----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:59:49]------------------------- Compiled with OpenMP support (max 32 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.893933889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.711195160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.766353690000001 Atomic positions (fractional): *1 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 *2 Al 0.50000000000000 0.85355958692283 0.25000000000000 26.982 3 Al 0.00000000000000 0.35355958692283 0.25000000000000 26.982 4 Al 0.50000000000000 0.14644041307717 0.75000000000000 26.982 5 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 6 Al 0.00000000000000 0.64644041307717 0.75000000000000 26.982 7 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 *9 Si 0.71742763217777 0.58832117796970 0.25171448683979 28.085 10 Si 0.21742763217777 0.08832117796970 0.24828551316021 28.085 11 Si 0.28257236782223 0.41167882203030 0.74828551316021 28.085 12 Si 0.21742763217777 0.91167882203030 0.74828551316021 28.085 13 Si 0.71742763217777 0.41167882203030 0.75171448683979 28.085 14 Si 0.28257236782223 0.58832117796970 0.24828551316021 28.085 15 Si 0.78257236782223 0.91167882203030 0.75171448683979 28.085 16 Si 0.78257236782223 0.08832117796970 0.25171448683979 28.085 *17 Pb 0.04717541580772 0.19542621383750 0.54868726168080 207.200 18 Pb 0.04717541580772 0.80457378616250 0.04868726168080 207.200 19 Pb 0.45282458419228 0.30457378616250 0.04868726168080 207.200 20 Pb 0.54717541580772 0.69542621383750 0.95131273831920 207.200 21 Pb 0.95282458419228 0.19542621383750 0.95131273831920 207.200 22 Pb 0.54717541580772 0.30457378616250 0.45131273831920 207.200 23 Pb 0.95282458419228 0.80457378616250 0.45131273831920 207.200 24 Pb 0.45282458419228 0.69542621383750 0.54868726168080 207.200 *25 O 0.69179919588065 0.89334718706931 0.90510262577373 15.999 *26 O 0.38789354520301 0.14150919110384 0.57723252506544 15.999 27 O 0.30820080411934 0.89334718706931 0.59489737422627 15.999 28 O 0.61210645479699 0.85849080889616 0.42276747493456 15.999 *29 O 0.50000000000000 0.47877931907725 0.75000000000000 15.999 30 O 0.88789354520301 0.35849080889616 0.42276747493456 15.999 *31 O 0.34893608359866 0.00809390123122 0.83671470964342 15.999 32 O 0.30820080411934 0.10665281293069 0.09489737422627 15.999 *33 O 0.68451093932380 0.72673072681040 0.18285741457148 15.999 34 O 0.18451093932380 0.77326927318960 0.81714258542852 15.999 35 O 0.34893608359866 0.99190609876878 0.33671470964342 15.999 36 O 0.15106391640134 0.50809390123122 0.83671470964342 15.999 37 O 0.11210645479699 0.35849080889616 0.07723252506544 15.999 38 O 0.84893608359866 0.50809390123122 0.66328529035658 15.999 39 O 0.68451093932380 0.27326927318960 0.68285741457148 15.999 40 O 0.31548906067620 0.72673072681040 0.31714258542852 15.999 41 O 0.19179919588065 0.60665281293069 0.09489737422627 15.999 42 O 0.31548906067620 0.27326927318960 0.81714258542852 15.999 43 O 0.18451093932380 0.22673072681040 0.31714258542852 15.999 44 O 0.38789354520301 0.85849080889616 0.07723252506544 15.999 45 O 0.00000000000000 0.97877931907725 0.75000000000000 15.999 46 O 0.88789354520301 0.64150919110384 0.92276747493456 15.999 47 O 0.84893608359866 0.49190609876878 0.16328529035658 15.999 48 O 0.11210645479699 0.64150919110384 0.57723252506544 15.999 49 O 0.80820080411935 0.60665281293069 0.40510262577373 15.999 50 O 0.15106391640134 0.49190609876878 0.33671470964342 15.999 51 O 0.61210645479699 0.14150919110384 0.92276747493456 15.999 52 O 0.19179919588065 0.39334718706931 0.59489737422627 15.999 53 O 0.69179919588065 0.10665281293069 0.40510262577373 15.999 54 O 0.81548906067620 0.77326927318960 0.68285741457148 15.999 55 O 0.80820080411935 0.39334718706931 0.90510262577373 15.999 56 O 0.65106391640134 0.99190609876878 0.16328529035658 15.999 57 O 0.65106391640134 0.00809390123122 0.66328529035658 15.999 58 O 0.00000000000000 0.02122068092275 0.25000000000000 15.999 59 O 0.81548906067620 0.22673072681040 0.18285741457148 15.999 60 O 0.50000000000000 0.52122068092275 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.893933889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.711195160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.766353690000001 Atomic positions (fractional): *1 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 1 *2 Al 0.50000000000000 0.85355958692283 0.25000000000000 26.982 > 2 3 Al 0.00000000000000 0.35355958692283 0.25000000000000 26.982 > 3 4 Al 0.50000000000000 0.14644041307717 0.75000000000000 26.982 > 4 5 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 5 6 Al 0.00000000000000 0.64644041307717 0.75000000000000 26.982 > 6 7 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 7 8 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 8 *9 Si 0.71742763217777 0.58832117796970 0.25171448683979 28.085 > 9 10 Si 0.21742763217777 0.08832117796970 0.24828551316021 28.085 > 10 11 Si 0.28257236782223 0.41167882203030 0.74828551316021 28.085 > 11 12 Si 0.21742763217777 0.91167882203030 0.74828551316021 28.085 > 12 13 Si 0.71742763217777 0.41167882203030 0.75171448683979 28.085 > 13 14 Si 0.28257236782223 0.58832117796970 0.24828551316021 28.085 > 14 15 Si 0.78257236782223 0.91167882203030 0.75171448683979 28.085 > 15 16 Si 0.78257236782223 0.08832117796970 0.25171448683979 28.085 > 16 *17 Pb 0.04717541580772 0.19542621383750 0.54868726168080 207.200 > 17 18 Pb 0.04717541580772 0.80457378616250 0.04868726168080 207.200 > 18 19 Pb 0.45282458419228 0.30457378616250 0.04868726168080 207.200 > 19 20 Pb 0.54717541580772 0.69542621383750 0.95131273831920 207.200 > 20 21 Pb 0.95282458419228 0.19542621383750 0.95131273831920 207.200 > 21 22 Pb 0.54717541580772 0.30457378616250 0.45131273831920 207.200 > 22 23 Pb 0.95282458419228 0.80457378616250 0.45131273831920 207.200 > 23 24 Pb 0.45282458419228 0.69542621383750 0.54868726168080 207.200 > 24 *25 O 0.69179919588065 0.89334718706931 0.90510262577373 15.999 > 25 *26 O 0.38789354520301 0.14150919110384 0.57723252506544 15.999 > 26 27 O 0.30820080411934 0.89334718706931 0.59489737422627 15.999 > 27 28 O 0.61210645479699 0.85849080889616 0.42276747493456 15.999 > 28 *29 O 0.50000000000000 0.47877931907725 0.75000000000000 15.999 > 29 30 O 0.88789354520301 0.35849080889616 0.42276747493456 15.999 > 30 *31 O 0.34893608359866 0.00809390123122 0.83671470964342 15.999 > 31 32 O 0.30820080411934 0.10665281293069 0.09489737422627 15.999 > 32 *33 O 0.68451093932380 0.72673072681040 0.18285741457148 15.999 > 33 34 O 0.18451093932380 0.77326927318960 0.81714258542852 15.999 > 34 35 O 0.34893608359866 0.99190609876878 0.33671470964342 15.999 > 35 36 O 0.15106391640134 0.50809390123122 0.83671470964342 15.999 > 36 37 O 0.11210645479699 0.35849080889616 0.07723252506544 15.999 > 37 38 O 0.84893608359866 0.50809390123122 0.66328529035658 15.999 > 38 39 O 0.68451093932380 0.27326927318960 0.68285741457148 15.999 > 39 40 O 0.31548906067620 0.72673072681040 0.31714258542852 15.999 > 40 41 O 0.19179919588065 0.60665281293069 0.09489737422627 15.999 > 41 42 O 0.31548906067620 0.27326927318960 0.81714258542852 15.999 > 42 43 O 0.18451093932380 0.22673072681040 0.31714258542852 15.999 > 43 44 O 0.38789354520301 0.85849080889616 0.07723252506544 15.999 > 44 45 O 0.00000000000000 0.97877931907725 0.75000000000000 15.999 > 45 46 O 0.88789354520301 0.64150919110384 0.92276747493456 15.999 > 46 47 O 0.84893608359866 0.49190609876878 0.16328529035658 15.999 > 47 48 O 0.11210645479699 0.64150919110384 0.57723252506544 15.999 > 48 49 O 0.80820080411935 0.60665281293069 0.40510262577373 15.999 > 49 50 O 0.15106391640134 0.49190609876878 0.33671470964342 15.999 > 50 51 O 0.61210645479699 0.14150919110384 0.92276747493456 15.999 > 51 52 O 0.19179919588065 0.39334718706931 0.59489737422627 15.999 > 52 53 O 0.69179919588065 0.10665281293069 0.40510262577373 15.999 > 53 54 O 0.81548906067620 0.77326927318960 0.68285741457148 15.999 > 54 55 O 0.80820080411935 0.39334718706931 0.90510262577373 15.999 > 55 56 O 0.65106391640134 0.99190609876878 0.16328529035658 15.999 > 56 57 O 0.65106391640134 0.00809390123122 0.66328529035658 15.999 > 57 58 O 0.00000000000000 0.02122068092275 0.25000000000000 15.999 > 58 59 O 0.81548906067620 0.22673072681040 0.18285741457148 15.999 > 59 60 O 0.50000000000000 0.52122068092275 0.25000000000000 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.787867779999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.711195160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.766353690000001 Atomic positions (fractional): *1 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 1 2 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 1 *3 Al 0.25000000000000 0.85355958692283 0.25000000000000 26.982 > 2 4 Al 0.75000000000000 0.85355958692283 0.25000000000000 26.982 > 2 5 Al 0.00000000000000 0.35355958692283 0.25000000000000 26.982 > 3 6 Al 0.50000000000000 0.35355958692283 0.25000000000000 26.982 > 3 7 Al 0.25000000000000 0.14644041307717 0.75000000000000 26.982 > 4 8 Al 0.75000000000000 0.14644041307717 0.75000000000000 26.982 > 4 9 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 5 10 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 5 11 Al 0.00000000000000 0.64644041307717 0.75000000000000 26.982 > 6 12 Al 0.50000000000000 0.64644041307717 0.75000000000000 26.982 > 6 13 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 7 14 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 7 15 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 8 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 8 *17 Si 0.35871381608889 0.58832117796970 0.25171448683979 28.085 > 9 18 Si 0.85871381608889 0.58832117796970 0.25171448683979 28.085 > 9 19 Si 0.10871381608889 0.08832117796970 0.24828551316021 28.085 > 10 20 Si 0.60871381608889 0.08832117796970 0.24828551316021 28.085 > 10 21 Si 0.14128618391111 0.41167882203030 0.74828551316021 28.085 > 11 22 Si 0.64128618391111 0.41167882203030 0.74828551316021 28.085 > 11 23 Si 0.10871381608889 0.91167882203030 0.74828551316021 28.085 > 12 24 Si 0.60871381608889 0.91167882203030 0.74828551316021 28.085 > 12 25 Si 0.35871381608889 0.41167882203030 0.75171448683979 28.085 > 13 26 Si 0.85871381608889 0.41167882203030 0.75171448683979 28.085 > 13 27 Si 0.14128618391111 0.58832117796970 0.24828551316021 28.085 > 14 28 Si 0.64128618391111 0.58832117796970 0.24828551316021 28.085 > 14 29 Si 0.39128618391111 0.91167882203030 0.75171448683979 28.085 > 15 30 Si 0.89128618391111 0.91167882203030 0.75171448683979 28.085 > 15 31 Si 0.39128618391111 0.08832117796970 0.25171448683979 28.085 > 16 32 Si 0.89128618391111 0.08832117796970 0.25171448683979 28.085 > 16 *33 Pb 0.02358770790386 0.19542621383750 0.54868726168080 207.200 > 17 34 Pb 0.52358770790386 0.19542621383750 0.54868726168080 207.200 > 17 35 Pb 0.02358770790386 0.80457378616250 0.04868726168080 207.200 > 18 36 Pb 0.52358770790386 0.80457378616250 0.04868726168080 207.200 > 18 37 Pb 0.22641229209614 0.30457378616250 0.04868726168080 207.200 > 19 38 Pb 0.72641229209614 0.30457378616250 0.04868726168080 207.200 > 19 39 Pb 0.27358770790386 0.69542621383750 0.95131273831920 207.200 > 20 40 Pb 0.77358770790386 0.69542621383750 0.95131273831920 207.200 > 20 41 Pb 0.47641229209614 0.19542621383750 0.95131273831920 207.200 > 21 42 Pb 0.97641229209614 0.19542621383750 0.95131273831920 207.200 > 21 43 Pb 0.27358770790386 0.30457378616250 0.45131273831920 207.200 > 22 44 Pb 0.77358770790386 0.30457378616250 0.45131273831920 207.200 > 22 45 Pb 0.47641229209614 0.80457378616250 0.45131273831920 207.200 > 23 46 Pb 0.97641229209614 0.80457378616250 0.45131273831920 207.200 > 23 47 Pb 0.22641229209614 0.69542621383750 0.54868726168080 207.200 > 24 48 Pb 0.72641229209614 0.69542621383750 0.54868726168080 207.200 > 24 *49 O 0.34589959794033 0.89334718706931 0.90510262577373 15.999 > 25 50 O 0.84589959794033 0.89334718706931 0.90510262577373 15.999 > 25 *51 O 0.19394677260151 0.14150919110384 0.57723252506544 15.999 > 26 52 O 0.69394677260151 0.14150919110384 0.57723252506544 15.999 > 26 53 O 0.15410040205967 0.89334718706931 0.59489737422627 15.999 > 27 54 O 0.65410040205967 0.89334718706931 0.59489737422627 15.999 > 27 55 O 0.30605322739849 0.85849080889616 0.42276747493456 15.999 > 28 56 O 0.80605322739849 0.85849080889616 0.42276747493456 15.999 > 28 *57 O 0.25000000000000 0.47877931907725 0.75000000000000 15.999 > 29 58 O 0.75000000000000 0.47877931907725 0.75000000000000 15.999 > 29 59 O 0.44394677260151 0.35849080889616 0.42276747493456 15.999 > 30 60 O 0.94394677260151 0.35849080889616 0.42276747493456 15.999 > 30 *61 O 0.17446804179933 0.00809390123122 0.83671470964342 15.999 > 31 62 O 0.67446804179933 0.00809390123122 0.83671470964342 15.999 > 31 63 O 0.15410040205967 0.10665281293069 0.09489737422627 15.999 > 32 64 O 0.65410040205967 0.10665281293069 0.09489737422627 15.999 > 32 *65 O 0.34225546966190 0.72673072681040 0.18285741457148 15.999 > 33 66 O 0.84225546966190 0.72673072681040 0.18285741457148 15.999 > 33 67 O 0.09225546966190 0.77326927318960 0.81714258542852 15.999 > 34 68 O 0.59225546966190 0.77326927318960 0.81714258542852 15.999 > 34 69 O 0.17446804179933 0.99190609876878 0.33671470964342 15.999 > 35 70 O 0.67446804179933 0.99190609876878 0.33671470964342 15.999 > 35 71 O 0.07553195820067 0.50809390123122 0.83671470964342 15.999 > 36 72 O 0.57553195820067 0.50809390123122 0.83671470964342 15.999 > 36 73 O 0.05605322739849 0.35849080889616 0.07723252506544 15.999 > 37 74 O 0.55605322739849 0.35849080889616 0.07723252506544 15.999 > 37 75 O 0.42446804179933 0.50809390123122 0.66328529035658 15.999 > 38 76 O 0.92446804179933 0.50809390123122 0.66328529035658 15.999 > 38 77 O 0.34225546966190 0.27326927318960 0.68285741457148 15.999 > 39 78 O 0.84225546966190 0.27326927318960 0.68285741457148 15.999 > 39 79 O 0.15774453033810 0.72673072681040 0.31714258542852 15.999 > 40 80 O 0.65774453033810 0.72673072681040 0.31714258542852 15.999 > 40 81 O 0.09589959794033 0.60665281293069 0.09489737422627 15.999 > 41 82 O 0.59589959794033 0.60665281293069 0.09489737422627 15.999 > 41 83 O 0.15774453033810 0.27326927318960 0.81714258542852 15.999 > 42 84 O 0.65774453033810 0.27326927318960 0.81714258542852 15.999 > 42 85 O 0.09225546966190 0.22673072681040 0.31714258542852 15.999 > 43 86 O 0.59225546966190 0.22673072681040 0.31714258542852 15.999 > 43 87 O 0.19394677260151 0.85849080889616 0.07723252506544 15.999 > 44 88 O 0.69394677260151 0.85849080889616 0.07723252506544 15.999 > 44 89 O 0.00000000000000 0.97877931907725 0.75000000000000 15.999 > 45 90 O 0.50000000000000 0.97877931907725 0.75000000000000 15.999 > 45 91 O 0.44394677260151 0.64150919110384 0.92276747493456 15.999 > 46 92 O 0.94394677260151 0.64150919110384 0.92276747493456 15.999 > 46 93 O 0.42446804179933 0.49190609876878 0.16328529035658 15.999 > 47 94 O 0.92446804179933 0.49190609876878 0.16328529035658 15.999 > 47 95 O 0.05605322739849 0.64150919110384 0.57723252506544 15.999 > 48 96 O 0.55605322739849 0.64150919110384 0.57723252506544 15.999 > 48 97 O 0.40410040205967 0.60665281293069 0.40510262577373 15.999 > 49 98 O 0.90410040205967 0.60665281293069 