 2.294 2.055 ( -6.544 0.487 0.000) 6.562 2.067 ( -4.432 -0.665 -0.000) 4.482 2.797 ( 2.053 0.275 0.000) 2.072 2.801 ( 2.085 -0.183 -0.000) 2.093 3.028 ( -3.861 0.637 0.000) 3.913 3.040 ( -3.658 -0.755 -0.000) 3.735 3.127 ( -2.466 0.389 0.000) 2.496 3.134 ( -2.015 -0.472 -0.000) 2.069 3.578 ( 10.589 0.068 -0.000) 10.590 3.581 ( 10.540 -0.300 -0.000) 10.544 4.228 ( -1.833 0.259 0.000) 1.851 4.232 ( -1.768 -0.292 -0.000) 1.792 4.294 ( -0.362 0.229 0.000) 0.428 4.298 ( -0.361 -0.237 -0.000) 0.432 4.663 ( -5.060 0.073 0.000) 5.061 4.663 ( -5.167 -0.009 0.000) 5.167 5.126 ( 1.487 0.188 -0.000) 1.499 5.127 ( 1.472 -0.041 -0.000) 1.472 7.247 ( -1.004 0.085 0.000) 1.007 7.247 ( -0.987 0.027 0.000) 0.988 9.292 ( -1.338 -0.468 -0.000) 1.418 9.295 ( -1.512 -0.877 -0.000) 1.748 9.398 ( 0.265 0.795 0.000) 0.838 9.406 ( 0.002 -0.203 -0.000) 0.203 9.491 ( -1.127 2.711 0.000) 2.935 9.531 ( -1.090 -2.387 -0.000) 2.624 ======================= Grid point 354 (116/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.000 9.446 0.000) 9.446 0.708 ( -0.000 0.924 0.000) 0.924 0.728 ( -0.000 1.526 0.000) 1.526 0.770 ( 0.000 -6.849 -0.000) 6.849 1.040 ( -0.000 6.326 0.000) 6.326 1.044 ( -0.000 8.352 0.000) 8.352 1.084 ( -0.000 0.894 0.000) 0.894 1.102 ( -0.000 2.285 0.000) 2.285 1.199 ( -0.000 4.160 0.000) 4.160 1.242 ( 0.000 -5.701 -0.000) 5.701 1.245 ( 0.000 -0.768 -0.000) 0.768 1.264 ( 0.000 -6.558 -0.000) 6.558 1.540 ( -0.000 2.792 0.000) 2.792 1.611 ( 0.000 -5.554 -0.000) 5.554 1.640 ( -0.000 1.706 0.000) 1.706 1.662 ( 0.000 -1.134 -0.000) 1.134 1.827 ( -0.000 1.079 0.000) 1.079 1.845 ( 0.000 -1.194 -0.000) 1.194 1.847 ( 0.000 -1.330 -0.000) 1.330 1.848 ( 0.000 -1.561 -0.000) 1.561 1.960 ( -0.000 0.719 0.000) 0.719 1.972 ( 0.000 -0.780 -0.000) 0.780 2.068 ( -0.000 3.502 0.000) 3.502 2.130 ( 0.000 -4.504 -0.000) 4.504 2.843 ( -0.000 0.350 0.000) 0.350 2.848 ( 0.000 -0.193 -0.000) 0.193 2.916 ( -0.000 0.007 0.000) 0.007 2.922 ( 0.000 -0.723 -0.000) 0.723 3.071 ( -0.000 1.029 0.000) 1.029 3.087 ( 0.000 -1.009 -0.000) 1.009 3.786 ( -0.000 0.149 0.000) 0.149 3.786 ( -0.000 0.013 0.000) 0.013 4.186 ( -0.000 0.163 0.000) 0.163 4.190 ( 0.000 -0.375 -0.000) 0.375 4.285 ( -0.000 0.294 0.000) 0.294 4.290 ( 0.000 -0.269 -0.000) 0.269 4.553 ( -0.000 0.048 0.000) 0.048 4.554 ( 0.000 -0.023 -0.000) 0.023 5.147 ( -0.000 0.215 0.000) 0.215 5.149 ( -0.000 0.077 0.000) 0.077 7.225 ( -0.000 0.017 0.000) 0.017 7.226 ( 0.000 -0.108 -0.000) 0.108 9.258 ( 0.000 -0.156 -0.000) 0.156 9.263 ( 0.000 -0.846 -0.000) 0.846 9.395 ( -0.000 1.343 0.000) 1.343 9.412 ( 0.000 -0.837 -0.000) 0.837 9.476 ( -0.000 1.813 0.000) 1.813 9.500 ( 0.000 -1.263 -0.000) 1.263 ======================= Grid point 355 (117/125) ======================= q-point: ( 0.56 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -1.330 -0.000 -2.089) 2.477 0.711 ( -1.147 0.000 2.590) 2.833 0.764 ( -2.481 -0.000 -1.485) 2.892 0.766 ( -2.281 -0.000 -0.525) 2.341 1.012 ( 3.096 -0.000 -2.214) 3.806 1.045 ( 4.243 0.000 5.230) 6.735 1.161 ( 0.841 -0.000 -4.720) 4.794 1.189 ( 2.760 0.000 0.897) 2.902 1.228 ( -11.362 -0.000 0.182) 11.363 1.231 ( -12.359 0.000 1.037) 12.402 1.302 ( -3.871 0.000 1.221) 4.059 1.302 ( -4.289 0.000 1.717) 4.620 1.560 ( 0.010 -0.000 -1.149) 1.149 1.563 ( 0.288 -0.000 -0.287) 0.406 1.670 ( -1.524 -0.000 -0.556) 1.623 1.677 ( -2.016 0.000 1.147) 2.320 1.816 ( 0.043 -0.000 -2.832) 2.832 1.841 ( -0.091 0.000 2.390) 2.392 1.859 ( -1.581 -0.000 -0.222) 1.597 1.870 ( -1.554 0.000 1.553) 2.197 1.942 ( 1.871 -0.000 -1.768) 2.574 1.959 ( 1.257 0.000 2.047) 2.402 2.063 ( 2.672 -0.000 -0.393) 2.701 2.065 ( 2.667 -0.000 -0.225) 2.676 2.831 ( 1.412 -0.000 -0.233) 1.431 2.832 ( 1.314 0.000 0.178) 1.326 2.959 ( -3.757 -0.000 -0.085) 3.758 2.959 ( -3.831 -0.000 -0.031) 3.831 3.091 ( -1.369 -0.000 -0.717) 1.545 3.098 ( -1.718 0.000 0.989) 1.983 3.730 ( 5.838 -0.000 -0.337) 5.848 3.734 ( 5.777 0.000 0.465) 5.795 4.199 ( -1.219 -0.000 -0.166) 1.230 4.201 ( -1.295 0.000 0.189) 1.309 4.289 ( -0.226 -0.000 -0.188) 0.294 4.291 ( -0.295 0.000 0.174) 0.342 4.584 ( -3.181 -0.000 0.004) 3.181 4.584 ( -3.170 -0.000 0.002) 3.170 5.144 ( 0.514 -0.000 -0.145) 0.534 5.145 ( 0.499 0.000 0.203) 0.539 7.230 ( -0.599 -0.000 -0.299) 0.669 7.233 ( -0.717 0.000 0.427) 0.835 9.268 ( -0.976 0.000 -0.016) 0.976 9.268 ( -0.975 0.000 -0.016) 0.975 9.401 ( 0.003 -0.000 -0.771) 0.771 9.409 ( -0.029 0.000 1.038) 1.038 9.493 ( -0.702 -0.000 -0.536) 0.883 9.496 ( -0.570 0.000 0.240) 0.618 ======================= Grid point 365 (118/125) ======================= q-point: ( 0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.000 8.964 -0.253) 8.968 0.716 ( 0.000 0.574 1.720) 1.813 0.733 ( 0.000 1.267 1.391) 1.881 0.753 ( -0.000 -5.516 -3.375) 6.467 1.005 ( 0.000 8.111 -3.880) 8.992 1.084 ( 0.000 0.011 -0.837) 0.837 1.085 ( 0.000 5.873 4.981) 7.701 1.104 ( 0.000 1.581 0.618) 1.697 1.180 ( 0.000 3.857 -2.104) 4.393 1.232 ( 0.000 -2.124 -1.803) 2.786 1.271 ( -0.000 -4.051 4.749) 6.243 1.281 ( 0.000 -4.501 2.808) 5.305 1.531 ( 0.000 2.879 -1.812) 3.402 1.600 ( -0.000 -5.058 -2.318) 5.564 1.644 ( 0.000 1.479 0.694) 1.634 1.664 ( 0.000 -1.028 0.348) 1.085 1.826 ( -0.000 0.435 -0.120) 0.452 1.834 ( -0.000 -1.004 -0.809) 1.290 1.860 ( 0.000 -1.038 2.358) 2.576 1.868 ( -0.000 -1.613 3.005) 3.411 1.961 ( 0.000 0.767 0.091) 0.772 1.973 ( -0.000 -0.861 0.323) 0.920 2.066 ( 0.000 3.137 -0.434) 3.167 2.123 ( 0.000 -4.211 -1.565) 4.492 2.843 ( 0.000 0.343 -0.077) 0.352 2.847 ( 0.000 -0.155 -0.151) 0.217 2.916 ( 0.000 -0.001 -0.008) 0.008 2.922 ( 0.000 -0.689 -0.080) 0.694 3.073 ( -0.000 0.993 0.393) 1.068 3.088 ( -0.000 -0.933 0.197) 0.953 3.787 ( 0.000 0.151 0.211) 0.259 3.788 ( 0.000 -0.002 0.239) 0.239 4.186 ( -0.000 0.143 0.063) 0.156 4.190 ( -0.000 -0.361 0.006) 0.361 4.285 ( 0.000 0.280 0.013) 0.281 4.289 ( 0.000 -0.245 -0.051) 0.250 4.553 ( -0.000 0.047 -0.007) 0.047 4.554 ( -0.000 -0.020 -0.014) 0.025 5.148 ( 0.000 0.197 0.123) 0.232 5.149 ( 0.000 0.082 0.084) 0.117 7.225 ( 0.000 0.029 0.132) 0.135 7.226 ( 0.000 -0.088 0.118) 0.147 