0.40510262577373 15.999 > 49 99 O 0.07553195820067 0.49190609876878 0.33671470964342 15.999 > 50 100 O 0.57553195820067 0.49190609876878 0.33671470964342 15.999 > 50 101 O 0.30605322739849 0.14150919110384 0.92276747493456 15.999 > 51 102 O 0.80605322739849 0.14150919110384 0.92276747493456 15.999 > 51 103 O 0.09589959794033 0.39334718706931 0.59489737422627 15.999 > 52 104 O 0.59589959794033 0.39334718706931 0.59489737422627 15.999 > 52 105 O 0.34589959794033 0.10665281293069 0.40510262577373 15.999 > 53 106 O 0.84589959794033 0.10665281293069 0.40510262577373 15.999 > 53 107 O 0.40774453033810 0.77326927318960 0.68285741457148 15.999 > 54 108 O 0.90774453033810 0.77326927318960 0.68285741457148 15.999 > 54 109 O 0.40410040205967 0.39334718706931 0.90510262577373 15.999 > 55 110 O 0.90410040205967 0.39334718706931 0.90510262577373 15.999 > 55 111 O 0.32553195820067 0.99190609876878 0.16328529035658 15.999 > 56 112 O 0.82553195820067 0.99190609876878 0.16328529035658 15.999 > 56 113 O 0.32553195820067 0.00809390123122 0.66328529035658 15.999 > 57 114 O 0.82553195820067 0.00809390123122 0.66328529035658 15.999 > 57 115 O 0.00000000000000 0.02122068092275 0.25000000000000 15.999 > 58 116 O 0.50000000000000 0.02122068092275 0.25000000000000 15.999 > 58 117 O 0.40774453033810 0.22673072681040 0.18285741457148 15.999 > 59 118 O 0.90774453033810 0.22673072681040 0.18285741457148 15.999 > 59 119 O 0.25000000000000 0.52122068092275 0.25000000000000 15.999 > 60 120 O 0.75000000000000 0.52122068092275 0.25000000000000 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1742169 0.0000000 0.0000000 0.0000000 4.0014355 0.0000000 0.0000000 0.0000000 4.0277559 -------------------------- Born effective charges -------------------------- 1 Al 2.7842110 0.1007664 -0.1024719 0.0551215 3.5474544 -0.0934206 0.1244435 -0.1911710 3.0267976 2 Al 2.6969048 -0.0000000 -0.0391069 0.0000000 3.2959163 0.0000000 -0.0772003 0.0000000 3.3320562 3 Al 2.6969048 -0.0000000 0.0391069 0.0000000 3.2959163 0.0000000 0.0772003 0.0000000 3.3320562 4 Al 2.6969048 -0.0000000 -0.0391069 0.0000000 3.2959163 0.0000000 -0.0772003 0.0000000 3.3320562 5 Al 2.7842110 -0.1007664 0.1024719 -0.0551215 3.5474544 -0.0934206 -0.1244435 -0.1911710 3.0267976 6 Al 2.6969048 -0.0000000 0.0391069 0.0000000 3.2959163 0.0000000 0.0772003 0.0000000 3.3320562 7 Al 2.7842110 -0.1007664 -0.1024719 -0.0551215 3.5474544 0.0934206 0.1244435 0.1911710 3.0267976 8 Al 2.7842110 0.1007664 0.1024719 0.0551215 3.5474544 0.0934206 -0.1244435 0.1911710 3.0267976 9 Si 3.2588873 -0.1888599 0.1161370 -0.0777422 3.1283772 0.4085866 0.2403106 -0.3958670 3.3495951 10 Si 3.2588873 -0.1888599 -0.1161370 -0.0777422 3.1283772 -0.4085866 -0.2403106 0.3958670 3.3495951 11 Si 3.2588873 -0.1888599 0.1161370 -0.0777422 3.1283772 0.4085866 0.2403106 -0.3958670 3.3495951 12 Si 3.2588873 0.1888599 -0.1161370 0.0777422 3.1283772 0.4085866 -0.2403106 -0.3958670 3.3495951 13 Si 3.2588873 0.1888599 0.1161370 0.0777422 3.1283772 -0.4085866 0.2403106 0.3958670 3.3495951 14 Si 3.2588873 0.1888599 0.1161370 0.0777422 3.1283772 -0.4085866 0.2403106 0.3958670 3.3495951 15 Si 3.2588873 -0.1888599 -0.1161370 -0.0777422 3.1283772 -0.4085866 -0.2403106 0.3958670 3.3495951 16 Si 3.2588873 0.1888599 -0.1161370 0.0777422 3.1283772 0.4085866 -0.2403106 -0.3958670 3.3495951 17 Pb 3.8340755 -0.2670753 0.2862778 -0.1833203 2.6924241 -0.2660538 0.2025835 -0.2617724 2.6716488 18 Pb 3.8340755 0.2670753 0.2862778 0.1833203 2.6924241 0.2660538 0.2025835 0.2617724 2.6716488 19 Pb 3.8340755 -0.2670753 -0.2862778 -0.1833203 2.6924241 0.2660538 -0.2025835 0.2617724 2.6716488 20 Pb 3.8340755 -0.2670753 -0.2862778 -0.1833203 2.6924241 0.2660538 -0.2025835 0.2617724 2.6716488 21 Pb 3.8340755 0.2670753 0.2862778 0.1833203 2.6924241 0.2660538 0.2025835 0.2617724 2.6716488 22 Pb 3.8340755 0.2670753 -0.2862778 0.1833203 2.6924241 -0.2660538 -0.2025835 -0.2617724 2.6716488 23 Pb 3.8340755 -0.2670753 0.2862778 -0.1833203 2.6924241 -0.2660538 0.2025835 -0.2617724 2.6716488 24 Pb 3.8340755 0.2670753 -0.2862778 0.1833203 2.6924241 -0.2660538 -0.2025835 -0.2617724 2.6716488 25 O -2.0257792 -0.0164307 0.4681546 -0.1053744 -2.1948950 0.3999784 0.5596780 0.1715800 -2.1545673 26 O -2.5492476 -0.1529619 0.1730213 0.1763863 -2.1729950 0.3310205 -0.0381041 0.2241451 -1.9394951 27 O -2.0257792 0.0164307 0.4681546 0.1053744 -2.1948950 -0.3999784 0.5596780 -0.1715800 -2.1545673 28 O -2.5492476 -0.1529619 0.1730213 0.1763863 -2.1729950 0.3310205 -0.0381041 0.2241451 -1.9394951 29 O -2.7589832 -0.0000000 -0.0444257 0.0000000 -1.9078628 0.0000000 -0.0830545 0.0000000 -1.4924163 30 O -2.5492476 0.1529619 -0.1730213 -0.1763863 -2.1729950 0.3310205 0.0381041 0.2241451 -1.9394951 31 O -1.8945702 -0.5727179 -0.3108608 -0.5114100 -2.0544785 -0.1430131 -0.3884397 -0.1332180 -1.9894368 32 O -2.0257792 -0.0164307 0.4681546 -0.1053744 -2.1948950 0.3999784 0.5596780 0.1715800 -2.1545673 33 O -1.9844320 0.1734776 -0.1043958 0.2346046 -1.8661869 0.1914574 -0.0982953 0.2091067 -2.3709636 34 O -1.9844320 -0.1734776 0.1043958 -0.2346046 -1.8661869 0.1914574 0.0982953 0.2091067 -2.3709636 35 O -1.8945702 0.5727179 -0.3108608 0.5114100 -2.0544785 0.1430131 -0.3884397 0.1332180 -1.9894368 36 O -1.8945702 0.5727179 0.3108608 0.5114100 -2.0544785 -0.1430131 0.3884397 -0.1332180 -1.9894368 37 O -2.5492476 -0.1529619 -0.1730213 0.1763863 -2.1729950 -0.3310205 0.0381041 -0.2241451 -1.9394951 38 O -1.8945702 -0.5727179 0.3108608 -0.5114100 -2.0544785 0.1430131 0.3884397 0.1332180 -1.9894368 39 O -1.9844320 -0.1734776 -0.1043958 -0.2346046 -1.8661869 -0.1914574 -0.0982953 -0.2091067 -2.3709636 40 O -1.9844320 -0.1734776 -0.1043958 -0.2346046 -1.8661869 -0.1914574 -0.0982953 -0.2091067 -2.3709636 41 O -2.0257792 0.0164307 -0.4681546 0.1053744 -2.1948950 0.3999784 -0.5596780 0.1715800 -2.1545673 42 O -1.9844320 0.1734776 -0.1043958 0.2346046 -1.8661869 0.1914574 -0.0982953 0.2091067 -2.3709636 43 O -1.9844320 0.1734776 0.1043958 0.2346046 -1.8661869 -0.1914574 0.0982953 -0.2091067 -2.3709636 44 O -2.5492476 0.1529619 0.1730213 -0.1763863 -2.1729950 -0.3310205 -0.0381041 -0.2241451 -1.9394951 45 O -2.7589832 -0.0000000 0.0444257 0.0000000 -1.9078628 0.0000000 0.0830545 0.0000000 -1.4924163 46 O -2.5492476 -0.1529619 -0.1730213 0.1763863 -2.1729950 -0.3310205 0.0381041 -0.2241451 -1.9394951 47 O -1.8945702 0.5727179 0.3108608 0.5114100 -2.0544785 -0.1430131 0.3884397 -0.1332180 -1.9894368 48 O -2.5492476 0.1529619 -0.1730213 -0.1763863 -2.1729950 0.3310205 0.0381041 0.2241451 -1.9394951 49 O -2.0257792 -0.0164307 -0.4681546 -0.1053744 -2.1948950 -0.3999784 -0.5596780 -0.1715800 -2.1545673 50 O -1.8945702 -0.5727179 0.3108608 -0.5114100 -2.0544785 0.1430131 0.3884397 0.1332180 -1.9894368 51 O -2.5492476 0.1529619 0.1730213 -0.1763863 -2.1729950 -0.3310205 -0.0381041 -0.2241451 -1.9394951 52 O -2.0257792 -0.0164307 -0.4681546 -0.1053744 -2.1948950 -0.3999784 -0.5596780 -0.1715800 -2.1545673 53 O -2.0257792 0.0164307 0.4681546 0.1053744 -2.1948950 -0.3999784 0.5596780 -0.1715800 -2.1545673 54 O -1.9844320 0.1734776 0.1043958 0.2346046 -1.8661869 -0.1914574 0.0982953 -0.2091067 -2.3709636 55 O -2.0257792 0.0164307 -0.4681546 0.1053744 -2.1948950 0.3999784 -0.5596780 0.1715800 -2.1545673 56 O -1.8945702 -0.5727179 -0.3108608 -0.5114100 -2.0544785 -0.1430131 -0.3884397 -0.1332180 -1.9894368 57 O -1.8945702 0.5727179 -0.3108608 0.5114100 -2.0544785 0.1430131 -0.3884397 0.1332180 -1.9894368 58 O -2.7589832 -0.0000000 0.0444257 0.0000000 -1.9078628 0.0000000 0.0830545 0.0000000 -1.4924163 59 O -1.9844320 -0.1734776 0.1043958 -0.2346046 -1.8661869 0.1914574 0.0982953 0.2091067 -2.3709636 60 O -2.7589832 -0.0000000 -0.0444257 0.0000000 -1.9078628 0.0000000 -0.0830545 0.0000000 -1.4924163 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4198 Number of blocks in projector: 4198 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: 910 Use submatrix version of eigh solver. (1) Block: 500 / 910 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 910 / 910 (1) 396 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 382 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 382 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4198, 4125), data: False |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (894, 880), data: False |-- (894, 12), data: (894, 26) @ (26, 12) |-- (394, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (894, 880), data: False |-- (894, 12), data: (894, 26) @ (26, 12) |-- (394, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (910, 892), data: False |-- (910, 14), data: (910, 32) @ (32, 14) |-- (410, 396), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 960 - Time: 1.208 Solver_block: 200 / 960 - Time: 1.118 Solver_block: 300 / 960 - Time: 1.120 Solver_block: 400 / 960 - Time: 1.117 Solver_block: 500 / 960 - Time: 1.117 Solver_block: 600 / 960 - Time: 1.120 Solver_block: 700 / 960 - Time: 1.116 Solver_block: 800 / 960 - Time: 1.116 Solver_block: 900 / 960 - Time: 1.117 Solver_block: 960 / 960 - Time: 0.756 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.173 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4198 Number of blocks in projector: 4198 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: 910 Use submatrix version of eigh solver. (1) Block: 500 / 910 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 910 / 910 (1) 396 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 382 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 382 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4198, 4125), data: False |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (894, 880), data: False |-- (894, 12), data: (894, 26) @ (26, 12) |-- (394, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (894, 880), data: False |-- (894, 12), data: (894, 26) @ (26, 12) |-- (394, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (910, 892), data: False |-- (910, 14), data: (910, 32) @ (32, 14) |-- (410, 396), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:00:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:00:50]------------------------- Compiled with OpenMP support (max 32 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.893933889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.711195160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.766353690000001 Atomic positions (fractional): 1 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 2 Al 0.50000000000000 0.85355958692283 0.25000000000000 26.982 3 Al 0.00000000000000 0.35355958692283 0.25000000000000 26.982 4 Al 0.50000000000000 0.14644041307717 0.75000000000000 26.982 5 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 6 Al 0.00000000000000 0.64644041307717 0.75000000000000 26.982 7 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 9 Si 0.71742763217777 0.58832117796970 0.25171448683979 28.085 10 Si 0.21742763217777 0.08832117796970 0.24828551316021 28.085 11 Si 0.28257236782223 0.41167882203030 0.74828551316021 28.085 12 Si 0.21742763217777 0.91167882203030 0.74828551316021 28.085 13 Si 0.71742763217777 0.41167882203030 0.75171448683979 28.085 14 Si 0.28257236782223 0.58832117796970 0.24828551316021 28.085 15 Si 0.78257236782223 0.91167882203030 0.75171448683979 28.085 16 Si 0.78257236782223 0.08832117796970 0.25171448683979 28.085 17 Pb 0.04717541580772 0.19542621383750 0.54868726168080 207.200 18 Pb 0.04717541580772 0.80457378616250 0.04868726168080 207.200 19 Pb 0.45282458419228 0.30457378616250 0.04868726168080 207.200 20 Pb 0.54717541580772 0.69542621383750 0.95131273831920 207.200 21 Pb 0.95282458419228 0.19542621383750 0.95131273831920 207.200 22 Pb 0.54717541580772 0.30457378616250 0.45131273831920 207.200 23 Pb 0.95282458419228 0.80457378616250 0.45131273831920 207.200 24 Pb 0.45282458419228 0.69542621383750 0.54868726168080 207.200 25 O 0.69179919588065 0.89334718706931 0.90510262577373 15.999 26 O 0.38789354520301 0.14150919110384 0.57723252506544 15.999 27 O 0.30820080411934 0.89334718706931 0.59489737422627 15.999 28 O 0.61210645479699 0.85849080889616 0.42276747493456 15.999 29 O 0.50000000000000 0.47877931907725 0.75000000000000 15.999 30 O 0.88789354520301 0.35849080889616 0.42276747493456 15.999 31 O 0.34893608359866 0.00809390123122 0.83671470964342 15.999 32 O 0.30820080411934 0.10665281293069 0.09489737422627 15.999 33 O 0.68451093932380 0.72673072681040 0.18285741457148 15.999 34 O 0.18451093932380 0.77326927318960 0.81714258542852 15.999 35 O 0.34893608359866 0.99190609876878 0.33671470964342 15.999 36 O 0.15106391640134 0.50809390123122 0.83671470964342 15.999 37 O 0.11210645479699 0.35849080889616 0.07723252506544 15.999 38 O 0.84893608359866 0.50809390123122 0.66328529035658 15.999 39 O 0.68451093932380 0.27326927318960 0.68285741457148 15.999 40 O 0.31548906067620 0.72673072681040 0.31714258542852 15.999 41 O 0.19179919588065 0.60665281293069 0.09489737422627 15.999 42 O 0.31548906067620 0.27326927318960 0.81714258542852 15.999 43 O 0.18451093932380 0.22673072681040 0.31714258542852 15.999 44 O 0.38789354520301 0.85849080889616 0.07723252506544 15.999 45 O 0.00000000000000 0.97877931907725 0.75000000000000 15.999 46 O 0.88789354520301 0.64150919110384 0.92276747493456 15.999 47 O 0.84893608359866 0.49190609876878 0.16328529035658 15.999 48 O 0.11210645479699 0.64150919110384 0.57723252506544 15.999 49 O 0.80820080411935 0.60665281293069 0.40510262577373 15.999 50 O 0.15106391640134 0.49190609876878 0.33671470964342 15.999 51 O 0.61210645479699 0.14150919110384 0.92276747493456 15.999 52 O 0.19179919588065 0.39334718706931 0.59489737422627 15.999 53 O 0.69179919588065 0.10665281293069 0.40510262577373 15.999 54 O 0.81548906067620 0.77326927318960 0.68285741457148 15.999 55 O 0.80820080411935 0.39334718706931 0.90510262577373 15.999 56 O 0.65106391640134 0.99190609876878 0.16328529035658 15.999 57 O 0.65106391640134 0.00809390123122 0.66328529035658 15.999 58 O 0.00000000000000 0.02122068092275 0.25000000000000 15.999 59 O 0.81548906067620 0.22673072681040 0.18285741457148 15.999 60 O 0.50000000000000 0.52122068092275 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.787867779999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.711195160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.766353690000001 Atomic positions (fractional): 1 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 1 2 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 1 3 Al 0.25000000000000 0.85355958692283 0.25000000000000 26.982 > 3 4 Al 0.75000000000000 0.85355958692283 0.25000000000000 26.982 > 3 5 Al 0.00000000000000 0.35355958692283 0.25000000000000 26.982 > 5 6 Al 0.50000000000000 0.35355958692283 0.25000000000000 26.982 > 5 7 Al 0.25000000000000 0.14644041307717 0.75000000000000 26.982 > 7 8 Al 0.75000000000000 0.14644041307717 0.75000000000000 26.982 > 7 9 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 9 10 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 9 11 Al 0.00000000000000 0.64644041307717 0.75000000000000 26.982 > 11 12 Al 0.50000000000000 0.64644041307717 0.75000000000000 26.982 > 11 13 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 13 14 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 13 15 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 15 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 15 17 Si 0.35871381608889 0.58832117796970 0.25171448683979 28.085 > 17 18 Si 0.85871381608889 0.58832117796970 0.25171448683979 28.085 > 17 19 Si 0.10871381608889 0.08832117796970 0.24828551316021 28.085 > 19 20 Si 0.60871381608889 0.08832117796970 0.24828551316021 28.085 > 19 21 Si 0.14128618391111 0.41167882203030 0.74828551316021 28.085 > 21 22 Si 0.64128618391111 0.41167882203030 0.74828551316021 28.085 > 21 23 Si 0.10871381608889 0.91167882203030 0.74828551316021 28.085 > 23 24 Si 0.60871381608889 0.91167882203030 0.74828551316021 28.085 > 23 25 Si 0.35871381608889 0.41167882203030 0.75171448683979 28.085 > 25 26 Si 0.85871381608889 0.41167882203030 0.75171448683979 28.085 > 25 27 Si 0.14128618391111 0.58832117796970 0.24828551316021 28.085 > 27 28 Si 0.64128618391111 0.58832117796970 0.24828551316021 28.085 > 27 29 Si 0.39128618391111 0.91167882203030 0.75171448683979 28.085 > 29 30 Si 0.89128618391111 0.91167882203030 0.75171448683979 28.085 > 29 31 Si 0.39128618391111 0.08832117796970 0.25171448683979 28.085 > 31 32 Si 0.89128618391111 0.08832117796970 0.25171448683979 28.085 > 31 33 Pb 0.02358770790386 0.19542621383750 0.54868726168080 207.200 > 33 34 Pb 0.52358770790386 0.19542621383750 0.54868726168080 207.200 > 33 35 Pb 0.02358770790386 0.80457378616250 0.04868726168080 207.200 > 35 36 Pb 0.52358770790386 0.80457378616250 0.04868726168080 207.200 > 35 37 Pb 0.22641229209614 0.30457378616250 0.04868726168080 207.200 > 37 38 Pb 0.72641229209614 0.30457378616250 0.04868726168080 207.200 > 37 39 Pb 0.27358770790386 0.69542621383750 0.95131273831920 207.200 > 39 40 Pb 0.77358770790386 0.69542621383750 0.95131273831920 207.200 > 39 41 Pb 0.47641229209614 0.19542621383750 0.95131273831920 207.200 > 41 42 Pb 0.97641229209614 0.19542621383750 0.95131273831920 207.200 > 41 43 Pb 0.27358770790386 0.30457378616250 0.45131273831920 207.200 > 43 44 Pb 0.77358770790386 0.30457378616250 0.45131273831920 207.200 > 43 45 Pb 0.47641229209614 0.80457378616250 0.45131273831920 207.200 > 45 46 Pb 0.97641229209614 0.80457378616250 0.45131273831920 207.200 > 45 47 Pb 0.22641229209614 0.69542621383750 0.54868726168080 207.200 > 47 48 Pb 0.72641229209614 0.69542621383750 0.54868726168080 207.200 > 47 49 O 0.34589959794033 0.89334718706931 0.90510262577373 15.999 > 49 50 O 0.84589959794033 0.89334718706931 0.90510262577373 15.999 > 49 51 O 0.19394677260151 0.14150919110384 0.57723252506544 15.999 > 51 52 O 0.69394677260151 0.14150919110384 0.57723252506544 15.999 > 51 53 O 0.15410040205967 0.89334718706931 0.59489737422627 15.999 > 53 54 O 0.65410040205967 0.89334718706931 0.59489737422627 15.999 > 53 55 O 0.30605322739849 0.85849080889616 0.42276747493456 15.999 > 55 56 O 0.80605322739849 0.85849080889616 0.42276747493456 15.999 > 55 57 O 0.25000000000000 0.47877931907725 0.75000000000000 15.999 > 57 58 O 0.75000000000000 0.47877931907725 0.75000000000000 15.999 > 57 59 O 0.44394677260151 0.35849080889616 0.42276747493456 15.999 > 59 60 O 0.94394677260151 0.35849080889616 0.42276747493456 15.999 > 59 61 O 0.17446804179933 0.00809390123122 0.83671470964342 15.999 > 61 62 O 0.67446804179933 0.00809390123122 0.83671470964342 15.999 > 61 63 O 0.15410040205967 0.10665281293069 0.09489737422627 15.999 > 63 64 O 0.65410040205967 0.10665281293069 0.09489737422627 15.999 > 63 65 O 0.34225546966190 0.72673072681040 0.18285741457148 15.999 > 65 66 O 0.84225546966190 0.72673072681040 0.18285741457148 15.999 > 65 67 O 0.09225546966190 0.77326927318960 0.81714258542852 15.999 > 67 68 O 0.59225546966190 0.77326927318960 0.81714258542852 15.999 > 67 69 O 0.17446804179933 0.99190609876878 0.33671470964342 15.999 > 69 70 O 0.67446804179933 0.99190609876878 0.33671470964342 15.999 > 69 71 O 0.07553195820067 0.50809390123122 0.83671470964342 15.999 > 71 72 O 0.57553195820067 0.50809390123122 0.83671470964342 15.999 > 71 73 O 0.05605322739849 0.35849080889616 0.07723252506544 15.999 > 73 74 O 0.55605322739849 0.35849080889616 0.07723252506544 15.999 > 73 75 O 0.42446804179933 0.50809390123122 0.66328529035658 15.999 > 75 76 O 0.92446804179933 0.50809390123122 0.66328529035658 15.999 > 75 77 O 0.34225546966190 0.27326927318960 0.68285741457148 15.999 > 77 78 O 0.84225546966190 0.27326927318960 0.68285741457148 15.999 > 77 79 O 0.15774453033810 0.72673072681040 0.31714258542852 15.999 > 79 80 O 0.65774453033810 0.72673072681040 0.31714258542852 15.999 > 79 81 O 0.09589959794033 0.60665281293069 0.09489737422627 15.999 > 81 82 O 0.59589959794033 0.60665281293069 0.09489737422627 15.999 > 81 83 O 0.15774453033810 0.27326927318960 0.81714258542852 15.999 > 83 84 O 0.65774453033810 0.27326927318960 0.81714258542852 15.999 > 83 85 O 0.09225546966190 0.22673072681040 0.31714258542852 15.999 > 85 86 O 0.59225546966190 0.22673072681040 0.31714258542852 15.999 > 85 87 O 0.19394677260151 0.85849080889616 0.07723252506544 15.999 > 87 88 O 0.69394677260151 0.85849080889616 0.07723252506544 15.999 > 87 89 O 0.00000000000000 0.97877931907725 0.75000000000000 15.999 > 89 90 O 0.50000000000000 0.97877931907725 0.75000000000000 15.999 > 89 91 O 0.44394677260151 0.64150919110384 0.92276747493456 15.999 > 91 92 O 0.94394677260151 0.64150919110384 0.92276747493456 15.999 > 91 93 O 0.42446804179933 0.49190609876878 0.16328529035658 15.999 > 93 94 O 0.92446804179933 0.49190609876878 0.16328529035658 15.999 > 93 95 O 0.05605322739849 0.64150919110384 0.57723252506544 15.999 > 95 96 O 0.55605322739849 0.64150919110384 0.57723252506544 15.999 > 95 97 O 0.40410040205967 0.60665281293069 0.40510262577373 15.999 > 97 98 O 0.90410040205967 0.60665281293069 0.40510262577373 15.999 > 97 99 O 0.07553195820067 0.49190609876878 0.33671470964342 15.999 > 99 100 O 0.57553195820067 0.49190609876878 0.33671470964342 15.999 > 99 101 O 0.30605322739849 0.14150919110384 0.92276747493456 15.999 > 101 102 O 0.80605322739849 0.14150919110384 0.92276747493456 15.999 > 101 103 O 0.09589959794033 0.39334718706931 0.59489737422627 15.999 > 103 104 O 0.59589959794033 0.39334718706931 0.59489737422627 15.999 > 103 105 O 0.34589959794033 0.10665281293069 0.40510262577373 15.999 > 105 106 O 0.84589959794033 0.10665281293069 0.40510262577373 15.999 > 105 107 O 0.40774453033810 0.77326927318960 0.68285741457148 15.999 > 107 108 O 0.90774453033810 0.77326927318960 0.68285741457148 15.999 > 107 109 O 0.40410040205967 0.39334718706931 0.90510262577373 15.999 > 109 110 O 0.90410040205967 0.39334718706931 0.90510262577373 15.999 > 109 111 O 0.32553195820067 0.99190609876878 0.16328529035658 15.999 > 111 112 O 0.82553195820067 0.99190609876878 0.16328529035658 15.999 > 111 113 O 0.32553195820067 0.00809390123122 0.66328529035658 15.999 > 113 114 O 0.82553195820067 0.00809390123122 0.66328529035658 15.999 > 113 115 O 0.00000000000000 0.02122068092275 0.25000000000000 15.999 > 115 116 O 0.50000000000000 0.02122068092275 0.25000000000000 15.999 > 115 117 O 0.40774453033810 0.22673072681040 0.18285741457148 15.999 > 117 118 O 0.90774453033810 0.22673072681040 0.18285741457148 15.999 > 117 119 O 0.25000000000000 0.52122068092275 0.25000000000000 15.999 > 119 120 O 0.75000000000000 0.52122068092275 0.25000000000000 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1742169 0.0000000 0.0000000 0.0000000 4.0014355 0.0000000 0.0000000 0.0000000 4.0277559 -------------------------- Born effective charges -------------------------- 1 Al 2.7842110 0.1007664 -0.1024719 0.0551215 3.5474544 -0.0934206 0.1244435 -0.1911710 3.0267976 2 Al 2.6969048 -0.0000000 -0.0391069 0.0000000 3.2959163 0.0000000 -0.0772003 0.0000000 3.3320562 3 Al 2.6969048 -0.0000000 0.0391069 0.0000000 3.2959163 0.0000000 0.0772003 0.0000000 3.3320562 4 Al 2.6969048 -0.0000000 -0.0391069 0.0000000 3.2959163 0.0000000 -0.0772003 0.0000000 3.3320562 5 Al 2.7842110 -0.1007664 0.1024719 -0.0551215 3.5474544 -0.0934206 -0.1244435 -0.1911710 3.0267976 6 Al 2.6969048 -0.0000000 0.0391069 0.0000000 3.2959163 0.0000000 0.0772003 0.0000000 3.3320562 7 Al 2.7842110 -0.1007664 -0.1024719 -0.0551215 3.5474544 0.0934206 0.1244435 0.1911710 3.0267976 8 Al 2.7842110 0.1007664 0.1024719 0.0551215 3.5474544 0.0934206 -0.1244435 0.1911710 3.0267976 9 Si 3.2588873 -0.1888599 0.1161370 -0.0777422 3.1283772 0.4085866 0.2403106 -0.3958670 3.3495951 10 Si 3.2588873 -0.1888599 -0.1161370 -0.0777422 3.1283772 -0.4085866 -0.2403106 0.3958670 3.3495951 11 Si 3.2588873 -0.1888599 0.1161370 -0.0777422 3.1283772 0.4085866 0.2403106 -0.3958670 3.3495951 12 Si 3.2588873 0.1888599 -0.1161370 0.0777422 3.1283772 0.4085866 -0.2403106 -0.3958670 3.3495951 13 Si 3.2588873 0.1888599 0.1161370 0.0777422 3.1283772 -0.4085866 0.2403106 0.3958670 3.3495951 14 Si 3.2588873 0.1888599 0.1161370 0.0777422 3.1283772 -0.4085866 0.2403106 0.3958670 3.3495951 15 Si 3.2588873 -0.1888599 -0.1161370 -0.0777422 3.1283772 -0.4085866 -0.2403106 0.3958670 3.3495951 16 Si 3.2588873 0.1888599 -0.1161370 0.0777422 3.1283772 0.4085866 -0.2403106 -0.3958670 3.3495951 17 Pb 3.8340755 -0.2670753 0.2862778 -0.1833203 2.6924241 -0.2660538 0.2025835 -0.2617724 2.6716488 18 Pb 3.8340755 0.2670753 0.2862778 0.1833203 2.6924241 0.2660538 0.2025835 0.2617724 2.6716488 19 Pb 3.8340755 -0.2670753 -0.2862778 -0.1833203 2.6924241 0.2660538 -0.2025835 0.2617724 2.6716488 20 Pb 3.8340755 -0.2670753 -0.2862778 -0.1833203 2.6924241 0.2660538 -0.2025835 0.2617724 2.6716488 21 Pb 3.8340755 0.2670753 0.2862778 0.1833203 2.6924241 0.2660538 0.2025835 0.2617724 2.6716488 22 Pb 3.8340755 0.2670753 -0.2862778 0.1833203 2.6924241 -0.2660538 -0.2025835 -0.2617724 2.6716488 23 Pb 3.8340755 -0.2670753 0.2862778 -0.1833203 2.6924241 -0.2660538 0.2025835 -0.2617724 2.6716488 24 Pb 3.8340755 0.2670753 -0.2862778 0.1833203 2.6924241 -0.2660538 -0.2025835 -0.2617724 2.6716488 25 O -2.0257792 -0.0164307 0.4681546 -0.1053744 -2.1948950 0.3999784 0.5596780 0.1715800 -2.1545673 26 O -2.5492476 -0.1529619 0.1730213 0.1763863 -2.1729950 0.3310205 -0.0381041 0.2241451 -1.9394951 27 O -2.0257792 0.0164307 0.4681546 0.1053744 -2.1948950 -0.3999784 0.5596780 -0.1715800 -2.1545673 28 O -2.5492476 -0.1529619 0.1730213 0.1763863 -2.1729950 0.3310205 -0.0381041 0.2241451 -1.9394951 29 O -2.7589832 -0.0000000 -0.0444257 0.0000000 -1.9078628 0.0000000 -0.0830545 0.0000000 -1.4924163 30 O -2.5492476 0.1529619 -0.1730213 -0.1763863 -2.1729950 0.3310205 0.0381041 0.2241451 -1.9394951 31 O -1.8945702 -0.5727179 -0.3108608 -0.5114100 -2.0544785 -0.1430131 -0.3884397 -0.1332180 -1.9894368 32 O -2.0257792 -0.0164307 0.4681546 -0.1053744 -2.1948950 0.3999784 0.5596780 0.1715800 -2.1545673 33 O -1.9844320 0.1734776 -0.1043958 0.2346046 -1.8661869 0.1914574 -0.0982953 0.2091067 -2.3709636 34 O -1.9844320 -0.1734776 0.1043958 -0.2346046 -1.8661869 0.1914574 0.0982953 0.2091067 -2.3709636 35 O -1.8945702 0.5727179 -0.3108608 0.5114100 -2.0544785 0.1430131 -0.3884397 0.1332180 -1.9894368 36 O -1.8945702 0.5727179 0.3108608 0.5114100 -2.0544785 -0.1430131 0.3884397 -0.1332180 -1.9894368 37 O -2.5492476 -0.1529619 -0.1730213 0.1763863 -2.1729950 -0.3310205 0.0381041 -0.2241451 -1.9394951 38 O -1.8945702 -0.5727179 0.3108608 -0.5114100 -2.0544785 0.1430131 0.3884397 0.1332180 -1.9894368 39 O -1.9844320 -0.1734776 -0.1043958 -0.2346046 -1.8661869 -0.1914574 -0.0982953 -0.2091067 -2.3709636 40 O -1.9844320 -0.1734776 -0.1043958 -0.2346046 -1.8661869 -0.1914574 -0.0982953 -0.2091067 -2.3709636 41 O -2.0257792 0.0164307 -0.4681546 0.1053744 -2.1948950 0.3999784 -0.5596780 0.1715800 -2.1545673 42 O -1.9844320 0.1734776 -0.1043958 0.2346046 -1.8661869 0.1914574 -0.0982953 0.2091067 -2.3709636 43 O -1.9844320 0.1734776 0.1043958 0.2346046 -1.8661869 -0.1914574 0.0982953 -0.2091067 -2.3709636 44 O -2.5492476 0.1529619 0.1730213 -0.1763863 -2.1729950 -0.3310205 -0.0381041 -0.2241451 -1.9394951 45 O -2.7589832 -0.0000000 0.0444257 0.0000000 -1.9078628 0.0000000 0.0830545 0.0000000 -1.4924163 46 O -2.5492476 -0.1529619 -0.1730213 0.1763863 -2.1729950 -0.3310205 0.0381041 -0.2241451 -1.9394951 47 O -1.8945702 0.5727179 0.3108608 0.5114100 -2.0544785 -0.1430131 0.3884397 -0.1332180 -1.9894368 48 O -2.5492476 0.1529619 -0.1730213 -0.1763863 -2.1729950 0.3310205 0.0381041 0.2241451 -1.9394951 49 O -2.0257792 -0.0164307 -0.4681546 -0.1053744 -2.1948950 -0.3999784 -0.5596780 -0.1715800 -2.1545673 50 O -1.8945702 -0.5727179 0.3108608 -0.5114100 -2.0544785 0.1430131 0.3884397 0.1332180 -1.9894368 51 O -2.5492476 0.1529619 0.1730213 -0.1763863 -2.1729950 -0.3310205 -0.0381041 -0.2241451 -1.9394951 52 O -2.0257792 -0.0164307 -0.4681546 -0.1053744 -2.1948950 -0.3999784 -0.5596780 -0.1715800 -2.1545673 53 O -2.0257792 0.0164307 0.4681546 0.1053744 -2.1948950 -0.3999784 0.5596780 -0.1715800 -2.1545673 54 O -1.9844320 0.1734776 0.1043958 0.2346046 -1.8661869 -0.1914574 0.0982953 -0.2091067 -2.3709636 55 O -2.0257792 0.0164307 -0.4681546 0.1053744 -2.1948950 0.3999784 -0.5596780 0.1715800 -2.1545673 56 O -1.8945702 -0.5727179 -0.3108608 -0.5114100 -2.0544785 -0.1430131 -0.3884397 -0.1332180 -1.9894368 57 O -1.8945702 0.5727179 -0.3108608 0.5114100 -2.0544785 0.1430131 -0.3884397 0.1332180 -1.9894368 58 O -2.7589832 -0.0000000 0.0444257 0.0000000 -1.9078628 0.0000000 0.0830545 0.0000000 -1.4924163 59 O -1.9844320 -0.1734776 0.1043958 -0.2346046 -1.8661869 0.1914574 0.0982953 0.2091067 -2.3709636 60 O -2.7589832 -0.0000000 -0.0444257 0.0000000 -1.9078628 0.0000000 -0.0830545 0.0000000 -1.4924163 ---------------------------------------------------------------------------- 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[ 3, 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, 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[ 51, 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[ 57, 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[ 61, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (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 17:01:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:01:47]------------------------- Compiled with OpenMP support (max 32 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.893933889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.711195160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.766353690000001 Atomic positions (fractional): 1 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 2 Al 0.50000000000000 0.85355958692283 0.25000000000000 26.982 3 Al 0.00000000000000 0.35355958692283 0.25000000000000 26.982 4 Al 0.50000000000000 0.14644041307717 0.75000000000000 26.982 5 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 6 Al 0.00000000000000 0.64644041307717 0.75000000000000 26.982 7 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 9 Si 0.71742763217777 0.58832117796970 0.25171448683979 28.085 10 Si 0.21742763217777 0.08832117796970 0.24828551316021 28.085 11 Si 0.28257236782223 0.41167882203030 0.74828551316021 28.085 12 Si 0.21742763217777 0.91167882203030 0.74828551316021 28.085 13 Si 0.71742763217777 0.41167882203030 0.75171448683979 28.085 14 Si 0.28257236782223 0.58832117796970 0.24828551316021 28.085 15 Si 0.78257236782223 0.91167882203030 0.75171448683979 28.085 16 Si 