9.258 ( 0.000 -0.171 0.074) 0.186 9.263 ( 0.000 -0.815 0.003) 0.815 9.395 ( -0.000 1.298 0.050) 1.299 9.411 ( 0.000 -0.737 -0.174) 0.758 9.477 ( -0.000 1.698 0.130) 1.703 9.499 ( 0.000 -1.162 -0.216) 1.182 ======================= Grid point 366 (119/125) ======================= q-point: ( 0.67 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -1.268 -0.000 -3.382) 3.612 0.739 ( 1.146 0.000 3.122) 3.326 0.741 ( -3.891 -0.000 -2.767) 4.775 0.767 ( -1.615 0.000 1.080) 1.943 1.000 ( 1.216 -0.000 -0.913) 1.521 1.091 ( 6.683 0.000 1.343) 6.816 1.124 ( -2.767 -0.000 -0.065) 2.768 1.183 ( 2.116 -0.000 -1.506) 2.597 1.230 ( -10.875 0.000 0.271) 10.879 1.239 ( -11.795 0.000 0.631) 11.812 1.317 ( -3.073 0.000 1.857) 3.591 1.336 ( -3.677 0.000 5.507) 6.622 1.542 ( -0.427 -0.000 -2.899) 2.930 1.557 ( 0.181 -0.000 -0.965) 0.982 1.666 ( -1.218 -0.000 -0.368) 1.272 1.691 ( -2.605 0.000 1.731) 3.128 1.792 ( 1.145 -0.000 -2.429) 2.685 1.845 ( 0.485 -0.000 -0.462) 0.670 1.880 ( -1.123 0.000 3.614) 3.784 1.884 ( -1.280 0.000 1.662) 2.098 1.928 ( 2.111 -0.000 -1.188) 2.423 1.975 ( 0.903 0.000 1.300) 1.583 2.058 ( 2.374 -0.000 -1.154) 2.640 2.060 ( 2.024 -0.000 -0.147) 2.029 2.828 ( 1.484 -0.000 -0.261) 1.507 2.834 ( 1.206 0.000 0.123) 1.212 2.957 ( -3.661 -0.000 -0.189) 3.666 2.958 ( -3.867 -0.000 -0.102) 3.869 3.086 ( -0.989 -0.000 -0.408) 1.070 3.108 ( -1.995 0.000 1.096) 2.276 3.728 ( 5.973 -0.000 -0.192) 5.976 3.738 ( 5.793 0.000 0.514) 5.816 4.198 ( -1.138 -0.000 -0.125) 1.145 4.202 ( -1.358 0.000 0.185) 1.371 4.288 ( -0.162 -0.000 -0.175) 0.239 4.292 ( -0.361 0.000 0.141) 0.388 4.584 ( -3.062 -0.000 -0.002) 3.062 4.584 ( -3.302 -0.000 0.016) 3.302 5.143 ( 0.565 -0.000 -0.077) 0.571 5.147 ( 0.521 0.000 0.223) 0.567 7.228 ( -0.469 -0.000 -0.154) 0.494 7.237 ( -0.809 0.000 0.479) 0.940 9.267 ( -0.919 -0.000 -0.074) 0.922 9.268 ( -0.903 -0.000 -0.020) 0.903 9.396 ( -0.108 -0.000 -0.464) 0.476 9.419 ( -0.211 0.000 1.223) 1.241 9.487 ( -0.719 -0.000 -0.835) 1.102 9.497 ( -0.363 0.000 0.013) 0.363 ======================= Grid point 376 (120/125) ======================= q-point: ( 0.67 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.000 7.213 -0.799) 7.257 0.709 ( -0.000 -5.663 -4.649) 7.327 0.745 ( -0.000 3.048 3.204) 4.422 0.757 ( -0.000 0.979 3.966) 4.085 0.970 ( -0.000 8.428 -4.126) 9.384 1.057 ( 0.000 -0.346 -5.031) 5.043 1.112 ( -0.000 -0.139 1.068) 1.077 1.125 ( -0.000 2.837 3.596) 4.580 1.178 ( -0.000 4.998 1.520) 5.224 1.220 ( -0.000 -0.868 -0.889) 1.243 1.311 ( -0.000 -3.061 4.126) 5.137 1.316 ( -0.000 -3.263 5.102) 6.056 1.510 ( 0.000 2.893 -2.719) 3.970 1.572 ( -0.000 -4.210 -3.808) 5.676 1.651 ( -0.000 1.291 0.961) 1.609 1.668 ( -0.000 -0.739 0.432) 0.856 1.827 ( 0.000 -0.024 0.280) 0.281 1.830 ( 0.000 -0.788 -0.132) 0.799 1.885 ( 0.000 -0.944 3.245) 3.379 1.897 ( -0.000 -1.830 3.133) 3.628 1.961 ( 0.000 0.879 0.032) 0.879 1.977 ( 0.000 -1.234 0.611) 1.376 2.061 ( 0.000 2.173 -0.648) 2.267 2.103 ( 0.000 -3.318 -2.746) 4.307 2.842 ( -0.000 0.323 -0.113) 0.342 