0.78257236782223 0.08832117796970 0.25171448683979 28.085 17 Pb 0.04717541580772 0.19542621383750 0.54868726168080 207.200 18 Pb 0.04717541580772 0.80457378616250 0.04868726168080 207.200 19 Pb 0.45282458419228 0.30457378616250 0.04868726168080 207.200 20 Pb 0.54717541580772 0.69542621383750 0.95131273831920 207.200 21 Pb 0.95282458419228 0.19542621383750 0.95131273831920 207.200 22 Pb 0.54717541580772 0.30457378616250 0.45131273831920 207.200 23 Pb 0.95282458419228 0.80457378616250 0.45131273831920 207.200 24 Pb 0.45282458419228 0.69542621383750 0.54868726168080 207.200 25 O 0.69179919588065 0.89334718706931 0.90510262577373 15.999 26 O 0.38789354520301 0.14150919110384 0.57723252506544 15.999 27 O 0.30820080411934 0.89334718706931 0.59489737422627 15.999 28 O 0.61210645479699 0.85849080889616 0.42276747493456 15.999 29 O 0.50000000000000 0.47877931907725 0.75000000000000 15.999 30 O 0.88789354520301 0.35849080889616 0.42276747493456 15.999 31 O 0.34893608359866 0.00809390123122 0.83671470964342 15.999 32 O 0.30820080411934 0.10665281293069 0.09489737422627 15.999 33 O 0.68451093932380 0.72673072681040 0.18285741457148 15.999 34 O 0.18451093932380 0.77326927318960 0.81714258542852 15.999 35 O 0.34893608359866 0.99190609876878 0.33671470964342 15.999 36 O 0.15106391640134 0.50809390123122 0.83671470964342 15.999 37 O 0.11210645479699 0.35849080889616 0.07723252506544 15.999 38 O 0.84893608359866 0.50809390123122 0.66328529035658 15.999 39 O 0.68451093932380 0.27326927318960 0.68285741457148 15.999 40 O 0.31548906067620 0.72673072681040 0.31714258542852 15.999 41 O 0.19179919588065 0.60665281293069 0.09489737422627 15.999 42 O 0.31548906067620 0.27326927318960 0.81714258542852 15.999 43 O 0.18451093932380 0.22673072681040 0.31714258542852 15.999 44 O 0.38789354520301 0.85849080889616 0.07723252506544 15.999 45 O 0.00000000000000 0.97877931907725 0.75000000000000 15.999 46 O 0.88789354520301 0.64150919110384 0.92276747493456 15.999 47 O 0.84893608359866 0.49190609876878 0.16328529035658 15.999 48 O 0.11210645479699 0.64150919110384 0.57723252506544 15.999 49 O 0.80820080411935 0.60665281293069 0.40510262577373 15.999 50 O 0.15106391640134 0.49190609876878 0.33671470964342 15.999 51 O 0.61210645479699 0.14150919110384 0.92276747493456 15.999 52 O 0.19179919588065 0.39334718706931 0.59489737422627 15.999 53 O 0.69179919588065 0.10665281293069 0.40510262577373 15.999 54 O 0.81548906067620 0.77326927318960 0.68285741457148 15.999 55 O 0.80820080411935 0.39334718706931 0.90510262577373 15.999 56 O 0.65106391640134 0.99190609876878 0.16328529035658 15.999 57 O 0.65106391640134 0.00809390123122 0.66328529035658 15.999 58 O 0.00000000000000 0.02122068092275 0.25000000000000 15.999 59 O 0.81548906067620 0.22673072681040 0.18285741457148 15.999 60 O 0.50000000000000 0.52122068092275 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.787867779999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.711195160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.766353690000001 Atomic positions (fractional): 1 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 1 2 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 1 3 Al 0.25000000000000 0.85355958692283 0.25000000000000 26.982 > 3 4 Al 0.75000000000000 0.85355958692283 0.25000000000000 26.982 > 3 5 Al 0.00000000000000 0.35355958692283 0.25000000000000 26.982 > 5 6 Al 0.50000000000000 0.35355958692283 0.25000000000000 26.982 > 5 7 Al 0.25000000000000 0.14644041307717 0.75000000000000 26.982 > 7 8 Al 0.75000000000000 0.14644041307717 0.75000000000000 26.982 > 7 9 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 9 10 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 9 11 Al 0.00000000000000 0.64644041307717 0.75000000000000 26.982 > 11 12 Al 0.50000000000000 0.64644041307717 0.75000000000000 26.982 > 11 13 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 13 14 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 13 15 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 15 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 15 17 Si 0.35871381608889 0.58832117796970 0.25171448683979 28.085 > 17 18 Si 0.85871381608889 0.58832117796970 0.25171448683979 28.085 > 17 19 Si 0.10871381608889 0.08832117796970 0.24828551316021 28.085 > 19 20 Si 0.60871381608889 0.08832117796970 0.24828551316021 28.085 > 19 21 Si 0.14128618391111 0.41167882203030 0.74828551316021 28.085 > 21 22 Si 0.64128618391111 0.41167882203030 0.74828551316021 28.085 > 21 23 Si 0.10871381608889 0.91167882203030 0.74828551316021 28.085 > 23 24 Si 0.60871381608889 0.91167882203030 0.74828551316021 28.085 > 23 25 Si 0.35871381608889 0.41167882203030 0.75171448683979 28.085 > 25 26 Si 0.85871381608889 0.41167882203030 0.75171448683979 28.085 > 25 27 Si 0.14128618391111 0.58832117796970 0.24828551316021 28.085 > 27 28 Si 0.64128618391111 0.58832117796970 0.24828551316021 28.085 > 27 29 Si 0.39128618391111 0.91167882203030 0.75171448683979 28.085 > 29 30 Si 0.89128618391111 0.91167882203030 0.75171448683979 28.085 > 29 31 Si 0.39128618391111 0.08832117796970 0.25171448683979 28.085 > 31 32 Si 0.89128618391111 0.08832117796970 0.25171448683979 28.085 > 31 33 Pb 0.02358770790386 0.19542621383750 0.54868726168080 207.200 > 33 34 Pb 0.52358770790386 0.19542621383750 0.54868726168080 207.200 > 33 35 Pb 0.02358770790386 0.80457378616250 0.04868726168080 207.200 > 35 36 Pb 0.52358770790386 0.80457378616250 0.04868726168080 207.200 > 35 37 Pb 0.22641229209614 0.30457378616250 0.04868726168080 207.200 > 37 38 Pb 0.72641229209614 0.30457378616250 0.04868726168080 207.200 > 37 39 Pb 0.27358770790386 0.69542621383750 0.95131273831920 207.200 > 39 40 Pb 0.77358770790386 0.69542621383750 0.95131273831920 207.200 > 39 41 Pb 0.47641229209614 0.19542621383750 0.95131273831920 207.200 > 41 42 Pb 0.97641229209614 0.19542621383750 0.95131273831920 207.200 > 41 43 Pb 0.27358770790386 0.30457378616250 0.45131273831920 207.200 > 43 44 Pb 0.77358770790386 0.30457378616250 0.45131273831920 207.200 > 43 45 Pb 0.47641229209614 0.80457378616250 0.45131273831920 207.200 > 45 46 Pb 0.97641229209614 0.80457378616250 0.45131273831920 207.200 > 45 47 Pb 0.22641229209614 0.69542621383750 0.54868726168080 207.200 > 47 48 Pb 0.72641229209614 0.69542621383750 0.54868726168080 207.200 > 47 49 O 0.34589959794033 0.89334718706931 0.90510262577373 15.999 > 49 50 O 0.84589959794033 0.89334718706931 0.90510262577373 15.999 > 49 51 O 0.19394677260151 0.14150919110384 0.57723252506544 15.999 > 51 52 O 0.69394677260151 0.14150919110384 0.57723252506544 15.999 > 51 53 O 0.15410040205967 0.89334718706931 0.59489737422627 15.999 > 53 54 O 0.65410040205967 0.89334718706931 0.59489737422627 15.999 > 53 55 O 0.30605322739849 0.85849080889616 0.42276747493456 15.999 > 55 56 O 0.80605322739849 0.85849080889616 0.42276747493456 15.999 > 55 57 O 0.25000000000000 0.47877931907725 0.75000000000000 15.999 > 57 58 O 0.75000000000000 0.47877931907725 0.75000000000000 15.999 > 57 59 O 0.44394677260151 0.35849080889616 0.42276747493456 15.999 > 59 60 O 0.94394677260151 0.35849080889616 0.42276747493456 15.999 > 59 61 O 0.17446804179933 0.00809390123122 0.83671470964342 15.999 > 61 62 O 0.67446804179933 0.00809390123122 0.83671470964342 15.999 > 61 63 O 0.15410040205967 0.10665281293069 0.09489737422627 15.999 > 63 64 O 0.65410040205967 0.10665281293069 0.09489737422627 15.999 > 63 65 O 0.34225546966190 0.72673072681040 0.18285741457148 15.999 > 65 66 O 0.84225546966190 0.72673072681040 0.18285741457148 15.999 > 65 67 O 0.09225546966190 0.77326927318960 0.81714258542852 15.999 > 67 68 O 0.59225546966190 0.77326927318960 0.81714258542852 15.999 > 67 69 O 0.17446804179933 0.99190609876878 0.33671470964342 15.999 > 69 70 O 0.67446804179933 0.99190609876878 0.33671470964342 15.999 > 69 71 O 0.07553195820067 0.50809390123122 0.83671470964342 15.999 > 71 72 O 0.57553195820067 0.50809390123122 0.83671470964342 15.999 > 71 73 O 0.05605322739849 0.35849080889616 0.07723252506544 15.999 > 73 74 O 0.55605322739849 0.35849080889616 0.07723252506544 15.999 > 73 75 O 0.42446804179933 0.50809390123122 0.66328529035658 15.999 > 75 76 O 0.92446804179933 0.50809390123122 0.66328529035658 15.999 > 75 77 O 0.34225546966190 0.27326927318960 0.68285741457148 15.999 > 77 78 O 0.84225546966190 0.27326927318960 0.68285741457148 15.999 > 77 79 O 0.15774453033810 0.72673072681040 0.31714258542852 15.999 > 79 80 O 0.65774453033810 0.72673072681040 0.31714258542852 15.999 > 79 81 O 0.09589959794033 0.60665281293069 0.09489737422627 15.999 > 81 82 O 0.59589959794033 0.60665281293069 0.09489737422627 15.999 > 81 83 O 0.15774453033810 0.27326927318960 0.81714258542852 15.999 > 83 84 O 0.65774453033810 0.27326927318960 0.81714258542852 15.999 > 83 85 O 0.09225546966190 0.22673072681040 0.31714258542852 15.999 > 85 86 O 0.59225546966190 0.22673072681040 0.31714258542852 15.999 > 85 87 O 0.19394677260151 0.85849080889616 0.07723252506544 15.999 > 87 88 O 0.69394677260151 0.85849080889616 0.07723252506544 15.999 > 87 89 O 0.00000000000000 0.97877931907725 0.75000000000000 15.999 > 89 90 O 0.50000000000000 0.97877931907725 0.75000000000000 15.999 > 89 91 O 0.44394677260151 0.64150919110384 0.92276747493456 15.999 > 91 92 O 0.94394677260151 0.64150919110384 0.92276747493456 15.999 > 91 93 O 0.42446804179933 0.49190609876878 0.16328529035658 15.999 > 93 94 O 0.92446804179933 0.49190609876878 0.16328529035658 15.999 > 93 95 O 0.05605322739849 0.64150919110384 0.57723252506544 15.999 > 95 96 O 0.55605322739849 0.64150919110384 0.57723252506544 15.999 > 95 97 O 0.40410040205967 0.60665281293069 0.40510262577373 15.999 > 97 98 O 0.90410040205967 0.60665281293069 0.40510262577373 15.999 > 97 99 O 0.07553195820067 0.49190609876878 0.33671470964342 15.999 > 99 100 O 0.57553195820067 0.49190609876878 0.33671470964342 15.999 > 99 101 O 0.30605322739849 0.14150919110384 0.92276747493456 15.999 > 101 102 O 0.80605322739849 0.14150919110384 0.92276747493456 15.999 > 101 103 O 0.09589959794033 0.39334718706931 0.59489737422627 15.999 > 103 104 O 0.59589959794033 0.39334718706931 0.59489737422627 15.999 > 103 105 O 0.34589959794033 0.10665281293069 0.40510262577373 15.999 > 105 106 O 0.84589959794033 0.10665281293069 0.40510262577373 15.999 > 105 107 O 0.40774453033810 0.77326927318960 0.68285741457148 15.999 > 107 108 O 0.90774453033810 0.77326927318960 0.68285741457148 15.999 > 107 109 O 0.40410040205967 0.39334718706931 0.90510262577373 15.999 > 109 110 O 0.90410040205967 0.39334718706931 0.90510262577373 15.999 > 109 111 O 0.32553195820067 0.99190609876878 0.16328529035658 15.999 > 111 112 O 0.82553195820067 0.99190609876878 0.16328529035658 15.999 > 111 113 O 0.32553195820067 0.00809390123122 0.66328529035658 15.999 > 113 114 O 0.82553195820067 0.00809390123122 0.66328529035658 15.999 > 113 115 O 0.00000000000000 0.02122068092275 0.25000000000000 15.999 > 115 116 O 0.50000000000000 0.02122068092275 0.25000000000000 15.999 > 115 117 O 0.40774453033810 0.22673072681040 0.18285741457148 15.999 > 117 118 O 0.90774453033810 0.22673072681040 0.18285741457148 15.999 > 117 119 O 0.25000000000000 0.52122068092275 0.25000000000000 15.999 > 119 120 O 0.75000000000000 0.52122068092275 0.25000000000000 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1742169 0.0000000 0.0000000 0.0000000 4.0014355 0.0000000 0.0000000 0.0000000 4.0277559 -------------------------- Born effective charges -------------------------- 1 Al 2.7842110 0.1007664 -0.1024719 0.0551215 3.5474544 -0.0934206 0.1244435 -0.1911710 3.0267976 2 Al 2.6969048 -0.0000000 -0.0391069 0.0000000 3.2959163 0.0000000 -0.0772003 0.0000000 3.3320562 3 Al 2.6969048 -0.0000000 0.0391069 0.0000000 3.2959163 0.0000000 0.0772003 0.0000000 3.3320562 4 Al 2.6969048 -0.0000000 -0.0391069 0.0000000 3.2959163 0.0000000 -0.0772003 0.0000000 3.3320562 5 Al 2.7842110 -0.1007664 0.1024719 -0.0551215 3.5474544 -0.0934206 -0.1244435 -0.1911710 3.0267976 6 Al 2.6969048 -0.0000000 0.0391069 0.0000000 3.2959163 0.0000000 0.0772003 0.0000000 3.3320562 7 Al 2.7842110 -0.1007664 -0.1024719 -0.0551215 3.5474544 0.0934206 0.1244435 0.1911710 3.0267976 8 Al 2.7842110 0.1007664 0.1024719 0.0551215 3.5474544 0.0934206 -0.1244435 0.1911710 3.0267976 9 Si 3.2588873 -0.1888599 0.1161370 -0.0777422 3.1283772 0.4085866 0.2403106 -0.3958670 3.3495951 10 Si 3.2588873 -0.1888599 -0.1161370 -0.0777422 3.1283772 -0.4085866 -0.2403106 0.3958670 3.3495951 11 Si 3.2588873 -0.1888599 0.1161370 -0.0777422 3.1283772 0.4085866 0.2403106 -0.3958670 3.3495951 12 Si 3.2588873 0.1888599 -0.1161370 0.0777422 3.1283772 0.4085866 -0.2403106 -0.3958670 3.3495951 13 Si 3.2588873 0.1888599 0.1161370 0.0777422 3.1283772 -0.4085866 0.2403106 0.3958670 3.3495951 14 Si 3.2588873 0.1888599 0.1161370 0.0777422 3.1283772 -0.4085866 0.2403106 0.3958670 3.3495951 15 Si 3.2588873 -0.1888599 -0.1161370 -0.0777422 3.1283772 -0.4085866 -0.2403106 0.3958670 3.3495951 16 Si 3.2588873 0.1888599 -0.1161370 0.0777422 3.1283772 0.4085866 -0.2403106 -0.3958670 3.3495951 17 Pb 3.8340755 -0.2670753 0.2862778 -0.1833203 2.6924241 -0.2660538 0.2025835 -0.2617724 2.6716488 18 Pb 3.8340755 0.2670753 0.2862778 0.1833203 2.6924241 0.2660538 0.2025835 0.2617724 2.6716488 19 Pb 3.8340755 -0.2670753 -0.2862778 -0.1833203 2.6924241 0.2660538 -0.2025835 0.2617724 2.6716488 20 Pb 3.8340755 -0.2670753 -0.2862778 -0.1833203 2.6924241 0.2660538 -0.2025835 0.2617724 2.6716488 21 Pb 3.8340755 0.2670753 0.2862778 0.1833203 2.6924241 0.2660538 0.2025835 0.2617724 2.6716488 22 Pb 3.8340755 0.2670753 -0.2862778 0.1833203 2.6924241 -0.2660538 -0.2025835 -0.2617724 2.6716488 23 Pb 3.8340755 -0.2670753 0.2862778 -0.1833203 2.6924241 -0.2660538 0.2025835 -0.2617724 2.6716488 24 Pb 3.8340755 0.2670753 -0.2862778 0.1833203 2.6924241 -0.2660538 -0.2025835 -0.2617724 2.6716488 25 O -2.0257792 -0.0164307 0.4681546 -0.1053744 -2.1948950 0.3999784 0.5596780 0.1715800 -2.1545673 26 O -2.5492476 -0.1529619 0.1730213 0.1763863 -2.1729950 0.3310205 -0.0381041 0.2241451 -1.9394951 27 O -2.0257792 0.0164307 0.4681546 0.1053744 -2.1948950 -0.3999784 0.5596780 -0.1715800 -2.1545673 28 O -2.5492476 -0.1529619 0.1730213 0.1763863 -2.1729950 0.3310205 -0.0381041 0.2241451 -1.9394951 29 O -2.7589832 -0.0000000 -0.0444257 0.0000000 -1.9078628 0.0000000 -0.0830545 0.0000000 -1.4924163 30 O -2.5492476 0.1529619 -0.1730213 -0.1763863 -2.1729950 0.3310205 0.0381041 0.2241451 -1.9394951 31 O -1.8945702 -0.5727179 -0.3108608 -0.5114100 -2.0544785 -0.1430131 -0.3884397 -0.1332180 -1.9894368 32 O -2.0257792 -0.0164307 0.4681546 -0.1053744 -2.1948950 0.3999784 0.5596780 0.1715800 -2.1545673 33 O -1.9844320 0.1734776 -0.1043958 0.2346046 -1.8661869 0.1914574 -0.0982953 0.2091067 -2.3709636 34 O -1.9844320 -0.1734776 0.1043958 -0.2346046 -1.8661869 0.1914574 0.0982953 0.2091067 -2.3709636 35 O -1.8945702 0.5727179 -0.3108608 0.5114100 -2.0544785 0.1430131 -0.3884397 0.1332180 -1.9894368 36 O -1.8945702 0.5727179 0.3108608 0.5114100 -2.0544785 -0.1430131 0.3884397 -0.1332180 -1.9894368 37 O -2.5492476 -0.1529619 -0.1730213 0.1763863 -2.1729950 -0.3310205 0.0381041 -0.2241451 -1.9394951 38 O -1.8945702 -0.5727179 0.3108608 -0.5114100 -2.0544785 0.1430131 0.3884397 0.1332180 -1.9894368 39 O -1.9844320 -0.1734776 -0.1043958 -0.2346046 -1.8661869 -0.1914574 -0.0982953 -0.2091067 -2.3709636 40 O -1.9844320 -0.1734776 -0.1043958 -0.2346046 -1.8661869 -0.1914574 -0.0982953 -0.2091067 -2.3709636 41 O -2.0257792 0.0164307 -0.4681546 0.1053744 -2.1948950 0.3999784 -0.5596780 0.1715800 -2.1545673 42 O -1.9844320 0.1734776 -0.1043958 0.2346046 -1.8661869 0.1914574 -0.0982953 0.2091067 -2.3709636 43 O -1.9844320 0.1734776 0.1043958 0.2346046 -1.8661869 -0.1914574 0.0982953 -0.2091067 -2.3709636 44 O -2.5492476 0.1529619 0.1730213 -0.1763863 -2.1729950 -0.3310205 -0.0381041 -0.2241451 -1.9394951 45 O -2.7589832 -0.0000000 0.0444257 0.0000000 -1.9078628 0.0000000 0.0830545 0.0000000 -1.4924163 46 O -2.5492476 -0.1529619 -0.1730213 0.1763863 -2.1729950 -0.3310205 0.0381041 -0.2241451 -1.9394951 47 O -1.8945702 0.5727179 0.3108608 0.5114100 -2.0544785 -0.1430131 0.3884397 -0.1332180 -1.9894368 48 O -2.5492476 0.1529619 -0.1730213 -0.1763863 -2.1729950 0.3310205 0.0381041 0.2241451 -1.9394951 49 O -2.0257792 -0.0164307 -0.4681546 -0.1053744 -2.1948950 -0.3999784 -0.5596780 -0.1715800 -2.1545673 50 O -1.8945702 -0.5727179 0.3108608 -0.5114100 -2.0544785 0.1430131 0.3884397 0.1332180 -1.9894368 51 O -2.5492476 0.1529619 0.1730213 -0.1763863 -2.1729950 -0.3310205 -0.0381041 -0.2241451 -1.9394951 52 O -2.0257792 -0.0164307 -0.4681546 -0.1053744 -2.1948950 -0.3999784 -0.5596780 -0.1715800 -2.1545673 53 O -2.0257792 0.0164307 0.4681546 0.1053744 -2.1948950 -0.3999784 0.5596780 -0.1715800 -2.1545673 54 O -1.9844320 0.1734776 0.1043958 0.2346046 -1.8661869 -0.1914574 0.0982953 -0.2091067 -2.3709636 55 O -2.0257792 0.0164307 -0.4681546 0.1053744 -2.1948950 0.3999784 -0.5596780 0.1715800 -2.1545673 56 O -1.8945702 -0.5727179 -0.3108608 -0.5114100 -2.0544785 -0.1430131 -0.3884397 -0.1332180 -1.9894368 57 O -1.8945702 0.5727179 -0.3108608 0.5114100 -2.0544785 0.1430131 -0.3884397 0.1332180 -1.9894368 58 O -2.7589832 -0.0000000 0.0444257 0.0000000 -1.9078628 0.0000000 0.0830545 0.0000000 -1.4924163 59 O -1.9844320 -0.1734776 0.1043958 -0.2346046 -1.8661869 0.1914574 0.0982953 0.2091067 -2.3709636 60 O -2.7589832 -0.0000000 -0.0444257 0.0000000 -1.9078628 0.0000000 -0.0830545 0.0000000 -1.4924163 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 5 ] 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: 0.46, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.520 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.989 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.853 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.048 ( 0.000 0.000 0.000) 0.000 8.270 ( 0.000 0.000 0.000) 0.000 8.428 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 8.945 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.605 ( 0.000 0.000 0.000) 0.000 9.796 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 9.968 ( 0.000 0.000 0.000) 0.000 9.969 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 10.675 ( 0.000 0.000 0.000) 0.000 10.691 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.945 ( 0.000 0.000 0.000) 0.000 10.973 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.213 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 0.000) 0.000 11.368 ( 0.000 0.000 0.000) 0.000 11.504 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 11.636 ( 0.000 0.000 0.000) 0.000 11.679 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 11.879 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.088 ( 0.000 0.000 0.000) 0.000 12.220 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 0.000 0.000) 0.000 12.380 ( 0.000 0.000 0.000) 0.000 12.384 ( 0.000 0.000 0.000) 0.000 12.614 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 12.897 ( 0.000 0.000 0.000) 0.000 12.907 ( 0.000 0.000 0.000) 0.000 12.929 ( 0.000 0.000 0.000) 0.000 12.973 ( 0.000 0.000 0.000) 0.000 13.260 ( 0.000 0.000 0.000) 0.000 13.272 ( 0.000 0.000 0.000) 0.000 13.410 ( 0.000 0.000 0.000) 0.000 13.501 ( 0.000 0.000 0.000) 0.000 13.620 ( 0.000 0.000 0.000) 0.000 14.111 ( 0.000 0.000 0.000) 0.000 14.244 ( 0.000 0.000 0.000) 0.000 14.273 ( 0.000 0.000 0.000) 0.000 14.335 ( 0.000 0.000 0.000) 0.000 14.664 ( 0.000 0.000 0.000) 0.000 14.717 ( 0.000 0.000 0.000) 0.000 14.938 ( 0.000 0.000 0.000) 0.000 15.116 ( 0.000 0.000 0.000) 0.000 15.157 ( 0.000 0.000 0.000) 0.000 15.305 ( 0.000 0.000 0.000) 0.000 15.352 ( 0.000 0.000 0.000) 0.000 15.493 ( 0.000 0.000 0.000) 0.000 15.691 ( 0.000 0.000 0.000) 0.000 15.753 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000 16.333 ( 0.000 0.000 0.000) 0.000 16.340 ( 0.000 0.000 0.000) 0.000 16.424 ( 0.000 0.000 0.000) 0.000 16.638 ( 0.000 0.000 0.000) 0.000 16.665 ( 0.000 0.000 0.000) 0.000 16.682 ( 0.000 0.000 0.000) 0.000 16.723 ( 0.000 0.000 0.000) 0.000 17.211 ( 0.000 0.000 0.000) 0.000 17.522 ( 0.000 0.000 0.000) 0.000 17.548 ( 0.000 0.000 0.000) 0.000 17.587 ( 0.000 0.000 0.000) 0.000 17.761 ( 0.000 0.000 0.000) 0.000 17.967 ( 0.000 0.000 0.000) 0.000 18.373 ( 0.000 0.000 0.000) 0.000 18.520 ( 0.000 0.000 0.000) 0.000 18.554 ( 0.000 0.000 0.000) 0.000 18.705 ( 0.000 0.000 0.000) 0.000 19.287 ( 0.000 0.000 0.000) 0.000 19.504 ( 0.000 0.000 0.000) 0.000 19.529 ( 0.000 0.000 0.000) 0.000 19.646 ( 0.000 0.000 0.000) 0.000 20.410 ( 0.000 0.000 0.000) 0.000 20.516 ( 0.000 0.000 0.000) 0.000 20.539 ( 0.000 0.000 0.000) 0.000 21.495 ( 0.000 0.000 0.000) 0.000 24.871 ( 0.000 0.000 0.000) 0.000 25.003 ( 0.000 0.000 0.000) 0.000 25.114 ( 0.000 0.000 0.000) 0.000 25.309 ( 0.000 0.000 0.000) 0.000 26.374 ( 0.000 0.000 0.000) 0.000 26.431 ( 0.000 0.000 0.000) 0.000 26.466 ( 0.000 0.000 0.000) 0.000 26.732 ( 0.000 0.000 0.000) 0.000 26.745 ( 0.000 0.000 0.000) 0.000 26.778 ( 0.000 0.000 0.000) 0.000 27.095 ( 0.000 0.000 0.000) 0.000 27.275 ( 0.000 0.000 0.000) 0.000 27.281 ( 0.000 0.000 0.000) 0.000 27.358 ( 0.000 0.000 0.000) 0.000 27.419 ( 0.000 0.000 0.000) 0.000 27.460 ( 0.000 0.000 0.000) 0.000 28.313 ( 0.000 0.000 0.000) 0.000 28.469 ( 0.000 0.000 0.000) 0.000 28.575 ( 0.000 0.000 0.000) 0.000 28.660 ( 0.000 0.000 0.000) 0.000 29.205 ( 0.000 0.000 0.000) 0.000 29.237 ( 0.000 0.000 0.000) 0.000 29.260 ( 0.000 0.000 0.000) 0.000 29.267 ( 0.000 0.000 0.000) 0.000 29.908 ( 0.000 0.000 0.000) 0.000 30.053 ( 0.000 0.000 0.000) 0.000 30.476 ( 0.000 0.000 0.000) 0.000 30.539 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 29.185 0.000 0.000) 29.185 0.633 ( 29.102 0.000 0.000) 29.102 0.862 ( 27.848 0.000 0.000) 27.848 1.266 ( 8.303 0.000 0.000) 8.303 1.396 ( 9.549 0.000 0.000) 9.549 1.510 ( 15.332 0.000 0.000) 15.332 1.605 ( 11.059 0.000 0.000) 11.059 1.793 ( 2.217 0.000 0.000) 2.217 1.879 ( 0.629 0.000 0.000) 0.629 1.954 ( 0.876 0.000 0.000) 0.876 1.990 ( 2.018 0.000 0.000) 2.018 2.060 ( -0.037 0.000 0.000) 0.037 2.315 ( -4.632 0.000 0.000) 4.632 2.379 ( 0.234 0.000 0.000) 0.234 2.421 ( -10.693 0.000 0.000) 10.693 2.573 ( 0.211 0.000 0.000) 0.211 2.586 ( -5.774 0.000 0.000) 5.774 2.618 ( -6.476 0.000 0.000) 6.476 2.635 ( 4.213 0.000 0.000) 4.213 2.759 ( -0.222 0.000 0.000) 0.222 2.770 ( -6.069 0.000 0.000) 6.069 2.866 ( 1.770 0.000 0.000) 1.770 2.877 ( 2.516 0.000 0.000) 2.516 3.297 ( 3.001 0.000 0.000) 3.001 3.737 ( 4.046 0.000 0.000) 4.046 3.771 ( -2.837 0.000 0.000) 2.837 3.808 ( 5.262 0.000 0.000) 5.262 4.161 ( 22.654 0.000 0.000) 22.654 4.175 ( -27.669 0.000 0.000) 27.669 4.187 ( 31.244 0.000 0.000) 31.244 4.284 ( 3.412 0.000 0.000) 3.412 4.441 ( -2.087 0.000 0.000) 2.087 4.567 ( 16.524 0.000 0.000) 16.524 4.582 ( 14.111 0.000 0.000) 14.111 5.089 ( -10.559 0.000 0.000) 10.559 5.144 ( 2.796 0.000 0.000) 2.796 5.151 ( 10.722 0.000 0.000) 10.722 5.657 ( 13.627 0.000 0.000) 13.627 5.725 ( -9.010 0.000 0.000) 9.010 5.823 ( 2.570 0.000 0.000) 2.570 5.948 ( -0.856 0.000 0.000) 0.856 6.250 ( -4.160 0.000 0.000) 4.160 6.379 ( -2.055 0.000 0.000) 2.055 6.707 ( 14.949 0.000 0.000) 14.949 6.741 ( -5.702 0.000 0.000) 5.702 6.745 ( 1.730 0.000 0.000) 1.730 6.804 ( 23.127 0.000 0.000) 23.127 7.064 ( -21.702 0.000 0.000) 21.702 7.224 ( 9.144 0.000 0.000) 9.144 7.259 ( -6.875 0.000 0.000) 6.875 7.485 ( -3.042 0.000 0.000) 3.042 7.538 ( 1.713 0.000 0.000) 1.713 7.841 ( 4.038 0.000 0.000) 4.038 7.888 ( -3.935 0.000 0.000) 3.935 7.926 ( 4.173 0.000 0.000) 4.173 7.974 ( 0.031 0.000 0.000) 0.031 8.144 ( 17.431 0.000 0.000) 17.431 8.154 ( -12.042 0.000 0.000) 12.042 8.157 ( 10.752 0.000 0.000) 10.752 8.490 ( -1.194 0.000 0.000) 1.194 8.546 ( 7.660 0.000 0.000) 7.660 8.745 ( -2.796 0.000 0.000) 2.796 8.968 ( -2.962 0.000 0.000) 2.962 8.983 ( -1.833 0.000 0.000) 1.833 9.093 ( -2.149 0.000 0.000) 2.149 9.168 ( -5.226 0.000 0.000) 5.226 9.368 ( 0.773 0.000 0.000) 0.773 9.490 ( -2.648 0.000 0.000) 2.648 9.538 ( -1.186 0.000 0.000) 1.186 9.770 ( 14.220 0.000 0.000) 14.220 9.779 ( -0.713 0.000 0.000) 0.713 9.886 ( 3.990 0.000 0.000) 3.990 9.978 ( 3.229 0.000 0.000) 3.229 10.007 ( 3.755 0.000 0.000) 3.755 10.084 ( -2.682 0.000 0.000) 2.682 10.087 ( -6.171 0.000 0.000) 6.171 10.304 ( -2.364 0.000 0.000) 2.364 10.607 ( -19.925 0.000 0.000) 19.925 10.634 ( -0.465 0.000 0.000) 0.465 10.648 ( -7.742 0.000 0.000) 7.742 10.861 ( -2.091 0.000 0.000) 2.091 10.943 ( -11.333 0.000 0.000) 11.333 11.036 ( 2.046 0.000 0.000) 2.046 11.064 ( -10.235 0.000 0.000) 10.235 11.097 ( -1.458 0.000 0.000) 1.458 11.245 ( 4.522 0.000 0.000) 4.522 11.309 ( -2.426 0.000 0.000) 2.426 11.317 ( -2.868 0.000 0.000) 2.868 11.451 ( -2.730 0.000 0.000) 2.730 11.577 ( -2.664 0.000 0.000) 2.664 11.673 ( -0.043 0.000 0.000) 0.043 11.709 ( 3.121 0.000 0.000) 3.121 11.877 ( 5.109 0.000 0.000) 5.109 11.925 ( -1.607 0.000 0.000) 1.607 11.987 ( -1.141 0.000 0.000) 1.141 11.991 ( -17.768 0.000 0.000) 17.768 12.059 ( -16.900 0.000 0.000) 16.900 12.152 ( 12.027 0.000 0.000) 12.027 12.211 ( -13.837 0.000 0.000) 13.837 12.396 ( -0.266 0.000 0.000) 0.266 12.496 ( -11.153 0.000 0.000) 11.153 12.513 ( -8.048 0.000 0.000) 8.048 12.732 ( 3.381 0.000 0.000) 3.381 12.873 ( -1.676 0.000 0.000) 1.676 13.015 ( 6.622 0.000 0.000) 6.622 13.395 ( 10.432 0.000 0.000) 10.432 13.404 ( -4.101 0.000 0.000) 4.101 13.452 ( 16.246 0.000 0.000) 16.246 13.532 ( 8.708 0.000 0.000) 8.708 13.657 ( 3.789 0.000 0.000) 3.789 13.704 ( 31.786 0.000 0.000) 31.786 13.788 ( 15.879 0.000 0.000) 15.879 13.940 ( -6.978 0.000 0.000) 6.978 14.169 ( -7.780 0.000 0.000) 7.780 14.310 ( -2.322 0.000 0.000) 2.322 14.526 ( 18.178 0.000 0.000) 18.178 14.631 ( -5.641 0.000 0.000) 5.641 14.855 ( -14.781 0.000 0.000) 14.781 15.014 ( 4.099 0.000 0.000) 4.099 15.075 ( -1.874 0.000 0.000) 1.874 15.114 ( -13.290 0.000 0.000) 13.290 15.488 ( -0.036 0.000 0.000) 0.036 15.656 ( 18.649 0.000 0.000) 18.649 15.868 ( 15.093 0.000 0.000) 15.093 15.925 ( 11.816 0.000 0.000) 11.816 16.058 ( -12.547 0.000 0.000) 12.547 16.098 ( -13.324 0.000 0.000) 13.324 16.298 ( -9.760 0.000 0.000) 9.760 16.358 ( -3.337 0.000 0.000) 3.337 16.593 ( 10.146 0.000 0.000) 10.146 16.635 ( -0.293 0.000 0.000) 0.293 16.731 ( 4.300 0.000 0.000) 4.300 16.790 ( 6.039 0.000 0.000) 6.039 16.975 ( -2.000 0.000 0.000) 2.000 17.226 ( 0.531 0.000 0.000) 0.531 17.496 ( -2.596 0.000 0.000) 2.596 17.515 ( -2.076 0.000 0.000) 2.076 17.608 ( 1.999 0.000 0.000) 1.999 17.729 ( -2.821 0.000 0.000) 2.821 17.957 ( -1.139 0.000 0.000) 1.139 18.442 ( 4.980 0.000 0.000) 4.980 18.514 ( -0.652 0.000 0.000) 0.652 18.587 ( 4.501 0.000 0.000) 4.501 18.703 ( -0.121 0.000 0.000) 0.121 19.256 ( -2.826 0.000 0.000) 2.826 19.314 ( -12.100 0.000 0.000) 12.100 19.578 ( -0.983 0.000 0.000) 0.983 20.220 ( -9.905 0.000 0.000) 9.905 20.419 ( -0.788 0.000 0.000) 0.788 20.457 ( -6.776 0.000 0.000) 6.776 20.480 ( -3.163 0.000 0.000) 3.163 21.325 ( -15.247 0.000 0.000) 15.247 24.903 ( 2.882 0.000 0.000) 2.882 25.013 ( 0.861 0.000 0.000) 0.861 25.295 ( -1.245 0.000 0.000) 1.245 25.396 ( -2.334 0.000 0.000) 2.334 26.392 ( 1.631 0.000 0.000) 1.631 26.435 ( 0.407 0.000 0.000) 0.407 26.456 ( -0.717 0.000 0.000) 0.717 26.726 ( -0.530 0.000 0.000) 0.530 26.741 ( -0.175 0.000 0.000) 0.175 26.747 ( -2.880 0.000 0.000) 2.880 27.015 ( -6.060 0.000 0.000) 6.060 27.283 ( -6.005 0.000 0.000) 6.005 27.300 ( 2.281 0.000 0.000) 2.281 27.339 ( 3.699 0.000 0.000) 3.699 27.451 ( 2.906 0.000 0.000) 2.906 27.511 ( 3.563 0.000 0.000) 3.563 28.421 ( 9.725 0.000 0.000) 9.725 28.580 ( 9.781 0.000 0.000) 9.781 28.657 ( 7.344 0.000 0.000) 7.344 29.202 ( -0.278 0.000 0.000) 0.278 29.218 ( -2.480 0.000 0.000) 2.480 29.244 ( 0.871 0.000 0.000) 0.871 29.276 ( -0.259 0.000 0.000) 0.259 29.907 ( -0.032 0.000 0.000) 0.032 30.047 ( -0.498 0.000 0.000) 0.498 30.178 ( -1.160 0.000 0.000) 1.160 30.324 ( -12.686 0.000 0.000) 12.686 30.479 ( -6.525 0.000 0.000) 6.525 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 22.166 0.000 0.000) 22.166 1.183 ( 24.209 0.000 0.000) 24.209 1.246 ( 13.555 0.000 0.000) 13.555 1.481 ( 11.215 0.000 0.000) 11.215 1.617 ( 10.525 0.000 0.000) 10.525 1.667 ( 5.816 0.000 0.000) 5.816 1.851 ( 3.120 0.000 0.000) 3.120 1.899 ( 1.072 0.000 0.000) 1.072 1.974 ( 1.198 0.000 0.000) 1.198 1.980 ( -3.576 0.000 0.000) 3.576 1.990 ( 14.062 0.000 0.000) 14.062 2.060 ( 0.976 0.000 0.000) 0.976 2.178 ( -12.208 0.000 0.000) 12.208 2.205 ( -5.594 0.000 0.000) 5.594 2.385 ( 0.578 0.000 0.000) 0.578 2.409 ( -10.287 0.000 0.000) 10.287 2.492 ( -5.101 0.000 0.000) 5.101 2.579 ( 0.390 0.000 0.000) 0.390 2.605 ( -8.922 0.000 0.000) 8.922 2.731 ( 4.596 0.000 0.000) 4.596 2.732 ( -2.706 0.000 0.000) 2.706 2.879 ( -0.374 0.000 0.000) 0.374 2.978 ( 7.154 0.000 0.000) 7.154 3.338 ( 0.206 0.000 0.000) 0.206 3.664 ( -19.076 0.000 0.000) 19.076 3.729 ( -5.971 0.000 0.000) 5.971 3.782 ( 4.861 0.000 0.000) 4.861 3.950 ( 8.619 0.000 0.000) 8.619 4.409 ( -0.509 0.000 0.000) 0.509 4.411 ( 8.740 0.000 0.000) 8.740 4.701 ( -10.983 0.000 0.000) 10.983 4.814 ( 3.399 0.000 0.000) 3.399 4.861 ( 32.352 0.000 0.000) 32.352 4.927 ( 25.403 0.000 0.000) 25.403 5.103 ( 37.642 0.000 0.000) 37.642 5.247 ( 6.404 0.000 0.000) 6.404 5.436 ( 14.270 0.000 0.000) 14.270 5.503 ( -10.208 0.000 0.000) 10.208 5.786 ( -1.828 0.000 0.000) 1.828 5.971 ( 6.502 0.000 0.000) 6.502 5.971 ( 11.393 0.000 0.000) 11.393 6.131 ( -7.228 0.000 0.000) 7.228 6.439 ( 9.040 0.000 0.000) 9.040 6.593 ( -8.493 0.000 0.000) 8.493 6.712 ( -10.536 0.000 0.000) 10.536 6.865 ( 9.332 0.000 0.000) 9.332 7.000 ( 5.688 0.000 0.000) 5.688 7.100 ( -1.648 0.000 0.000) 1.648 7.241 ( 13.507 0.000 0.000) 13.507 7.366 ( -9.172 0.000 0.000) 9.172 7.491 ( 13.726 0.000 0.000) 13.726 7.559 ( 0.064 0.000 0.000) 0.064 7.833 ( -16.132 0.000 0.000) 16.132 7.875 ( -9.166 0.000 0.000) 9.166 7.906 ( 9.556 0.000 0.000) 9.556 7.911 ( -0.898 0.000 0.000) 0.898 8.060 ( 10.253 0.000 0.000) 10.253 8.416 ( 11.202 0.000 0.000) 11.202 8.429 ( 7.385 0.000 0.000) 7.385 8.448 ( -2.707 0.000 0.000) 2.707 8.603 ( -1.211 0.000 0.000) 1.211 8.802 ( 7.741 0.000 0.000) 7.741 8.897 ( -4.485 0.000 0.000) 4.485 9.012 ( -8.483 0.000 0.000) 8.483 9.052 ( 7.184 0.000 0.000) 7.184 9.087 ( 2.047 0.000 0.000) 2.047 9.327 ( -2.609 0.000 0.000) 2.609 9.347 ( -13.117 0.000 0.000) 13.117 9.376 ( -7.612 0.000 0.000) 7.612 9.803 ( 0.020 0.000 0.000) 0.020 9.862 ( -1.394 0.000 0.000) 1.394 9.942 ( -1.178 0.000 0.000) 1.178 9.943 ( -8.116 0.000 0.000) 8.116 10.089 ( 3.154 0.000 0.000) 3.154 10.093 ( 6.159 0.000 0.000) 6.159 10.117 ( -10.043 0.000 0.000) 10.043 10.299 ( 20.233 0.000 0.000) 20.233 10.369 ( -5.569 0.000 0.000) 5.569 10.448 ( -10.156 0.000 0.000) 10.156 10.636 ( -16.884 0.000 0.000) 16.884 10.674 ( -13.709 0.000 0.000) 13.709 10.782 ( 13.056 0.000 0.000) 13.056 10.848 ( -9.219 0.000 0.000) 9.219 11.046 ( -1.735 0.000 0.000) 1.735 11.070 ( 0.588 0.000 0.000) 0.588 11.260 ( -1.662 0.000 0.000) 1.662 11.303 ( 2.572 0.000 0.000) 2.572 11.370 ( 5.767 0.000 0.000) 5.767 11.395 ( -2.563 0.000 0.000) 2.563 11.396 ( -13.939 0.000 0.000) 13.939 11.567 ( -10.933 0.000 0.000) 10.933 11.698 ( -8.048 0.000 0.000) 8.048 11.730 ( -13.172 0.000 0.000) 13.172 11.820 ( 5.996 0.000 0.000) 5.996 11.835 ( -6.758 0.000 0.000) 6.758 11.849 ( -1.976 0.000 0.000) 1.976 11.968 ( -7.690 0.000 0.000) 7.690 12.091 ( 8.025 0.000 0.000) 8.025 12.274 ( -6.924 0.000 0.000) 6.924 12.328 ( -6.017 0.000 0.000) 6.017 12.359 ( -3.220 0.000 0.000) 3.220 12.420 ( 2.449 0.000 0.000) 2.449 12.805 ( 3.250 0.000 0.000) 3.250 12.846 ( -0.699 0.000 0.000) 0.699 13.147 ( 5.151 0.000 0.000) 5.151 13.289 ( -4.847 0.000 0.000) 4.847 13.657 ( 13.531 0.000 0.000) 13.531 13.735 ( 0.742 0.000 0.000) 0.742 13.755 ( 13.008 0.000 0.000) 13.008 13.790 ( -5.251 0.000 0.000) 5.251 13.814 ( 15.860 0.000 0.000) 15.860 14.084 ( 3.252 0.000 0.000) 3.252 14.141 ( 15.445 0.000 0.000) 15.445 14.254 ( -2.297 0.000 0.000) 2.297 14.264 ( 16.203 0.000 0.000) 16.203 14.525 ( -4.793 0.000 0.000) 4.793 14.610 ( -7.801 0.000 0.000) 7.801 14.776 ( -6.027 0.000 0.000) 6.027 15.018 ( -3.489 0.000 0.000) 3.489 15.029 ( -3.018 0.000 0.000) 3.018 15.044 ( 19.062 0.000 0.000) 19.062 15.514 ( 2.142 0.000 0.000) 2.142 15.799 ( -14.134 0.000 0.000) 14.134 15.853 ( -5.817 0.000 0.000) 5.817 15.973 ( 4.759 0.000 0.000) 4.759 16.104 ( -1.354 0.000 0.000) 1.354 16.151 ( 9.314 0.000 0.000) 9.314 16.235 ( 17.383 0.000 0.000) 17.383 16.236 ( -7.767 0.000 0.000) 7.767 16.626 ( -0.656 0.000 0.000) 0.656 16.741 ( 4.412 0.000 0.000) 4.412 16.819 ( 4.691 0.000 0.000) 4.691 16.916 ( -3.512 0.000 0.000) 3.512 16.925 ( 5.859 0.000 0.000) 5.859 17.207 ( -2.463 0.000 0.000) 2.463 17.403 ( -6.669 0.000 0.000) 6.669 17.512 ( 2.347 0.000 0.000) 2.347 17.652 ( 1.575 0.000 0.000) 1.575 17.667 ( -2.294 0.000 0.000) 2.294 17.905 ( -4.282 0.000 0.000) 4.282 18.500 ( 0.920 0.000 0.000) 0.920 18.501 ( -0.414 0.000 0.000) 0.414 18.704 ( 0.422 0.000 0.000) 0.422 18.800 ( 15.194 0.000 0.000) 15.194 19.048 ( -12.595 0.000 0.000) 12.595 19.186 ( -3.192 0.000 0.000) 3.192 19.484 ( -7.624 0.000 0.000) 7.624 19.953 ( -15.611 0.000 0.000) 15.611 20.330 ( -3.766 0.000 0.000) 3.766 20.377 ( -2.728 0.000 0.000) 2.728 20.402 ( -3.947 0.000 0.000) 3.947 20.939 ( -20.027 0.000 0.000) 20.027 24.976 ( 3.659 0.000 0.000) 3.659 25.036 ( 1.196 0.000 0.000) 1.196 25.268 ( -1.040 0.000 0.000) 1.040 25.338 ( -2.962 0.000 0.000) 2.962 26.431 ( 1.834 0.000 0.000) 1.834 26.448 ( 0.819 0.000 0.000) 0.819 26.450 ( 0.466 0.000 0.000) 0.466 26.667 ( -4.588 0.000 0.000) 4.588 26.715 ( -0.304 0.000 0.000) 0.304 26.751 ( 1.525 0.000 0.000) 1.525 26.884 ( -6.054 0.000 0.000) 6.054 27.130 ( -8.414 0.000 0.000) 8.414 27.357 ( 2.901 0.000 0.000) 2.901 27.404 ( 2.299 0.000 0.000) 2.299 27.525 ( 3.858 0.000 0.000) 3.858 27.580 ( 2.774 0.000 0.000) 2.774 28.669 ( 12.975 0.000 0.000) 12.975 28.811 ( 10.738 0.000 0.000) 10.738 28.837 ( 8.788 0.000 0.000) 8.788 29.162 ( -2.927 0.000 0.000) 2.927 29.193 ( -0.551 0.000 0.000) 0.551 29.250 ( -2.140 0.000 0.000) 2.140 29.291 ( 4.276 0.000 0.000) 4.276 29.912 ( 0.738 0.000 0.000) 0.738 30.008 ( -16.478 0.000 0.000) 16.478 30.041 ( 0.144 0.000 0.000) 0.144 30.144 ( -2.030 0.000 0.000) 2.030 30.291 ( -10.577 0.000 0.000) 10.577 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 8.822 0.000 0.000) 8.822 1.508 ( 8.591 0.000 0.000) 8.591 1.586 ( 13.660 0.000 0.000) 13.660 1.679 ( 6.056 0.000 0.000) 6.056 1.770 ( 3.629 0.000 0.000) 3.629 1.786 ( 4.637 0.000 0.000) 4.637 1.860 ( -6.471 0.000 0.000) 6.471 1.912 ( 2.394 0.000 0.000) 2.394 1.921 ( 1.530 0.000 0.000) 1.530 1.938 ( -10.358 0.000 0.000) 10.358 2.018 ( 4.044 0.000 0.000) 4.044 2.044 ( 0.536 0.000 0.000) 0.536 2.097 ( -4.404 0.000 0.000) 4.404 2.186 ( -10.643 0.000 0.000) 10.643 2.223 ( 7.879 0.000 0.000) 7.879 2.378 ( -7.093 0.000 0.000) 7.093 2.409 ( 1.759 0.000 0.000) 1.759 2.460 ( -3.808 0.000 0.000) 3.808 2.597 ( 1.730 0.000 0.000) 1.730 2.658 ( -3.815 0.000 0.000) 3.815 2.812 ( 3.017 0.000 0.000) 3.017 2.858 ( -1.555 0.000 0.000) 1.555 3.148 ( 8.359 0.000 0.000) 8.359 3.291 ( -4.835 0.000 0.000) 4.835 3.446 ( -1.675 0.000 0.000) 1.675 3.547 ( -9.211 0.000 0.000) 9.211 3.960 ( 11.570 0.000 0.000) 11.570 4.122 ( 3.847 0.000 0.000) 3.847 4.382 ( -11.197 0.000 0.000) 11.197 4.384 ( -3.024 0.000 0.000) 3.024 4.613 ( 9.832 0.000 0.000) 9.832 4.779 ( -5.379 0.000 0.000) 5.379 5.095 ( 5.328 0.000 0.000) 5.328 5.234 ( -9.378 0.000 0.000) 9.378 5.361 ( 4.441 0.000 0.000) 4.441 5.466 ( -5.849 0.000 0.000) 5.849 5.714 ( 20.139 0.000 0.000) 20.139 5.848 ( 22.099 0.000 0.000) 22.099 5.921 ( -2.601 0.000 0.000) 2.601 6.092 ( 32.688 0.000 0.000) 32.688 6.238 ( 12.042 0.000 0.000) 12.042 6.309 ( 12.904 0.000 0.000) 12.904 6.371 ( -11.781 0.000 0.000) 11.781 6.611 ( 3.372 0.000 0.000) 3.372 6.683 ( 11.081 0.000 0.000) 11.081 6.835 ( -11.213 0.000 0.000) 11.213 6.885 ( -15.885 0.000 0.000) 15.885 7.088 ( -17.408 0.000 0.000) 17.408 7.282 ( 8.154 0.000 0.000) 8.154 7.366 ( 0.923 0.000 0.000) 0.923 7.446 ( 0.877 0.000 0.000) 0.877 7.571 ( 3.620 0.000 0.000) 3.620 7.641 ( -12.363 0.000 0.000) 12.363 7.779 ( -12.016 0.000 0.000) 12.016 7.994 ( 21.870 0.000 0.000) 21.870 8.220 ( 15.773 0.000 0.000) 15.773 8.228 ( 5.486 0.000 0.000) 5.486 8.371 ( -7.712 0.000 0.000) 7.712 8.418 ( -14.397 0.000 0.000) 14.397 8.418 ( -2.009 0.000 0.000) 2.009 8.688 ( 7.004 0.000 0.000) 7.004 8.837 ( 3.189 0.000 0.000) 3.189 8.849 ( -8.090 0.000 0.000) 8.090 8.976 ( 9.135 0.000 0.000) 9.135 9.018 ( -9.687 0.000 0.000) 9.687 9.164 ( 3.383 0.000 0.000) 3.383 9.190 ( -9.188 0.000 0.000) 9.188 9.208 ( 0.203 0.000 0.000) 0.203 9.454 ( 13.035 0.000 0.000) 13.035 9.728 ( -12.260 0.000 0.000) 12.260 9.778 ( 1.542 0.000 0.000) 1.542 9.836 ( -1.238 0.000 0.000) 1.238 9.979 ( 4.503 0.000 0.000) 4.503 10.081 ( 5.595 0.000 0.000) 5.595 10.142 ( 2.179 0.000 0.000) 2.179 10.180 ( -14.932 0.000 0.000) 14.932 10.191 ( 2.358 0.000 0.000) 2.358 10.261 ( -4.413 0.000 0.000) 4.413 10.289 ( -9.477 0.000 0.000) 9.477 10.351 ( -14.272 0.000 0.000) 14.272 10.679 ( 8.086 0.000 0.000) 8.086 10.722 ( -1.854 0.000 0.000) 1.854 11.028 ( 0.868 0.000 0.000) 0.868 11.053 ( -1.593 0.000 0.000) 1.593 11.132 ( 16.005 0.000 0.000) 16.005 11.207 ( 0.334 0.000 0.000) 0.334 11.277 ( 3.711 0.000 0.000) 3.711 11.340 ( -3.825 0.000 0.000) 3.825 11.347 ( -8.871 0.000 0.000) 8.871 11.415 ( 6.958 0.000 0.000) 6.958 11.451 ( 2.640 0.000 0.000) 2.640 11.453 ( -12.857 0.000 0.000) 12.857 11.581 ( -4.800 0.000 0.000) 4.800 11.632 ( -11.168 0.000 0.000) 11.168 11.855 ( 0.628 0.000 0.000) 0.628 11.872 ( -1.994 0.000 0.000) 1.994 11.962 ( 7.065 0.000 0.000) 7.065 12.109 ( -7.441 0.000 0.000) 7.441 12.221 ( 3.877 0.000 0.000) 3.877 12.279 ( 2.228 0.000 0.000) 2.228 12.284 ( -3.281 0.000 0.000) 3.281 12.385 ( -5.576 0.000 0.000) 5.576 12.851 ( 0.916 0.000 0.000) 0.916 12.854 ( 1.149 0.000 0.000) 1.149 13.214 ( 1.488 0.000 0.000) 1.488 13.230 ( -0.997 0.000 0.000) 0.997 13.692 ( -1.991 0.000 0.000) 1.991 13.703 ( -2.814 0.000 0.000) 2.814 13.903 ( 9.178 0.000 0.000) 9.178 14.000 ( 0.953 0.000 0.000) 0.953 14.046 ( 13.812 0.000 0.000) 13.812 14.235 ( -1.915 0.000 0.000) 1.915 14.256 ( 8.820 0.000 0.000) 8.820 14.361 ( 5.180 0.000 0.000) 5.180 14.382 ( -2.734 0.000 0.000) 2.734 14.420 ( -4.268 0.000 0.000) 4.268 14.558 ( 2.566 0.000 0.000) 2.566 14.646 ( -4.506 0.000 0.000) 4.506 14.947 ( -2.877 0.000 0.000) 2.877 14.947 ( -2.562 0.000 0.000) 2.562 15.480 ( 18.448 0.000 0.000) 18.448 15.520 ( -0.797 0.000 0.000) 0.797 15.570 ( -6.852 0.000 0.000) 6.852 15.792 ( -12.550 0.000 0.000) 12.550 15.877 ( 7.092 0.000 0.000) 7.092 16.057 ( -9.129 0.000 0.000) 9.129 16.268 ( 6.639 0.000 0.000) 6.639 16.294 ( 3.808 0.000 0.000) 3.808 16.511 ( 7.768 0.000 0.000) 7.768 16.600 ( -2.197 0.000 0.000) 2.197 16.795 ( 1.650 0.000 0.000) 1.650 16.842 ( -3.175 0.000 0.000) 3.175 16.970 ( 10.630 0.000 0.000) 10.630 17.034 ( 5.028 0.000 0.000) 5.028 17.133 ( -4.368 0.000 0.000) 4.368 17.214 ( -11.322 0.000 0.000) 11.322 17.590 ( 4.112 0.000 0.000) 4.112 17.653 ( -1.645 0.000 0.000) 1.645 17.668 ( 2.932 0.000 0.000) 2.932 17.781 ( -6.916 0.000 0.000) 6.916 18.500 ( 0.233 0.000 0.000) 0.233 18.505 ( -0.156 0.000 0.000) 0.156 18.730 ( 2.479 0.000 0.000) 2.479 18.831 ( -7.721 0.000 0.000) 7.721 19.171 ( 19.765 0.000 0.000) 19.765 19.171 ( 2.748 0.000 0.000) 2.748 19.300 ( -8.806 0.000 0.000) 8.806 19.585 ( -19.464 0.000 0.000) 19.464 20.330 ( -1.276 0.000 0.000) 1.276 20.337 ( -1.922 0.000 0.000) 1.922 20.346 ( 5.741 0.000 0.000) 5.741 20.565 ( -14.962 0.000 0.000) 14.962 25.037 ( 1.956 0.000 0.000) 1.956 25.053 ( 0.273 0.000 0.000) 0.273 25.260 ( 0.356 0.000 0.000) 0.356 25.285 ( -2.004 0.000 0.000) 2.004 26.460 ( 0.796 0.000 0.000) 0.796 26.463 ( 0.420 0.000 0.000) 0.420 26.485 ( 2.981 0.000 0.000) 2.981 26.568 ( -4.725 0.000 0.000) 4.725 26.724 ( 1.364 0.000 0.000) 1.364 26.778 ( -3.958 0.000 0.000) 3.958 26.817 ( 4.943 0.000 0.000) 4.943 26.954 ( -8.016 0.000 0.000) 8.016 27.409 ( 1.893 0.000 0.000) 1.893 27.429 ( 0.074 0.000 0.000) 0.074 27.594 ( 2.406 0.000 0.000) 2.406 27.615 ( 0.411 0.000 0.000) 0.411 28.918 ( 10.364 0.000 0.000) 10.364 28.970 ( 4.070 0.000 0.000) 4.070 28.974 ( 3.608 0.000 0.000) 3.608 29.083 ( -5.467 0.000 0.000) 5.467 29.185 ( -0.062 0.000 0.000) 0.062 29.202 ( -1.891 0.000 0.000) 1.891 29.438 ( 9.803 0.000 0.000) 9.803 29.686 ( -13.997 0.000 0.000) 13.997 29.953 ( 3.758 0.000 0.000) 3.758 30.058 ( 1.494 0.000 0.000) 1.494 30.083 ( -8.667 0.000 0.000) 8.667 30.098 ( -2.263 0.000 0.000) 2.263 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 24.499 0.000) 24.499 0.590 ( 0.000 30.455 0.000) 30.455 1.006 ( 0.000 50.106 0.000) 50.106 1.153 ( 0.000 -2.488 0.000) 2.488 1.285 ( 0.000 0.081 0.000) 0.081 1.296 ( 0.000 -0.111 0.000) 0.111 1.569 ( 0.000 3.643 0.000) 3.643 1.731 ( 0.000 -3.809 0.000) 3.809 1.852 ( 0.000 -1.988 0.000) 1.988 1.954 ( 0.000 1.123 0.000) 1.123 2.004 ( 0.000 4.826 0.000) 4.826 2.057 ( 0.000 -0.277 0.000) 0.277 2.193 ( 0.000 5.249 0.000) 5.249 2.368 ( 0.000 -0.444 0.000) 0.444 2.442 ( 0.000 4.458 0.000) 4.458 2.543 ( 0.000 -3.870 0.000) 3.870 2.544 ( 0.000 -2.489 0.000) 2.489 2.565 ( 0.000 -2.397 0.000) 2.397 2.586 ( 0.000 -3.406 0.000) 3.406 2.713 ( 0.000 0.617 0.000) 0.617 2.764 ( 0.000 -0.441 0.000) 0.441 2.811 ( 0.000 -2.254 0.000) 2.254 2.845 ( 0.000 1.968 0.000) 1.968 2.887 ( 0.000 3.087 0.000) 3.087 3.203 ( 0.000 -5.474 0.000) 5.474 3.628 ( 0.000 -13.090 0.000) 13.090 3.767 ( 0.000 10.068 0.000) 10.068 3.817 ( 0.000 -0.253 0.000) 0.253 3.968 ( 0.000 3.011 0.000) 3.011 4.449 ( 0.000 8.751 0.000) 8.751 4.454 ( 0.000 9.176 0.000) 9.176 4.466 ( 0.000 2.713 0.000) 2.713 4.652 ( 0.000 -2.138 0.000) 2.138 4.754 ( 0.000 11.127 0.000) 11.127 4.889 ( 0.000 -1.450 0.000) 1.450 5.070 ( 0.000 -5.104 0.000) 5.104 5.086 ( 0.000 -11.558 0.000) 11.558 5.466 ( 0.000 1.264 0.000) 1.264 5.726 ( 0.000 -10.421 0.000) 10.421 5.913 ( 0.000 8.518 0.000) 8.518 5.971 ( 0.000 -0.263 0.000) 0.263 6.108 ( 0.000 -16.768 0.000) 16.768 6.259 ( 0.000 -9.687 0.000) 9.687 6.505 ( 0.000 -2.786 0.000) 2.786 6.622 ( 0.000 4.899 0.000) 4.899 6.696 ( 0.000 -10.049 0.000) 10.049 6.783 ( 0.000 5.101 0.000) 5.101 6.940 ( 0.000 -14.133 0.000) 14.133 7.135 ( 0.000 -18.600 0.000) 18.600 7.341 ( 0.000 -0.036 0.000) 0.036 7.361 ( 0.000 -9.536 0.000) 9.536 7.587 ( 0.000 -4.595 0.000) 4.595 7.685 ( 0.000 -14.862 0.000) 14.862 7.815 ( 0.000 -3.416 0.000) 3.416 7.928 ( 0.000 19.273 0.000) 19.273 7.980 ( 0.000 11.912 0.000) 11.912 8.174 ( 0.000 12.089 0.000) 12.089 8.320 ( 0.000 4.310 0.000) 4.310 8.446 ( 0.000 24.654 0.000) 24.654 8.527 ( 0.000 2.789 0.000) 2.789 8.555 ( 0.000 9.258 0.000) 9.258 8.799 ( 0.000 1.476 0.000) 1.476 9.020 ( 0.000 6.629 0.000) 6.629 9.089 ( 0.000 8.756 0.000) 8.756 9.093 ( 0.000 6.885 0.000) 6.885 9.191 ( 0.000 -4.603 0.000) 4.603 9.358 ( 0.000 -13.439 0.000) 13.439 9.453 ( 0.000 -4.346 0.000) 4.346 9.557 ( 0.000 -4.771 0.000) 4.771 9.726 ( 0.000 15.100 0.000) 15.100 9.755 ( 0.000 -12.426 0.000) 12.426 9.848 ( 0.000 -9.927 0.000) 9.927 9.960 ( 0.000 -19.430 0.000) 19.430 9.980 ( 0.000 16.651 0.000) 16.651 10.166 ( 0.000 4.776 0.000) 4.776 10.168 ( 0.000 13.056 0.000) 13.056 10.324 ( 0.000 4.180 0.000) 4.180 10.592 ( 0.000 -7.952 0.000) 7.952 10.771 ( 0.000 6.703 0.000) 6.703 10.889 ( 0.000 5.131 0.000) 5.131 10.926 ( 0.000 -14.394 0.000) 14.394 10.995 ( 0.000 -10.383 0.000) 10.383 11.018 ( 0.000 2.148 0.000) 2.148 11.124 ( 0.000 4.407 0.000) 4.407 11.279 ( 0.000 -1.807 0.000) 1.807 11.358 ( 0.000 6.908 0.000) 6.908 11.409 ( 0.000 4.683 0.000) 4.683 11.492 ( 0.000 -0.623 0.000) 0.623 11.499 ( 0.000 -0.262 0.000) 0.262 11.661 ( 0.000 -1.835 0.000) 1.835 11.684 ( 0.000 -1.615 0.000) 1.615 11.707 ( 0.000 6.160 0.000) 6.160 11.839 ( 0.000 -4.347 0.000) 4.347 11.892 ( 0.000 -7.764 0.000) 7.764 11.966 ( 0.000 -2.785 0.000) 2.785 11.967 ( 0.000 -9.628 0.000) 9.628 12.079 ( 0.000 -0.190 0.000) 0.190 12.296 ( 0.000 3.940 0.000) 3.940 12.337 ( 0.000 2.347 0.000) 2.347 12.340 ( 0.000 -0.709 0.000) 0.709 12.382 ( 0.000 -0.174 0.000) 0.174 12.736 ( 0.000 -14.592 0.000) 14.592 12.780 ( 0.000 6.259 0.000) 6.259 12.946 ( 0.000 -2.305 0.000) 2.305 12.957 ( 0.000 4.907 0.000) 4.907 13.014 ( 0.000 6.257 0.000) 6.257 13.096 ( 0.000 -7.503 0.000) 7.503 13.218 ( 0.000 -4.623 0.000) 4.623 13.254 ( 0.000 -0.907 0.000) 0.907 13.442 ( 0.000 -5.235 0.000) 5.235 13.535 ( 0.000 8.603 0.000) 8.603 13.764 ( 0.000 13.344 0.000) 13.344 14.028 ( 0.000 -7.257 0.000) 7.257 14.360 ( 0.000 10.685 0.000) 10.685 14.416 ( 0.000 4.706 0.000) 4.706 14.649 ( 0.000 -1.510 0.000) 1.510 14.702 ( 0.000 -1.078 0.000) 1.078 14.865 ( 0.000 -5.962 0.000) 5.962 14.911 ( 0.000 0.580 0.000) 0.580 15.063 ( 0.000 -5.802 0.000) 5.802 15.172 ( 0.000 2.025 0.000) 2.025 15.361 ( 0.000 4.314 0.000) 4.314 15.472 ( 0.000 -1.193 0.000) 1.193 15.683 ( 0.000 -0.955 0.000) 0.955 15.740 ( 0.000 1.445 0.000) 1.445 15.778 ( 0.000 2.364 0.000) 2.364 16.217 ( 0.000 -5.320 0.000) 5.320 16.241 ( 0.000 -7.852 0.000) 7.852 16.328 ( 0.000 -1.086 0.000) 1.086 16.396 ( 0.000 -2.801 0.000) 2.801 16.656 ( 0.000 2.805 0.000) 2.805 16.757 ( 0.000 7.622 0.000) 7.622 16.845 ( 0.000 9.993 0.000) 9.993 16.891 ( 0.000 -1.918 0.000) 1.918 17.207 ( 0.000 -0.753 0.000) 0.753 17.416 ( 0.000 -10.164 0.000) 10.164 17.532 ( 0.000 -0.685 0.000) 0.685 17.580 ( 0.000 -0.666 0.000) 0.666 17.847 ( 0.000 7.859 0.000) 7.859 18.355 ( 0.000 -6.380 0.000) 6.380 18.420 ( 0.000 3.692 0.000) 3.692 18.512 ( 0.000 -0.798 0.000) 0.798 18.573 ( 0.000 2.288 0.000) 2.288 18.705 ( 0.000 -0.169 0.000) 0.169 19.525 ( 0.000 2.298 0.000) 2.298 19.536 ( 0.000 0.809 0.000) 0.809 19.632 ( 0.000 -1.370 0.000) 1.370 19.853 ( 0.000 -6.658 0.000) 6.658 20.433 ( 0.000 1.993 0.000) 1.993 20.511 ( 0.000 -0.538 0.000) 0.538 21.136 ( 0.000 4.683 0.000) 4.683 21.462 ( 0.000 -3.446 0.000) 3.446 24.884 ( 0.000 1.255 0.000) 1.255 24.990 ( 0.000 -1.362 0.000) 1.362 25.132 ( 0.000 1.894 0.000) 1.894 25.290 ( 0.000 -1.988 0.000) 1.988 26.410 ( 0.000 3.449 0.000) 3.449 26.457 ( 0.000 2.398 0.000) 2.398 26.729 ( 0.000 -0.272 0.000) 0.272 26.737 ( 0.000 -0.736 0.000) 0.736 26.798 ( 0.000 2.232 0.000) 2.232 27.103 ( 0.000 0.605 0.000) 0.605 27.128 ( 0.000 -3.868 0.000) 3.868 27.251 ( 0.000 -2.377 0.000) 2.377 27.320 ( 0.000 3.756 0.000) 3.756 27.357 ( 0.000 -0.118 0.000) 0.118 27.394 ( 0.000 -2.504 0.000) 2.504 27.462 ( 0.000 0.027 0.000) 0.027 28.342 ( 0.000 2.911 0.000) 2.911 28.467 ( 0.000 -0.242 0.000) 0.242 28.570 ( 0.000 -0.392 0.000) 0.392 28.641 ( 0.000 -1.884 0.000) 1.884 29.206 ( 0.000 0.141 0.000) 0.141 29.249 ( 0.000 -1.029 0.000) 1.029 29.358 ( 0.000 9.189 0.000) 9.189 29.947 ( 0.000 4.219 0.000) 4.219 29.989 ( 0.000 -6.730 0.000) 6.730 30.338 ( 0.000 2.175 0.000) 2.175 30.407 ( 0.000 -6.995 0.000) 6.995 30.518 ( 0.000 -2.183 0.000) 2.183 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 17.651 15.189 0.000) 23.286 0.845 ( 19.732 19.074 0.000) 27.444 1.199 ( 11.224 26.989 0.000) 29.229 1.257 ( 8.961 -1.131 0.000) 9.032 1.394 ( 9.787 -0.173 0.000) 9.789 1.512 ( 21.557 0.244 0.000) 21.559 1.620 ( 5.171 1.964 0.000) 5.532 1.768 ( 3.010 -2.526 0.000) 3.929 1.868 ( 1.092 -1.332 0.000) 1.723 1.958 ( 0.373 0.619 0.000) 0.722 2.030 ( 1.212 3.884 0.000) 4.069 2.057 ( 0.004 -0.223 0.000) 0.223 2.314 ( -4.494 -0.328 0.000) 4.506 2.351 ( -3.775 -3.638 0.000) 5.243 2.414 ( -5.942 -0.231 0.000) 5.946 2.537 ( -3.454 -5.225 0.000) 6.263 2.575 ( 1.555 -1.245 0.000) 1.992 2.580 ( -3.182 -0.552 0.000) 3.229 2.665 ( -1.110 0.975 0.000) 1.477 2.721 ( -1.971 -3.136 0.000) 3.703 2.759 ( -5.226 -1.006 0.000) 5.322 2.827 ( 3.042 -4.406 0.000) 5.354 2.925 ( 3.539 4.334 0.000) 5.595 3.252 ( 3.672 -4.601 0.000) 5.887 3.374 ( 44.170 -20.835 0.000) 48.837 3.806 ( 4.901 -0.434 0.000) 4.921 3.813 ( 1.581 4.662 0.000) 4.923 3.920 ( 2.032 5.001 0.000) 5.398 4.038 ( 29.699 -13.600 0.000) 32.665 4.212 ( -24.270 3.212 0.000) 24.481 4.432 ( 0.913 4.677 0.000) 4.765 4.607 ( 9.843 2.362 0.000) 10.122 4.664 ( 14.737 8.254 0.000) 16.890 4.717 ( 1.596 14.961 0.000) 15.046 4.948 ( -4.037 -11.926 0.000) 12.591 5.156 ( 5.910 0.778 0.000) 5.961 5.159 ( 6.763 -2.760 0.000) 7.304 5.558 ( -10.670 -11.818 0.000) 15.922 5.655 ( 14.824 -0.037 0.000) 14.824 5.892 ( 1.225 5.812 0.000) 5.940 6.019 ( 1.211 3.168 0.000) 3.392 6.117 ( -0.120 -12.394 0.000) 12.395 6.309 ( -0.163 -4.442 0.000) 4.445 6.603 ( -1.790 -10.066 0.000) 10.224 6.719 ( 4.517 0.406 0.000) 4.535 6.767 ( 6.713 0.598 0.000) 6.740 6.803 ( 18.051 -5.337 0.000) 18.823 6.949 ( -12.574 -8.133 0.000) 14.975 7.077 ( 9.188 -8.432 0.000) 12.471 7.303 ( -1.828 1.177 0.000) 2.174 7.394 ( 2.435 -7.401 0.000) 7.791 7.597 ( -0.867 2.074 0.000) 2.248 7.739 ( 4.915 -11.308 0.000) 12.330 7.846 ( 4.177 -3.061 0.000) 5.179 8.012 ( 1.382 11.306 0.000) 11.390 8.018 ( 3.654 2.271 0.000) 4.302 8.203 ( 1.550 10.463 0.000) 10.577 8.224 ( -7.745 6.243 0.000) 9.948 8.391 ( 2.138 18.280 0.000) 18.404 8.520 ( -0.765 3.402 0.000) 3.487 8.617 ( 3.757 6.686 0.000) 7.669 8.803 ( 0.899 5.582 0.000) 5.653 8.974 ( -3.541 -0.733 0.000) 3.616 9.027 ( -3.468 4.791 0.000) 5.915 9.044 ( -2.906 6.697 0.000) 7.300 9.286 ( 3.924 -1.819 0.000) 4.325 9.317 ( -5.231 -0.223 0.000) 5.236 9.440 ( -3.645 -4.516 0.000) 5.803 9.648 ( -6.571 -0.674 0.000) 6.606 9.700 ( 12.076 -6.928 0.000) 13.922 9.753 ( 0.681 -6.325 0.000) 6.361 9.861 ( -6.873 -15.965 0.000) 17.381 9.914 ( 0.739 6.572 0.000) 6.613 10.014 ( 4.092 3.653 0.000) 5.485 10.075 ( -1.873 6.764 0.000) 7.019 10.127 ( -0.607 6.583 0.000) 6.611 10.306 ( -2.490 0.140 0.000) 2.493 10.554 ( -6.473 -7.543 0.000) 9.939 10.720 ( -1.348 7.118 0.000) 7.244 10.784 ( -15.637 8.215 0.000) 17.664 10.885 ( -14.923 -0.003 0.000) 14.923 10.899 ( -2.403 4.652 0.000) 5.236 10.943 ( -3.938 -8.229 0.000) 9.123 11.055 ( -0.982 -3.399 0.000) 3.538 11.193 ( -1.552 5.393 0.000) 5.612 11.232 ( -2.539 -0.197 0.000) 2.547 11.264 ( -5.973 -2.298 0.000) 6.400 11.394 ( -3.421 3.030 0.000) 4.570 11.480 ( -5.850 5.057 0.000) 7.732 11.590 ( 0.526 0.643 0.000) 0.831 11.679 ( 1.961 -1.490 0.000) 2.463 11.737 ( 4.791 2.433 0.000) 5.373 11.834 ( -12.107 -4.567 0.000) 12.940 11.872 ( -0.887 -3.639 0.000) 3.746 11.938 ( 3.014 -5.143 0.000) 5.961 11.983 ( -4.239 -2.914 0.000) 5.144 12.026 ( -10.680 1.365 0.000) 10.767 12.151 ( -21.881 -4.768 0.000) 22.394 12.247 ( 0.251 4.463 0.000) 4.470 12.322 ( 0.274 -6.443 0.000) 6.449 12.435 ( 3.850 -7.164 0.000) 8.133 12.566 ( -2.034 4.976 0.000) 5.375 12.773 ( 2.041 3.984 0.000) 4.477 12.882 ( -2.940 0.895 0.000) 3.073 12.913 ( 4.418 -1.652 0.000) 4.716 13.346 ( 13.602 -9.338 0.000) 16.499 13.390 ( -1.702 -1.283 0.000) 2.131 13.395 ( 10.472 -1.014 0.000) 10.521 13.576 ( 18.436 -6.118 0.000) 19.425 13.641 ( 31.111 -5.645 0.000) 31.619 13.653 ( 9.686 3.184 0.000) 10.196 13.745 ( 2.120 11.786 0.000) 11.975 13.948 ( -4.817 -0.842 0.000) 4.890 14.337 ( -2.067 0.278 0.000) 2.085 14.377 ( -11.407 10.541 0.000) 15.531 14.550 ( -0.273 1.616 0.000) 1.638 14.619 ( 7.528 1.454 0.000) 7.667 14.891 ( -12.251 3.249 0.000) 12.675 14.975 ( 4.245 -3.145 0.000) 5.283 15.122 ( -0.552 4.135 0.000) 4.171 15.188 ( -9.998 6.681 0.000) 12.025 15.392 ( 18.534 -25.758 0.000) 31.733 15.449 ( -1.424 -3.624 0.000) 3.893 15.643 ( 8.239 -7.240 0.000) 10.968 15.954 ( 10.016 3.479 0.000) 10.602 16.090 ( -8.862 2.591 0.000) 9.233 16.138 ( -5.235 -2.210 0.000) 5.682 16.225 ( 18.652 -6.068 0.000) 19.615 16.277 ( -8.865 -2.163 0.000) 9.125 16.384 ( 4.860 -11.666 0.000) 12.637 16.660 ( -2.573 5.321 0.000) 5.911 16.814 ( 8.658 2.542 0.000) 9.023 16.839 ( 1.679 10.995 0.000) 11.123 17.052 ( 6.330 2.310 0.000) 6.739 17.200 ( -0.501 -2.633 0.000) 2.680 17.396 ( -1.793 -8.644 0.000) 8.828 17.507 ( -1.950 -0.957 0.000) 2.172 17.595 ( 1.382 -1.420 0.000) 1.982 17.807 ( -3.385 7.118 0.000) 7.881 18.135 ( -12.387 3.626 0.000) 12.907 18.467 ( 3.063 1.829 0.000) 3.568 18.507 ( -0.529 -0.245 0.000) 0.583 18.612 ( 4.691 2.750 0.000) 5.438 18.773 ( 2.515 2.134 0.000) 3.298 19.349 ( -11.956 7.307 0.000) 14.012 19.360 ( -10.329 4.864 0.000) 11.417 19.569 ( -1.726 -0.934 0.000) 1.963 19.978 ( 0.169 -14.863 0.000) 14.864 20.395 ( -2.980 1.558 0.000) 3.363 20.474 ( -3.270 -0.662 0.000) 3.336 20.786 ( -19.175 16.585 0.000) 25.352 21.291 ( -15.273 -3.635 0.000) 15.699 24.920 ( 2.951 1.457 0.000) 3.290 25.003 ( 1.159 -1.013 0.000) 1.539 25.243 ( 4.279 -6.975 0.000) 8.183 25.276 ( -1.171 -1.865 0.000) 2.202 26.422 ( 1.100 2.839 0.000) 3.045 26.458 ( 0.157 2.095 0.000) 2.101 26.694 ( -8.154 6.149 0.000) 10.213 26.723 ( -0.543 -0.288 0.000) 0.614 26.764 ( -3.090 1.859 0.000) 3.607 26.777 ( -7.537 7.866 0.000) 10.894 27.038 ( -5.408 2.357 0.000) 5.900 27.241 ( -3.274 -3.322 0.000) 4.664 27.316 ( -0.488 0.628 0.000) 0.795 27.349 ( 2.464 0.520 0.000) 2.519 27.441 ( 3.599 -0.453 0.000) 3.627 27.513 ( 3.480 0.008 0.000) 3.480 28.463 ( 10.694 4.300 0.000) 11.526 28.583 ( 9.668 0.302 0.000) 9.673 28.654 ( 7.473 -0.247 0.000) 7.477 29.014 ( 13.833 -14.137 0.000) 19.779 29.200 ( -0.549 -0.160 0.000) 0.572 29.226 ( -1.348 -0.784 0.000) 1.559 29.378 ( 1.003 8.470 0.000) 8.529 29.939 ( -0.716 3.416 0.000) 3.490 29.983 ( -0.455 -6.638 0.000) 6.653 30.198 ( -7.341 2.413 0.000) 7.727 30.281 ( -11.241 -4.564 0.000) 12.133 30.441 ( -7.044 -3.701 0.000) 7.957 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 17.045 2.965 0.000) 17.301 1.256 ( 17.908 8.013 0.000) 19.619 1.428 ( 11.234 13.051 0.000) 17.220 1.479 ( 11.471 -0.500 0.000) 11.482 1.629 ( 11.287 1.603 0.000) 11.400 1.707 ( 5.286 3.376 0.000) 6.272 1.840 ( 3.869 -0.810 0.000) 3.953 1.886 ( 0.260 -1.671 0.000) 1.691 1.947 ( 14.203 -4.683 0.000) 14.955 1.960 ( -0.989 -0.262 0.000) 1.023 2.015 ( -1.992 2.368 0.000) 3.095 2.056 ( -0.121 -0.054 0.000) 0.132 2.161 ( -10.453 -1.964 0.000) 10.636 2.210 ( -5.062 0.456 0.000) 5.082 2.352 ( -4.004 -1.495 0.000) 4.274 2.442 ( -4.522 -5.260 0.000) 6.937 2.450 ( -6.301 2.554 0.000) 6.798 2.558 ( -4.455 -1.388 0.000) 4.666 2.629 ( -3.510 1.390 0.000) 3.776 2.694 ( -1.492 -3.474 0.000) 3.781 2.717 ( 3.560 -1.069 0.000) 3.717 2.846 ( -0.365 -3.025 0.000) 3.047 3.032 ( 6.632 4.923 0.000) 8.260 3.306 ( 0.818 -3.113 0.000) 3.219 3.673 ( -2.622 -1.678 0.000) 3.113 3.676 ( -15.961 0.867 0.000) 15.985 3.895 ( 2.096 7.523 0.000) 7.810 3.994 ( 5.915 4.369 0.000) 7.354 4.217 ( 16.266 -8.230 0.000) 18.229 4.505 ( 3.836 4.750 0.000) 6.106 4.695 ( -1.723 -2.372 0.000) 2.932 4.779 ( 4.022 -6.160 0.000) 7.357 4.813 ( 8.410 -6.589 0.000) 10.684 4.930 ( 18.005 -14.100 0.000) 22.869 5.016 ( 31.689 9.627 0.000) 33.119 5.279 ( -0.139 -6.735 0.000) 6.736 5.350 ( 12.425 7.740 0.000) 14.639 5.574 ( 20.437 2.761 0.000) 20.623 5.816 ( -1.196 3.100 0.000) 3.323 6.006 ( -2.114 -1.772 0.000) 2.759 6.046 ( 10.853 6.926 0.000) 12.874 6.116 ( 2.225 -1.312 0.000) 2.583 6.316 ( 6.262 -11.408 0.000) 13.014 6.518 ( -4.920 -3.791 0.000) 6.211 6.655 ( -11.355 -6.065 0.000) 12.873 6.782 ( 4.850 -4.842 0.000) 6.853 7.027 ( 7.977 0.977 0.000) 8.037 7.128 ( 0.821 3.350 0.000) 3.449 7.228 ( 11.038 -2.056 0.000) 11.228 7.446 ( 3.973 -1.216 0.000) 4.155 7.455 ( 14.318 -4.299 0.000) 14.950 7.533 ( -4.836 5.799 0.000) 7.551 7.819 ( -12.443 2.759 0.000) 12.746 7.866 ( 4.882 0.612 0.000) 4.920 7.970 ( -2.102 -1.494 0.000) 2.579 8.082 ( 9.191 4.235 0.000) 10.120 8.126 ( -0.088 12.375 0.000) 12.375 8.296 ( 7.887 -1.978 0.000) 8.131 8.488 ( -2.372 5.838 0.000) 6.302 8.512 ( 1.860 5.143 0.000) 5.469 8.712 ( 4.364 10.313 0.000) 11.198 8.811 ( 3.054 1.368 0.000) 3.346 8.886 ( -4.519 -1.737 0.000) 4.842 8.993 ( -3.630 2.780 0.000) 4.572 9.029 ( 0.619 -1.383 0.000) 1.515 9.207 ( -3.203 7.805 0.000) 8.437 9.250 ( -3.898 -0.848 0.000) 3.989 9.291 ( -9.427 -8.942 0.000) 12.993 9.480 ( -8.306 3.653 0.000) 9.074 9.721 ( -5.755 -15.069 0.000) 16.131 9.746 ( -3.660 -4.201 0.000) 5.572 9.820 ( -1.587 -8.497 0.000) 8.644 9.942 ( 0.639 -9.446 0.000) 9.468 9.982 ( 1.295 4.324 0.000) 4.513 10.079 ( -8.598 -6.948 0.000) 11.054 10.256 ( 3.578 -1.419 0.000) 3.849 10.268 ( 7.684 12.548 0.000) 14.713 10.417 ( -2.869 5.472 0.000) 6.179 10.523 ( -7.785 4.497 0.000) 8.991 10.671 ( -6.971 3.482 0.000) 7.792 10.712 ( -14.350 2.333 0.000) 14.538 10.726 ( -1.431 -4.283 0.000) 4.516 10.913 ( 4.812 5.362 0.000) 7.205 11.020 ( -2.094 -4.570 0.000) 5.027 11.056 ( -3.480 0.144 0.000) 3.483 11.202 ( -1.401 -6.149 0.000) 6.307 11.323 ( -2.588 3.273 0.000) 4.172 11.352 ( 5.534 -1.492 0.000) 5.732 11.387 ( -3.361 1.705 0.000) 3.769 11.490 ( -8.215 4.670 0.000) 9.449 11.516 ( -12.460 -5.437 0.000) 13.595 11.703 ( -8.773 -0.481 0.000) 8.786 11.739 ( -6.266 -0.975 0.000) 6.341 11.801 ( -1.888 0.185 0.000) 1.898 11.807 ( -6.151 -2.754 0.000) 6.740 11.877 ( -0.918 1.570 0.000) 1.818 11.885 ( -1.228 -2.231 0.000) 2.546 12.114 ( 8.112 2.289 0.000) 8.429 12.178 ( -6.224 -6.099 0.000) 8.714 12.382 ( 1.910 -3.710 0.000) 4.173 12.421 ( -2.844 3.529 0.000) 4.532 12.459 ( -6.250 8.549 0.000) 10.590 12.821 ( 1.650 0.475 0.000) 1.717 12.836 ( -1.442 -0.920 0.000) 1.711 13.107 ( 9.321 -1.454 0.000) 9.434 13.290 ( -4.048 -0.010 0.000) 4.048 13.620 ( 8.874 -4.308 0.000) 9.865 13.633 ( 6.719 -8.300 0.000) 10.678 13.751 ( 4.692 2.606 0.000) 5.367 13.774 ( 7.230 2.904 0.000) 7.791 13.925 ( 4.349 2.621 0.000) 5.078 14.026 ( 14.700 -1.863 0.000) 14.818 14.103 ( 10.908 -7.334 0.000) 13.144 14.275 ( 1.940 8.957 0.000) 9.165 14.291 ( -2.307 -6.812 0.000) 7.192 14.479 ( -0.381 1.162 0.000) 1.222 14.685 ( -5.463 6.516 0.000) 8.503 14.888 ( -3.207 -2.910 0.000) 4.331 14.923 ( 6.195 7.781 0.000) 9.946 15.063 ( -4.530 4.470 0.000) 6.364 15.158 ( 7.020 4.160 0.000) 8.160 15.452 ( 2.290 -5.729 0.000) 6.169 15.633 ( -1.226 -16.962 0.000) 17.006 15.743 ( 4.555 -17.723 0.000) 18.299 15.856 ( -7.436 1.473 0.000) 7.580 15.991 ( -9.846 -3.046 0.000) 10.307 16.210 ( 9.210 4.830 0.000) 10.400 16.240 ( 8.829 3.245 0.000) 9.407 16.472 ( 4.927 7.992 0.000) 9.389 16.496 ( 5.057 -8.615 0.000) 9.989 16.661 ( 3.564 -3.270 0.000) 4.836 16.813 ( -0.493 4.699 0.000) 4.725 17.018 ( 6.589 7.115 0.000) 9.697 17.095 ( -1.037 6.962 0.000) 7.039 17.187 ( -1.047 -1.341 0.000) 1.701 17.338 ( -4.483 -5.918 0.000) 7.424 17.487 ( 1.231 -1.745 0.000) 2.135 17.625 ( 1.021 -2.862 0.000) 3.039 17.731 ( -3.301 5.513 0.000) 6.425 17.936 ( -7.736 1.401 0.000) 7.862 18.495 ( -0.454 -0.169 0.000) 0.484 18.501 ( 0.485 0.075 0.000) 0.491 18.774 ( 8.777 -1.084 0.000) 8.843 18.788 ( -0.532 5.799 0.000) 5.823 19.154 ( -7.281 9.106 0.000) 11.659 19.184 ( -4.885 0.888 0.000) 4.965 19.473 ( -6.652 -0.844 0.000) 6.705 19.869 ( -9.090 -8.078 0.000) 12.160 20.332 ( -2.644 0.551 0.000) 2.701 20.393 ( -4.043 -0.872 0.000) 4.136 20.478 ( -10.576 9.000 0.000) 13.887 20.908 ( -19.643 -3.282 0.000) 19.915 24.992 ( 3.534 1.478 0.000) 3.831 25.033 ( 1.596 -0.209 0.000) 1.609 25.251 ( -1.064 -1.741 0.000) 2.041 25.270 ( -0.573 -5.276 0.000) 5.307 26.449 ( 1.311 1.749 0.000) 2.186 26.466 ( 0.559 1.566 0.000) 1.663 26.543 ( -3.858 7.356 0.000) 8.306 26.679 ( -4.686 1.020 0.000) 4.796 26.714 ( -0.248 0.023 0.000) 0.249 26.752 ( 0.839 0.053 0.000) 0.840 26.916 ( -5.696 3.189 0.000) 6.528 27.111 ( -7.747 -2.005 0.000) 8.002 27.357 ( 2.976 0.017 0.000) 2.976 27.407 ( 2.578 -0.064 0.000) 2.578 27.516 ( 3.414 -0.542 0.000) 3.457 27.577 ( 2.373 -0.465 0.000) 2.418 28.725 ( 13.115 5.544 0.000) 14.239 28.811 ( 10.662 0.049 0.000) 10.662 28.838 ( 9.134 0.338 0.000) 9.140 29.130 ( 0.252 -2.432 0.000) 2.445 29.184 ( -0.891 -0.827 0.000) 1.216 29.225 ( 0.620 -2.345 0.000) 2.426 29.391 ( 1.281 8.646 0.000) 8.741 29.924 ( -0.426 1.247 0.000) 1.317 29.975 ( -1.263 -6.576 0.000) 6.696 29.995 ( -13.968 -1.582 0.000) 14.058 30.096 ( -3.110 -3.549 0.000) 4.719 30.256 ( -9.808 -3.603 0.000) 10.449 ======================= Grid point 10 (8/36) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 10.835 -0.657 0.000) 10.855 1.525 ( 6.565 1.470 0.000) 6.727 1.638 ( 8.027 4.133 0.000) 9.028 1.695 ( 8.424 0.896 0.000) 8.472 1.764 ( -2.298 -0.839 0.000) 2.447 1.793 ( 1.914 2.259 0.000) 2.961 1.881 ( 0.025 1.533 0.000) 1.533 1.894 ( -1.602 -2.599 0.000) 3.053 1.918 ( 1.402 -0.307 0.000) 1.435 1.955 ( -3.867 2.252 0.000) 4.475 2.011 ( 1.022 -0.490 0.000) 1.134 2.044 ( -0.460 0.007 0.000) 0.460 2.125 ( -2.282 2.600 0.000) 3.459 2.178 ( 0.715 -1.965 0.000) 2.091 2.201 ( -1.590 -1.406 0.000) 2.123 2.335 ( -6.450 -4.484 0.000) 7.855 2.411 ( 0.866 0.385 0.000) 0.948 2.452 ( -3.295 -0.843 0.000) 3.402 2.614 ( 0.728 1.503 0.000) 1.670 2.649 ( -2.429 -0.772 0.000) 2.549 2.787 ( 2.686 -2.359 0.000) 3.575 2.827 ( -1.338 -2.825 0.000) 3.126 3.178 ( 6.707 2.857 0.000) 7.290 3.281 ( -2.951 -0.628 0.000) 3.018 3.473 ( -2.702 2.247 0.000) 3.514 3.544 ( -7.572 -0.308 0.000) 7.578 4.017 ( 9.854 5.935 0.000) 11.503 4.146 ( 4.460 2.365 0.000) 5.049 4.382 ( 0.093 -0.740 0.000) 0.745 4.406 ( -11.252 2.495 0.000) 11.525 4.582 ( 6.469 -2.487 0.000) 6.930 4.758 ( -7.282 -3.071 0.000) 7.903 4.924 ( 2.557 -10.413 0.000) 10.723 4.977 ( -4.439 -18.867 0.000) 19.382 5.523 ( 7.441 9.252 0.000) 11.873 5.557 ( 5.588 6.150 0.000) 8.309 5.733 ( 10.697 3.047 0.000) 11.122 5.881 ( 24.378 2.733 0.000) 24.531 5.893 ( -7.379 -3.734 0.000) 8.270 6.044 ( 22.571 -3.727 0.000) 