2.845 ( -0.000 -0.060 -0.236) 0.244 2.916 ( -0.000 -0.032 0.003) 0.032 2.921 ( -0.000 -0.596 -0.134) 0.611 3.078 ( 0.000 0.878 0.645) 1.089 3.090 ( -0.000 -0.714 0.260) 0.760 3.789 ( -0.000 0.148 0.332) 0.364 3.790 ( -0.000 -0.028 0.347) 0.348 4.187 ( 0.000 0.088 0.106) 0.137 4.190 ( 0.000 -0.320 0.001) 0.320 4.286 ( -0.000 0.242 0.028) 0.243 4.289 ( -0.000 -0.178 -0.086) 0.197 4.553 ( -0.000 0.043 -0.010) 0.044 4.554 ( -0.000 -0.012 -0.023) 0.026 5.149 ( -0.000 0.155 0.181) 0.238 5.150 ( -0.000 0.092 0.130) 0.159 7.227 ( -0.000 0.058 0.205) 0.213 7.227 ( -0.000 -0.035 0.179) 0.183 9.259 ( -0.000 -0.216 0.116) 0.245 9.263 ( -0.000 -0.733 -0.012) 0.733 9.396 ( 0.000 1.161 0.118) 1.167 9.409 ( 0.000 -0.471 -0.298) 0.558 9.478 ( -0.000 1.388 0.250) 1.410 9.496 ( -0.000 -0.885 -0.372) 0.960 ======================= Grid point 377 (121/125) ======================= q-point: ( 0.78 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.950 -0.000 -3.838) 3.954 0.710 ( -1.571 -0.000 -3.250) 3.610 0.776 ( 0.158 0.000 4.441) 4.443 0.788 ( -1.056 0.000 3.436) 3.594 0.988 ( -1.186 -0.000 -1.989) 2.316 1.052 ( 1.905 -0.000 -5.864) 6.165 1.171 ( 2.511 -0.000 -1.070) 2.729 1.173 ( 1.100 0.000 6.635) 6.725 1.232 ( -10.668 -0.000 0.234) 10.670 1.243 ( -11.712 -0.000 0.221) 11.714 1.334 ( -2.338 0.000 1.945) 3.041 1.392 ( -3.338 0.000 6.594) 7.391 1.511 ( -0.781 -0.000 -3.995) 4.070 1.547 ( -0.424 -0.000 -1.530) 1.588 1.663 ( -1.024 -0.000 -0.302) 1.067 1.706 ( -3.167 0.000 1.671) 3.581 1.773 ( 2.765 -0.000 -1.965) 3.392 1.842 ( 1.598 -0.000 -0.214) 1.613 1.899 ( -0.846 0.000 1.538) 1.755 1.913 ( 0.567 0.000 3.112) 3.163 1.921 ( 0.650 0.000 0.156) 0.668 1.979 ( 1.287 -0.000 -0.411) 1.351 2.044 ( 2.040 -0.000 -2.050) 2.892 2.063 ( 0.641 0.000 0.825) 1.045 2.826 ( 1.528 -0.000 -0.235) 1.546 2.835 ( 1.105 0.000 0.075) 1.108 2.955 ( -3.564 -0.000 -0.217) 3.571 2.957 ( -3.871 -0.000 -0.107) 3.872 3.083 ( -0.642 -0.000 -0.171) 0.664 3.117 ( -2.184 0.000 0.952) 2.382 3.727 ( 6.138 0.000 -0.082) 6.139 3.742 ( 5.856 0.000 0.443) 5.873 4.197 ( -1.067 -0.000 -0.080) 1.070 4.204 ( -1.403 0.000 0.148) 1.411 4.286 ( -0.112 -0.000 -0.136) 0.176 4.293 ( -0.415 0.000 0.098) 0.427 4.584 ( -3.009 -0.000 0.001) 3.009 4.585 ( -3.376 -0.000 0.014) 3.376 5.142 ( 0.632 -0.000 -0.026) 0.633 5.149 ( 0.565 0.000 0.190) 0.596 7.227 ( -0.350 -0.000 -0.046) 0.354 7.241 ( -0.870 0.000 0.417) 0.965 9.267 ( -0.810 -0.000 -0.114) 0.818 9.268 ( -0.817 -0.000 -0.011) 0.817 9.393 ( -0.312 -0.000 -0.198) 0.369 9.431 ( -0.542 0.000 1.324) 1.430 9.478 ( -0.569 -0.000 -1.076) 1.217 9.497 ( -0.131 -0.000 -0.100) 0.165 ======================= Grid point 388 (122/125) ======================= q-point: ( 0.78 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.000 4.646 -0.216) 4.651 0.666 ( 0.000 -3.321 -4.651) 5.715 0.781 ( 0.000 3.654 4.691) 5.946 0.802 ( 0.000 0.519 5.820) 5.843 0.931 ( 0.000 8.255 -4.537) 9.420 1.003 ( 0.000 0.320 -6.845) 6.852 1.122 ( 0.000 -0.972 1.227) 1.565 1.144 ( 0.000 -0.909 0.721) 1.160 1.196 ( -0.000 4.293 2.040) 4.753 1.217 ( 0.000 1.565 0.130) 1.570 1.354 ( 0.000 -1.572 5.447) 5.669 1.360 ( 0.000 -1.914 4.717) 5.091 1.485 ( 0.000 2.372 -2.813) 3.680 1.534 ( 0.000 -3.093 -4.817) 5.724 1.660 ( 0.000 1.007 0.949) 1.384 1.671 ( 0.000 -0.329 0.237) 0.405 1.830 ( 0.000 -0.202 0.336) 0.392 1.830 ( -0.000 -0.558 0.143) 0.576 1.915 ( 0.000 -1.445 3.368) 3.665 1.921 ( 0.000 -1.522 2.295) 2.754 1.961 ( 0.000 0.811 -0.098) 0.817 1.983 ( 0.000 -2.152 0.364) 2.183 2.055 ( -0.000 1.071 -0.576) 1.216 2.077 ( -0.000 -1.790 -2.951) 3.452 2.841 ( 0.000 0.290 -0.082) 0.301 2.843 ( 0.000 0.057 -0.224) 0.231 2.917 ( -0.000 -0.094 0.038) 0.102 2.919 ( -0.000 -0.466 -0.150) 0.489 3.084 ( -0.000 0.667 0.670) 0.945 3.092 ( -0.000 -0.387 0.126) 0.407 3.792 ( 0.000 0.123 0.312) 0.336 3.793 ( 0.000 -0.029 0.275) 0.276 4.188 ( 0.000 0.008 0.116) 0.116 4.190 ( 0.000 -0.256 -0.022) 0.257 4.286 ( -0.000 0.181 0.048) 0.187 4.288 ( -0.000 -0.086 -0.097) 0.130 4.553 ( -0.000 0.035 -0.005) 0.036 4.554 ( -0.000 -0.000 -0.024) 0.024 5.151 ( -0.000 0.117 0.152) 0.192 5.151 ( -0.000 0.098 0.117) 0.152 7.229 ( 0.000 0.087 0.186) 0.205 7.229 ( -0.000 0.028 0.153) 0.155 9.260 ( 0.000 -0.288 0.120) 0.312 9.262 ( 0.000 -0.618 -0.042) 0.619 9.398 ( 0.000 0.935 0.200) 0.956 9.406 ( 0.000 -0.112 -0.349) 0.366 9.481 ( 0.000 0.958 0.349) 1.020 9.492 ( 0.000 -0.484 -0.446) 0.658 ======================= Grid point 389 (123/125) ======================= q-point: ( 0.89 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.616 -0.000 -2.406) 2.484 0.686 ( -1.422 -0.000 -1.857) 2.339 0.814 ( 1.831 0.000 3.725) 4.151 0.822 ( -0.666 0.000 3.797) 3.855 0.966 ( -3.764 -0.000 -2.587) 4.568 1.003 ( 0.985 -0.000 -4.876) 4.974 1.165 ( 2.976 -0.000 -0.333) 2.994 1.223 ( 0.775 0.000 4.147) 4.219 1.234 ( -10.318 -0.000 0.201) 10.320 1.244 ( -11.623 -0.000 0.090) 11.623 1.352 ( -1.240 0.000 2.058) 2.402 1.448 ( -3.145 0.000 5.875) 6.664 1.475 ( -1.160 -0.000 -3.712) 3.889 1.529 ( -1.443 -0.000 -2.568) 2.946 1.661 ( -0.840 -0.000 -0.174) 0.858 1.719 ( -3.565 0.000 0.995) 3.702 1.758 ( 4.398 -0.000 -1.206) 4.561 1.841 ( 2.558 0.000 -0.054) 2.559 1.911 ( -0.505 0.000 1.162) 1.267 1.915 ( 2.372 -0.000 -0.249) 2.385 1.949 ( -1.391 0.000 3.489) 3.756 1.971 ( 1.591 -0.000 -1.078) 1.922 2.023 ( 1.998 -0.000 -2.527) 3.222 2.072 ( -0.402 0.000 0.870) 0.958 2.824 ( 1.549 -0.000 -0.141) 1.555 2.835 ( 1.034 0.000 0.035) 1.034 2.954 ( -3.492 -0.000 -0.143) 3.495 2.956 ( -3.859 -0.000 -0.065) 3.860 3.082 ( -0.398 -0.000 -0.045) 0.400 3.124 ( -2.290 0.000 0.554) 2.356 3.726 ( 6.274 0.000 -0.023) 6.274 3.746 ( 5.920 0.000 0.257) 5.925 4.196 ( -1.018 -0.000 -0.038) 1.018 4.205 ( -1.429 0.000 0.082) 1.431 4.285 ( -0.079 -0.000 -0.074) 0.108 4.294 ( -0.451 0.000 0.050) 0.454 4.584 ( -2.977 -0.000 0.001) 2.977 4.585 ( -3.425 -0.000 0.009) 3.425 5.142 ( 0.688 0.000 -0.003) 0.688 5.151 ( 0.607 0.000 0.108) 0.617 7.227 ( -0.267 -0.000 -0.001) 0.267 7.244 ( -0.903 0.000 0.243) 0.935 9.266 ( -0.710 -0.000 -0.087) 0.715 9.267 ( -0.748 -0.000 -0.004) 0.748 9.392 ( -0.505 -0.000 -0.047) 0.507 9.443 ( -1.154 0.000 1.317) 1.751 9.468 ( -0.082 -0.000 -1.201) 1.203 9.496 ( 0.056 -0.000 -0.090) 0.106 ======================= Grid point 391 (124/125) ======================= q-point: ( 0.00 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -0.481 -0.000 -0.000) 0.481 0.678 ( -1.380 -0.000 -0.000) 1.380 0.833 ( 3.270 0.000 0.000) 3.270 0.842 ( -0.498 -0.000 -0.000) 0.498 0.952 ( -5.485 -0.000 -0.000) 5.485 0.977 ( 0.727 0.000 0.000) 0.727 1.163 ( 3.123 0.000 0.000) 3.123 1.234 ( -10.221 -0.000 -0.000) 10.221 1.242 ( 0.339 0.000 0.000) 0.339 1.244 ( -11.576 -0.000 -0.000) 11.576 1.364 ( -0.289 -0.000 -0.000) 0.289 1.455 ( -1.586 -0.000 -0.000) 1.586 1.487 ( -2.912 -0.000 -0.000) 2.912 1.506 ( -2.150 -0.000 -0.000) 2.150 1.660 ( -0.746 -0.000 -0.000) 0.746 1.723 ( -3.707 -0.000 -0.000) 3.707 1.753 ( 5.135 0.000 0.000) 5.135 1.841 ( 2.928 0.000 0.000) 2.928 1.914 ( 2.209 0.000 0.000) 2.209 1.917 ( -0.385 -0.000 -0.000) 0.385 1.965 ( 1.630 0.000 0.000) 1.630 1.969 ( -2.114 -0.000 -0.000) 2.114 2.007 ( 2.750 0.000 0.000) 2.750 2.076 ( -0.714 -0.000 -0.000) 0.714 2.824 ( 1.554 0.000 0.000) 1.554 2.835 ( 1.008 0.000 0.000) 1.008 2.953 ( -3.465 -0.000 -0.000) 3.465 2.956 ( -3.852 -0.000 -0.000) 3.852 3.082 ( -0.309 -0.000 -0.000) 0.309 3.127 ( -2.324 -0.000 -0.000) 2.324 3.726 ( 6.326 0.000 0.000) 6.326 3.747 ( 5.946 0.000 0.000) 5.946 4.196 ( -1.000 -0.000 -0.000) 1.000 4.205 ( -1.437 -0.000 -0.000) 1.437 4.285 ( -0.068 -0.000 -0.000) 0.068 4.294 ( -0.463 -0.000 -0.000) 0.463 4.584 ( -2.966 -0.000 -0.000) 2.966 4.585 ( -3.442 -0.000 -0.000) 3.442 5.142 ( 0.709 0.000 0.000) 0.709 5.151 ( 0.624 0.000 0.000) 0.624 7.227 ( -0.237 -0.000 -0.000) 0.237 7.245 ( -0.913 -0.000 -0.000) 0.913 9.265 ( -0.670 -0.000 -0.000) 0.670 9.267 ( -0.723 -0.000 -0.000) 0.723 9.391 ( -0.584 -0.000 -0.000) 0.584 9.452 ( -3.117 -0.000 -0.000) 3.117 9.459 ( 1.837 0.000 0.000) 1.837 9.495 ( 0.129 0.000 0.000) 0.129 ======================= Grid point 402 (125/125) ======================= q-point: ( 0.89 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -0.000 1.889 1.399) 2.351 0.630 ( 0.000 -0.812 -3.248) 3.348 0.825 ( 0.000 4.037 4.838) 6.301 0.848 ( 0.000 0.428 2.427) 2.464 0.899 ( -0.000 6.992 -0.567) 7.015 0.940 ( 0.000 1.670 -6.925) 7.123 1.133 ( -0.000 -1.694 1.171) 2.059 1.142 ( -0.000 -2.099 -0.750) 2.229 1.211 ( -0.000 3.347 1.231) 3.566 1.217 ( 0.000 2.653 -0.265) 2.666 1.396 ( -0.000 -0.315 3.121) 3.137 1.399 ( 0.000 -0.481 3.405) 3.439 1.466 ( -0.000 0.651 -0.597) 0.883 1.489 ( -0.000 -1.778 -4.802) 5.121 1.667 ( 0.000 0.602 0.638) 0.877 1.671 ( 0.000 0.138 -0.170) 0.219 1.832 ( -0.000 -0.363 0.117) 0.382 1.832 ( 0.000 -0.263 0.113) 0.286 1.937 ( 0.000 -0.882 1.191) 1.482 1.939 ( -0.000 -1.398 1.267) 1.887 1.964 ( -0.000 -0.777 1.243) 1.466 1.979 ( -0.000 -2.844 -1.337) 3.143 2.051 ( 0.000 0.431 -0.130) 0.450 2.056 ( -0.000 -0.138 -1.417) 1.423 2.841 ( 0.000 0.239 0.012) 0.239 2.841 ( 0.000 0.162 -0.133) 0.209 2.917 ( 0.000 -0.194 0.087) 0.212 2.918 ( 0.000 -0.323 -0.130) 0.349 3.089 ( 0.000 0.362 0.475) 0.597 3.092 ( 0.000 -0.007 -0.161) 0.161 3.794 ( -0.000 0.071 0.156) 0.172 3.795 ( -0.000 0.010 0.073) 0.074 4.189 ( -0.000 -0.084 0.096) 0.128 4.190 ( -0.000 -0.175 -0.059) 0.184 4.286 ( -0.000 0.103 0.070) 0.124 4.287 ( -0.000 0.011 -0.089) 0.090 4.553 ( -0.125 0.017 -0.009) 0.126 4.553 ( 0.125 0.021 -0.002) 0.126 5.152 ( -0.352 0.098 0.052) 0.369 5.152 ( 0.352 0.098 0.053) 0.369 7.230 ( -0.000 0.098 0.085) 0.130 7.230 ( -0.000 0.078 0.049) 0.092 9.261 ( 0.000 -0.383 0.102) 0.396 9.262 ( 0.000 -0.496 -0.074) 0.501 9.400 ( 0.000 0.631 0.280) 0.690 9.403 ( 0.000 0.271 -0.336) 0.431 9.484 ( -0.000 0.476 0.418) 0.634 9.488 ( -0.000 -0.016 -0.455) 0.455 =================== 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 3/34992 10.0 8.564 6.492 4.389 0.000 0.000 -0.000 3/34992 20.0 3.684 2.139 1.471 0.000 0.000 -0.000 3/34992 30.0 2.729 1.265 0.877 0.000 0.000 -0.000 3/34992 40.0 2.335 0.904 0.631 0.000 0.000 -0.000 3/34992 50.0 2.062 0.707 0.495 0.000 0.000 -0.000 3/34992 60.0 1.841 0.581 0.408 0.000 0.000 -0.000 3/34992 70.0 1.656 0.495 0.348 0.000 0.000 -0.000 3/34992 80.0 1.501 0.431 0.303 0.000 0.000 -0.000 3/34992 90.0 1.369 0.382 0.269 0.000 0.000 -0.000 3/34992 100.0 1.258 0.344 0.242 0.000 0.000 -0.000 3/34992 110.0 1.161 0.313 0.220 0.000 0.000 -0.000 3/34992 120.0 1.078 0.287 0.202 0.000 0.000 -0.000 3/34992 130.0 1.006 0.265 0.187 0.000 0.000 -0.000 3/34992 140.0 0.942 0.247 0.174 0.000 0.000 -0.000 3/34992 150.0 0.886 0.231 0.163 0.000 0.000 -0.000 3/34992 160.0 0.836 0.217 0.153 0.000 0.000 -0.000 3/34992 170.0 0.791 0.205 0.144 0.000 0.000 -0.000 3/34992 180.0 0.751 0.194 0.137 0.000 0.000 -0.000 3/34992 190.0 0.714 0.184 0.130 0.000 0.000 -0.000 3/34992 200.0 0.681 0.175 0.123 0.000 0.000 -0.000 3/34992 210.0 0.651 0.168 0.118 0.000 0.000 -0.000 3/34992 220.0 0.623 0.160 0.113 0.000 0.000 -0.000 3/34992 230.0 0.598 0.154 0.108 0.000 0.000 -0.000 3/34992 240.0 0.574 0.148 0.104 0.000 0.000 -0.000 3/34992 250.0 0.553 0.142 0.100 0.000 0.000 -0.000 3/34992 260.0 0.533 0.137 0.096 0.000 0.000 -0.000 3/34992 270.0 0.514 0.132 0.093 0.000 0.000 -0.000 3/34992 280.0 0.496 0.128 0.090 0.000 0.000 -0.000 3/34992 290.0 0.480 0.124 0.087 0.000 0.000 -0.000 3/34992 300.0 0.465 0.120 0.084 0.000 0.000 -0.000 3/34992 310.0 0.451 0.116 0.082 0.000 0.000 -0.000 3/34992 320.0 0.437 0.113 0.079 0.000 0.000 -0.000 3/34992 330.0 0.424 0.109 0.077 0.000 0.000 -0.000 3/34992 340.0 0.413 0.106 0.075 0.000 0.000 -0.000 3/34992 350.0 0.401 0.104 0.073 0.000 0.000 -0.000 3/34992 360.0 0.391 0.101 0.071 0.000 0.000 -0.000 3/34992 370.0 0.380 0.098 0.069 0.000 0.000 -0.000 3/34992 380.0 0.371 0.096 0.067 0.000 0.000 -0.000 3/34992 390.0 0.362 0.094 0.066 0.000 0.000 -0.000 3/34992 400.0 0.353 0.091 0.064 0.000 0.000 -0.000 3/34992 410.0 0.345 0.089 0.063 0.000 0.000 -0.000 3/34992 420.0 0.337 0.087 0.061 0.000 0.000 -0.000 3/34992 430.0 0.329 0.085 0.060 0.000 0.000 -0.000 3/34992 440.0 0.322 0.084 0.059 0.000 0.000 -0.000 3/34992 450.0 0.315 0.082 0.058 0.000 0.000 -0.000 3/34992 460.0 0.309 0.080 0.056 0.000 0.000 -0.000 3/34992 470.0 0.302 0.079 0.055 0.000 0.000 -0.000 3/34992 480.0 0.296 0.077 0.054 0.000 0.000 -0.000 3/34992 490.0 0.290 0.076 0.053 0.000 0.000 -0.000 3/34992 500.0 0.285 0.074 0.052 0.000 0.000 -0.000 3/34992 510.0 0.279 0.073 0.051 0.000 0.000 -0.000 3/34992 520.0 0.274 0.072 0.050 0.000 0.000 -0.000 3/34992 530.0 0.269 0.070 0.049 0.000 0.000 -0.000 3/34992 540.0 0.264 0.069 0.049 0.000 0.000 -0.000 3/34992 550.0 0.260 0.068 0.048 0.000 0.000 -0.000 3/34992 560.0 0.255 0.067 0.047 0.000 0.000 -0.000 3/34992 570.0 0.251 0.066 0.046 0.000 0.000 -0.000 3/34992 580.0 0.247 0.065 0.045 0.000 0.000 -0.000 3/34992 590.0 0.243 0.064 0.045 0.000 0.000 -0.000 3/34992 600.0 0.239 0.063 0.044 0.000 0.000 -0.000 3/34992 610.0 0.235 0.062 0.043 0.000 0.000 -0.000 3/34992 620.0 0.231 0.061 0.043 0.000 0.000 -0.000 3/34992 630.0 0.228 0.060 0.042 0.000 0.000 -0.000 3/34992 640.0 0.224 0.059 0.041 0.000 0.000 -0.000 3/34992 650.0 0.221 0.058 0.041 0.000 0.000 -0.000 3/34992 660.0 0.218 0.057 0.040 0.000 0.000 -0.000 3/34992 670.0 0.214 0.057 0.040 0.000 0.000 -0.000 3/34992 680.0 0.211 0.056 0.039 0.000 0.000 -0.000 3/34992 690.0 0.208 0.055 0.039 0.000 0.000 -0.000 3/34992 700.0 0.205 0.054 0.038 0.000 0.000 -0.000 3/34992 710.0 0.203 0.054 0.038 0.000 0.000 -0.000 3/34992 720.0 0.200 0.053 0.037 0.000 0.000 -0.000 3/34992 730.0 0.197 0.052 0.037 0.000 0.000 -0.000 3/34992 740.0 0.195 0.052 0.036 0.000 0.000 -0.000 3/34992 750.0 0.192 0.051 0.036 0.000 0.000 -0.000 3/34992 760.0 0.190 0.050 0.035 0.000 0.000 -0.000 3/34992 770.0 0.187 0.050 0.035 0.000 0.000 -0.000 3/34992 780.0 0.185 0.049 0.034 0.000 0.000 -0.000 3/34992 790.0 0.183 0.049 0.034 0.000 0.000 -0.000 3/34992 800.0 0.180 0.048 0.034 0.000 0.000 -0.000 3/34992 810.0 0.178 0.047 0.033 0.000 0.000 -0.000 3/34992 820.0 0.176 0.047 0.033 0.000 0.000 -0.000 3/34992 830.0 0.174 0.046 0.033 0.000 0.000 -0.000 3/34992 840.0 0.172 0.046 0.032 0.000 0.000 -0.000 3/34992 850.0 0.170 0.045 0.032 0.000 0.000 -0.000 3/34992 860.0 0.168 0.045 0.031 0.000 0.000 -0.000 3/34992 870.0 0.166 0.044 0.031 0.000 0.000 -0.000 3/34992 880.0 0.164 0.044 0.031 0.000 0.000 -0.000 3/34992 890.0 0.163 0.044 0.030 0.000 0.000 -0.000 3/34992 900.0 0.161 0.043 0.030 0.000 0.000 -0.000 3/34992 910.0 0.159 0.043 0.030 0.000 0.000 -0.000 3/34992 920.0 0.158 0.042 0.030 0.000 0.000 -0.000 3/34992 930.0 0.156 0.042 0.029 0.000 0.000 -0.000 3/34992 940.0 0.154 0.041 0.029 0.000 0.000 -0.000 3/34992 950.0 0.153 0.041 0.029 0.000 0.000 -0.000 3/34992 960.0 0.151 0.041 0.028 0.000 0.000 -0.000 3/34992 970.0 0.150 0.040 0.028 0.000 0.000 -0.000 3/34992 980.0 0.148 0.040 0.028 0.000 0.000 -0.000 3/34992 990.0 0.147 0.039 0.028 0.000 0.000 -0.000 3/34992 1000.0 0.145 0.039 0.027 0.000 0.000 -0.000 3/34992 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:50:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|