22.877 6.206 ( 4.633 -3.292 0.000) 5.684 6.304 ( -0.987 -1.552 0.000) 1.839 6.485 ( 0.476 -10.576 0.000) 10.586 6.503 ( 11.755 10.930 0.000) 16.051 6.548 ( 7.978 -12.364 0.000) 14.714 6.864 ( 3.257 -2.380 0.000) 4.034 6.930 ( -13.674 9.950 0.000) 16.911 7.148 ( -13.641 4.590 0.000) 14.392 7.253 ( 5.955 2.356 0.000) 6.404 7.403 ( -7.572 0.463 0.000) 7.586 7.564 ( 5.563 7.972 0.000) 9.721 7.607 ( -0.497 6.403 0.000) 6.422 7.664 ( 0.513 -1.406 0.000) 1.497 7.737 ( -9.207 3.509 0.000) 9.853 8.214 ( 9.163 10.078 0.000) 13.621 8.229 ( 15.856 0.431 0.000) 15.862 8.234 ( 5.775 1.406 0.000) 5.943 8.340 ( -6.179 -3.741 0.000) 7.223 8.463 ( -0.905 8.561 0.000) 8.608 8.518 ( -0.023 6.374 0.000) 6.374 8.672 ( -8.605 0.345 0.000) 8.611 8.783 ( -8.839 -5.897 0.000) 10.626 8.864 ( 4.123 -0.205 0.000) 4.128 8.884 ( -0.795 4.483 0.000) 4.553 9.069 ( 5.321 -2.578 0.000) 5.913 9.130 ( -5.116 -6.203 0.000) 8.041 9.208 ( 1.420 4.338 0.000) 4.564 9.238 ( -3.726 2.194 0.000) 4.324 9.415 ( 6.441 -2.268 0.000) 6.829 9.586 ( -7.765 -11.445 0.000) 13.831 9.674 ( -0.001 -7.408 0.000) 7.408 9.773 ( -2.866 -6.416 0.000) 7.027 9.870 ( -3.957 -11.225 0.000) 11.902 9.879 ( -9.531 -16.296 0.000) 18.878 10.130 ( 8.014 2.672 0.000) 8.448 10.179 ( 0.894 3.110 0.000) 3.236 10.331 ( -8.153 6.302 0.000) 10.305 10.370 ( -2.178 10.714 0.000) 10.934 10.405 ( -7.660 4.579 0.000) 8.924 10.458 ( -2.673 6.411 0.000) 6.946 10.696 ( 1.038 -1.638 0.000) 1.939 10.704 ( 4.140 2.851 0.000) 5.026 10.985 ( -1.133 -5.406 0.000) 5.524 11.000 ( -2.243 -4.362 0.000) 4.905 11.126 ( 10.841 0.458 0.000) 10.851 11.185 ( 2.348 -1.314 0.000) 2.690 11.292 ( -1.248 -2.548 0.000) 2.837 11.333 ( 0.211 3.203 0.000) 3.210 11.342 ( -4.709 -0.522 0.000) 4.738 11.421 ( -1.306 -2.340 0.000) 2.680 11.445 ( 2.776 2.213 0.000) 3.550 11.495 ( -9.150 2.959 0.000) 9.616 11.574 ( -3.633 -0.805 0.000) 3.721 11.632 ( -9.145 -0.245 0.000) 9.148 11.828 ( 2.197 -0.936 0.000) 2.388 11.878 ( -1.165 1.783 0.000) 2.130 11.957 ( 5.428 -0.735 0.000) 5.478 12.057 ( -4.832 -4.431 0.000) 6.556 12.247 ( 4.260 2.576 0.000) 4.978 12.329 ( -4.356 3.626 0.000) 5.668 12.369 ( -1.590 6.420 0.000) 6.614 12.385 ( -1.877 -0.001 0.000) 1.877 12.826 ( 0.352 -2.431 0.000) 2.456 12.835 ( -0.132 -2.036 0.000) 2.040 13.218 ( 2.104 0.643 0.000) 2.200 13.239 ( -0.996 0.922 0.000) 1.358 13.657 ( -0.858 -3.809 0.000) 3.905 13.660 ( -1.240 -3.015 0.000) 3.260 13.901 ( 7.067 0.044 0.000) 7.067 13.982 ( 11.157 -4.554 0.000) 12.051 13.990 ( -1.106 -1.971 0.000) 2.260 14.171 ( -5.897 -8.011 0.000) 9.948 14.273 ( 4.290 -3.303 0.000) 5.414 14.276 ( 7.294 -4.449 0.000) 8.543 14.360 ( 5.491 7.924 0.000) 9.641 14.479 ( -2.852 3.642 0.000) 4.626 14.686 ( 4.203 9.010 0.000) 9.942 14.786 ( -4.268 9.547 0.000) 10.457 14.925 ( -2.240 -0.817 0.000) 2.384 14.958 ( -4.658 1.455 0.000) 4.880 15.406 ( 8.250 -5.454 0.000) 9.890 15.506 ( -5.694 -5.849 0.000) 8.163 15.533 ( 7.447 -2.119 0.000) 7.742 15.733 ( -8.493 -10.467 0.000) 13.479 15.804 ( 2.218 -3.900 0.000) 4.486 15.863 ( -2.071 -7.838 0.000) 8.107 16.353 ( 4.276 4.074 0.000) 5.906 16.379 ( 2.123 3.785 0.000) 4.340 16.541 ( 2.983 4.910 0.000) 5.745 16.562 ( 1.080 -2.090 0.000) 2.352 16.788 ( 6.329 -3.811 0.000) 7.388 16.828 ( 1.394 2.140 0.000) 2.554 17.064 ( -0.420 4.559 0.000) 4.578 17.087 ( 0.315 3.037 0.000) 3.054 17.162 ( -0.710 4.370 0.000) 4.427 17.210 ( -6.316 1.163 0.000) 6.422 17.561 ( 4.641 -2.337 0.000) 5.197 17.624 ( -1.256 -2.888 0.000) 3.150 17.697 ( 0.668 2.316 0.000) 2.410 17.783 ( -6.907 -0.044 0.000) 6.907 18.493 ( 0.218 -0.416 0.000) 0.469 18.500 ( -0.375 -0.436 0.000) 0.575 18.779 ( 0.458 4.183 0.000) 4.208 18.823 ( -3.046 -0.211 0.000) 3.053 19.142 ( 0.926 -2.415 0.000) 2.586 19.165 ( 2.959 -0.962 0.000) 3.111 19.384 ( 3.404 8.041 0.000) 8.732 19.624 ( -14.033 3.039 0.000) 14.358 20.319 ( 0.533 -0.919 0.000) 1.062 20.328 ( -1.838 -0.859 0.000) 2.028 20.362 ( 1.098 1.590 0.000) 1.932 20.545 ( -14.297 -2.142 0.000) 14.456 25.049 ( 1.709 1.184 0.000) 2.080 25.059 ( 0.618 0.599 0.000) 0.861 25.239 ( -0.015 -2.048 0.000) 2.048 25.250 ( -0.976 -3.183 0.000) 3.330 26.470 ( 0.663 1.063 0.000) 1.253 26.475 ( 0.210 1.108 0.000) 1.127 26.520 ( 1.269 3.154 0.000) 3.400 26.582 ( -4.254 1.233 0.000) 4.429 26.725 ( 1.490 0.245 0.000) 1.510 26.768 ( -1.333 -0.728 0.000) 1.519 26.848 ( 1.444 2.677 0.000) 3.042 26.952 ( -7.047 -0.363 0.000) 7.056 27.414 ( 2.217 0.560 0.000) 2.286 27.438 ( 0.163 0.783 0.000) 0.800 27.577 ( 2.294 -1.582 0.000) 2.786 27.602 ( 0.003 -1.318 0.000) 1.318 28.951 ( 6.642 1.850 0.000) 6.895 28.968 ( 3.809 -0.044 0.000) 3.809 28.998 ( 6.754 3.812 0.000) 7.755 29.107 ( -2.527 1.817 0.000) 3.112 29.171 ( -0.132 -1.311 0.000) 1.318 29.198 ( -2.678 -0.052 0.000) 2.678 29.485 ( 7.919 4.801 0.000) 9.261 29.700 ( -12.559 1.511 0.000) 12.649 29.934 ( 1.706 -2.440 0.000) 2.977 29.974 ( -0.703 -7.291 0.000) 7.325 30.051 ( -1.238 -3.882 0.000) 4.075 30.081 ( -5.649 -1.352 0.000) 5.808 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 13.830 0.000) 13.830 1.048 ( 0.000 0.391 0.000) 0.391 1.138 ( 0.000 18.030 0.000) 18.030 1.288 ( 0.000 0.163 0.000) 0.163 1.291 ( 0.000 -0.206 0.000) 0.206 1.493 ( 0.000 -13.738 0.000) 13.738 1.726 ( 0.000 4.046 0.000) 4.046 1.793 ( 0.000 30.303 0.000) 30.303 1.802 ( 0.000 -3.443 0.000) 3.443 1.975 ( 0.000 0.427 0.000) 0.427 2.066 ( 0.000 3.403 0.000) 3.403 2.118 ( 0.000 6.959 0.000) 6.959 2.231 ( 0.000 -3.222 0.000) 3.222 2.300 ( 0.000 -10.407 0.000) 10.407 2.458 ( 0.000 -0.247 0.000) 0.247 2.492 ( 0.000 -2.803 0.000) 2.803 2.502 ( 0.000 -2.226 0.000) 2.226 2.520 ( 0.000 -3.024 0.000) 3.024 2.621 ( 0.000 8.687 0.000) 8.687 2.709 ( 0.000 -1.528 0.000) 1.528 2.754 ( 0.000 -0.309 0.000) 0.309 2.766 ( 0.000 -1.812 0.000) 1.812 2.950 ( 0.000 11.765 0.000) 11.765 2.965 ( 0.000 5.192 0.000) 5.192 3.079 ( 0.000 -6.895 0.000) 6.895 3.287 ( 0.000 -21.003 0.000) 21.003 3.863 ( 0.000 4.251 0.000) 4.251 3.950 ( 0.000 -3.787 0.000) 3.787 4.050 ( 0.000 18.680 0.000) 18.680 4.409 ( 0.000 -15.968 0.000) 15.968 4.607 ( 0.000 10.901 0.000) 10.901 4.662 ( 0.000 11.433 0.000) 11.433 4.703 ( 0.000 7.125 0.000) 7.125 4.828 ( 0.000 -5.777 0.000) 5.777 4.868 ( 0.000 -8.394 0.000) 8.394 4.938 ( 0.000 -8.638 0.000) 8.638 5.050 ( 0.000 20.051 0.000) 20.051 5.446 ( 0.000 -19.638 0.000) 19.638 5.538 ( 0.000 7.329 0.000) 7.329 5.763 ( 0.000 -16.973 0.000) 16.973 6.012 ( 0.000 4.107 0.000) 4.107 6.106 ( 0.000 -6.384 0.000) 6.384 6.116 ( 0.000 12.544 0.000) 12.544 6.353 ( 0.000 -11.913 0.000) 11.913 6.547 ( 0.000 -2.491 0.000) 2.491 6.646 ( 0.000 -9.351 0.000) 9.351 6.721 ( 0.000 1.587 0.000) 1.587 6.855 ( 0.000 -11.129 0.000) 11.129 6.941 ( 0.000 12.298 0.000) 12.298 7.224 ( 0.000 -13.045 0.000) 13.045 7.325 ( 0.000 -6.529 0.000) 6.529 7.329 ( 0.000 -1.385 0.000) 1.385 7.661 ( 0.000 3.595 0.000) 3.595 7.738 ( 0.000 -4.415 0.000) 4.415 8.207 ( 0.000 9.180 0.000) 9.180 8.212 ( 0.000 9.166 0.000) 9.166 8.372 ( 0.000 6.103 0.000) 6.103 8.386 ( 0.000 2.246 0.000) 2.246 8.587 ( 0.000 2.264 0.000) 2.264 8.606 ( 0.000 -1.334 0.000) 1.334 8.836 ( 0.000 16.733 0.000) 16.733 9.007 ( 0.000 17.857 0.000) 17.857 9.103 ( 0.000 -13.245 0.000) 13.245 9.141 ( 0.000 5.383 0.000) 5.383 9.208 ( 0.000 5.560 0.000) 5.560 9.248 ( 0.000 8.258 0.000) 8.258 9.289 ( 0.000 8.372 0.000) 8.372 9.344 ( 0.000 -7.472 0.000) 7.472 9.467 ( 0.000 -1.448 0.000) 1.448 9.477 ( 0.000 -13.186 0.000) 13.186 9.554 ( 0.000 -20.621 0.000) 20.621 9.637 ( 0.000 -12.847 0.000) 12.847 10.052 ( 0.000 18.997 0.000) 18.997 10.258 ( 0.000 -1.700 0.000) 1.700 10.258 ( 0.000 11.860 0.000) 11.860 10.269 ( 0.000 6.539 0.000) 6.539 10.420 ( 0.000 -9.431 0.000) 9.431 10.500 ( 0.000 2.463 0.000) 2.463 10.599 ( 0.000 -10.388 0.000) 10.388 10.768 ( 0.000 -11.582 0.000) 11.582 10.899 ( 0.000 6.645 0.000) 6.645 11.002 ( 0.000 -3.741 0.000) 3.741 11.075 ( 0.000 11.387 0.000) 11.387 11.237 ( 0.000 -4.227 0.000) 4.227 11.273 ( 0.000 10.980 0.000) 10.980 11.448 ( 0.000 2.513 0.000) 2.513 11.460 ( 0.000 0.239 0.000) 0.239 11.460 ( 0.000 -6.040 0.000) 6.040 11.532 ( 0.000 5.483 0.000) 5.483 11.617 ( 0.000 -2.836 0.000) 2.836 11.656 ( 0.000 -0.278 0.000) 0.278 11.721 ( 0.000 -8.015 0.000) 8.015 11.731 ( 0.000 -5.735 0.000) 5.735 11.737 ( 0.000 -6.680 0.000) 6.680 11.862 ( 0.000 4.936 0.000) 4.936 11.936 ( 0.000 -1.917 0.000) 1.917 12.134 ( 0.000 6.373 0.000) 6.373 12.285 ( 0.000 -6.441 0.000) 6.441 12.369 ( 0.000 0.960 0.000) 0.960 12.376 ( 0.000 3.556 0.000) 3.556 12.378 ( 0.000 -0.226 0.000) 0.226 12.478 ( 0.000 -9.487 0.000) 9.487 12.922 ( 0.000 0.617 0.000) 0.617 12.928 ( 0.000 8.909 0.000) 8.909 12.977 ( 0.000 -4.964 0.000) 4.964 13.052 ( 0.000 3.523 0.000) 3.523 13.090 ( 0.000 1.186 0.000) 1.186 13.096 ( 0.000 -7.341 0.000) 7.341 13.268 ( 0.000 2.582 0.000) 2.582 13.342 ( 0.000 -4.965 0.000) 4.965 13.698 ( 0.000 9.045 0.000) 9.045 13.870 ( 0.000 -9.171 0.000) 9.171 14.062 ( 0.000 17.226 0.000) 17.226 14.355 ( 0.000 -12.017 0.000) 12.017 14.555 ( 0.000 7.081 0.000) 7.081 14.616 ( 0.000 -1.825 0.000) 1.825 14.723 ( 0.000 5.723 0.000) 5.723 14.834 ( 0.000 3.277 0.000) 3.277 14.900 ( 0.000 -2.268 0.000) 2.268 14.904 ( 0.000 -10.635 0.000) 10.635 15.240 ( 0.000 5.088 0.000) 5.088 15.343 ( 0.000 -5.070 0.000) 5.070 15.543 ( 0.000 6.810 0.000) 6.810 15.645 ( 0.000 -3.597 0.000) 3.597 15.786 ( 0.000 3.215 0.000) 3.215 15.818 ( 0.000 0.856 0.000) 0.856 16.109 ( 0.000 -4.500 0.000) 4.500 16.115 ( 0.000 -4.366 0.000) 4.366 16.313 ( 0.000 -0.008 0.000) 0.008 16.339 ( 0.000 -2.665 0.000) 2.665 16.734 ( 0.000 5.048 0.000) 5.048 16.828 ( 0.000 -4.615 0.000) 4.615 16.947 ( 0.000 12.096 0.000) 12.096 17.032 ( 0.000 9.108 0.000) 9.108 17.162 ( 0.000 -4.546 0.000) 4.546 17.188 ( 0.000 -13.254 0.000) 13.254 17.538 ( 0.000 1.153 0.000) 1.153 17.563 ( 0.000 -1.231 0.000) 1.231 18.017 ( 0.000 9.794 0.000) 9.794 18.200 ( 0.000 -9.570 0.000) 9.570 18.471 ( 0.000 1.675 0.000) 1.675 18.494 ( 0.000 -1.044 0.000) 1.044 18.636 ( 0.000 3.725 0.000) 3.725 18.689 ( 0.000 -1.741 0.000) 1.741 19.560 ( 0.000 1.764 0.000) 1.764 19.593 ( 0.000 5.107 0.000) 5.107 19.598 ( 0.000 -2.122 0.000) 2.122 19.713 ( 0.000 -7.498 0.000) 7.498 20.470 ( 0.000 1.718 0.000) 1.718 20.496 ( 0.000 -1.088 0.000) 1.088 21.248 ( 0.000 6.781 0.000) 6.781 21.372 ( 0.000 -6.044 0.000) 6.044 24.916 ( 0.000 2.074 0.000) 2.074 24.956 ( 0.000 -2.140 0.000) 2.140 25.180 ( 0.000 3.099 0.000) 3.099 25.240 ( 0.000 -3.156 0.000) 3.156 26.476 ( 0.000 2.807 0.000) 2.807 26.495 ( 0.000 0.893 0.000) 0.893 26.724 ( 0.000 -0.173 0.000) 0.173 26.725 ( 0.000 -0.363 0.000) 0.363 26.872 ( 0.000 5.870 0.000) 5.870 27.006 ( 0.000 -7.732 0.000) 7.732 27.138 ( 0.000 2.495 0.000) 2.495 27.195 ( 0.000 -3.352 0.000) 3.352 27.354 ( 0.000 -0.073 0.000) 0.073 27.360 ( 0.000 -0.923 0.000) 0.923 27.397 ( 0.000 3.875 0.000) 3.875 27.450 ( 0.000 -1.601 0.000) 1.601 28.407 ( 0.000 3.577 0.000) 3.577 28.455 ( 0.000 -1.338 0.000) 1.338 28.568 ( 0.000 0.454 0.000) 0.454 28.597 ( 0.000 -2.472 0.000) 2.472 29.212 ( 0.000 0.556 0.000) 0.556 29.228 ( 0.000 -1.092 0.000) 1.092 29.575 ( 0.000 13.068 0.000) 13.068 29.813 ( 0.000 -11.664 0.000) 11.664 30.065 ( 0.000 8.227 0.000) 8.227 30.240 ( 0.000 -9.956 0.000) 9.956 30.393 ( 0.000 3.558 0.000) 3.558 30.462 ( 0.000 -3.569 0.000) 3.569 ======================= Grid point 15 (10/36) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 10.557 10.994 0.000) 15.242 1.178 ( 9.204 2.866 0.000) 9.639 1.262 ( 10.490 12.883 0.000) 16.614 1.396 ( 11.557 0.618 0.000) 11.573 1.417 ( 13.974 -0.974 0.000) 14.008 1.550 ( 5.096 -11.232 0.000) 12.334 1.726 ( 0.220 10.748 0.000) 10.751 1.823 ( 3.619 14.642 0.000) 15.082 1.825 ( 1.257 -3.334 0.000) 3.563 1.968 ( -0.434 -0.410 0.000) 0.597 2.066 ( 0.227 2.570 0.000) 2.580 2.120 ( -0.907 5.044 0.000) 5.125 2.250 ( -3.750 -6.199 0.000) 7.245 2.253 ( -3.650 -8.704 0.000) 9.439 2.416 ( -3.528 0.205 0.000) 3.534 2.432 ( -4.407 -3.204 0.000) 5.448 2.556 ( 3.393 -0.767 0.000) 3.479 2.560 ( 2.017 -1.304 0.000) 2.402 2.667 ( -3.749 -0.427 0.000) 3.774 2.671 ( -4.389 -1.388 0.000) 4.604 2.746 ( -2.002 -0.079 0.000) 2.003 2.759 ( 2.812 -1.723 0.000) 3.298 3.023 ( 4.924 6.007 0.000) 7.768 3.143 ( 4.913 -6.530 0.000) 8.171 3.347 ( 37.681 12.185 0.000) 39.603 3.662 ( 30.572 -17.826 0.000) 35.389 3.866 ( 1.316 -0.565 0.000) 1.432 3.871 ( -6.109 0.667 0.000) 6.145 4.087 ( 2.156 11.276 0.000) 11.480 4.239 ( -14.243 -2.562 0.000) 14.472 4.579 ( -0.323 7.971 0.000) 7.977 4.667 ( 0.644 6.985 0.000) 7.015 4.708 ( 0.514 -10.093 0.000) 10.106 4.804 ( 4.424 2.097 0.000) 4.896 4.934 ( 3.880 5.987 0.000) 7.134 5.011 ( 7.473 -9.831 0.000) 12.349 5.209 ( 11.206 7.200 0.000) 13.319 5.382 ( -1.699 -8.249 0.000) 8.422 5.681 ( 11.741 4.107 0.000) 12.438 5.851 ( 5.070 -13.754 0.000) 14.659 5.992 ( -1.828 3.705 0.000) 4.132 6.034 ( 0.662 -1.208 0.000) 1.377 6.309 ( 3.680 5.524 0.000) 6.638 6.449 ( 3.178 -6.724 0.000) 7.437 6.626 ( 6.118 -7.610 0.000) 9.765 6.648 ( 1.042 -6.944 0.000) 7.022 6.772 ( 9.159 1.373 0.000) 9.261 6.835 ( 4.805 -5.125 0.000) 7.025 7.074 ( 10.637 8.864 0.000) 13.846 7.279 ( 3.346 -5.857 0.000) 6.746 7.312 ( -0.904 0.187 0.000) 0.923 7.396 ( 7.220 -15.194 0.000) 16.822 7.690 ( 2.934 3.988 0.000) 4.951 7.770 ( 3.429 -4.388 0.000) 5.569 8.189 ( -3.756 9.946 0.000) 10.632 8.229 ( 0.848 8.742 0.000) 8.783 8.300 ( -6.697 0.602 0.000) 6.724 8.323 ( -3.283 1.341 0.000) 3.546 8.619 ( 2.790 4.909 0.000) 5.646 8.619 ( 3.407 5.249 0.000) 6.258 8.831 ( 0.036 11.415 0.000) 11.415 8.955 ( -7.030 -3.184 0.000) 7.718 8.981 ( -3.104 15.836 0.000) 16.137 9.155 ( -5.345 2.770 0.000) 6.021 9.157 ( -2.685 8.518 0.000) 8.931 9.265 ( 0.974 -5.602 0.000) 5.686 9.332 ( 3.560 4.262 0.000) 5.553 9.395 ( -4.030 4.420 0.000) 5.981 9.446 ( -3.079 -10.961 0.000) 11.385 9.493 ( -1.640 -17.533 0.000) 17.610 9.535 ( 5.757 -11.082 0.000) 12.488 9.601 ( -1.498 -10.953 0.000) 11.055 10.077 ( -3.044 9.436 0.000) 9.915 10.161 ( -7.850 7.403 0.000) 10.790 10.204 ( -8.056 2.868 0.000) 8.551 10.250 ( -9.702 -7.678 0.000) 12.372 10.300 ( 6.654 11.758 0.000) 13.510 10.459 ( 2.571 -2.024 0.000) 3.272 10.720 ( 5.420 -6.274 0.000) 8.291 10.773 ( 0.677 -8.854 0.000) 8.880 10.835 ( -5.161 4.952 0.000) 7.152 10.916 ( -12.378 -3.523 0.000) 12.870 11.040 ( -3.596 8.462 0.000) 9.194 11.095 ( -10.008 7.189 0.000) 12.323 11.204 ( -12.662 -1.896 0.000) 12.803 11.245 ( -12.572 -0.275 0.000) 12.575 11.299 ( 0.241 6.826 0.000) 6.831 11.417 ( -3.561 -2.874 0.000) 4.576 11.560 ( -4.747 2.314 0.000) 5.281 11.611 ( 0.035 3.039 0.000) 3.039 11.623 ( -1.010 -4.383 0.000) 4.498 11.687 ( -3.727 -3.824 0.000) 5.340 11.741 ( 0.148 -5.506 0.000) 5.508 11.767 ( -0.018 -8.454 0.000) 8.454 11.912 ( -3.421 7.480 0.000) 8.225 12.001 ( -5.071 1.687 0.000) 5.344 12.036 ( -2.283 -0.039 0.000) 2.283 12.108 ( 5.930 -11.075 0.000) 12.563 12.123 ( -15.014 1.700 0.000) 15.110 12.200 ( -5.332 -6.385 0.000) 8.319 12.497 ( 5.033 7.956 0.000) 9.414 12.600 ( 3.651 -2.076 0.000) 4.200 12.852 ( -2.890 3.695 0.000) 4.691 12.893 ( -4.358 -0.464 0.000) 4.383 12.990 ( 4.656 7.724 0.000) 9.018 13.159 ( 9.597 -9.942 0.000) 13.818 13.368 ( 3.703 -0.779 0.000) 3.784 13.368 ( 9.391 -0.961 0.000) 9.440 13.526 ( 23.054 -0.253 0.000) 23.056 13.550 ( 27.297 -3.168 0.000) 27.480 13.741 ( 3.681 6.294 0.000) 7.291 13.871 ( 0.576 -6.688 0.000) 6.713 14.010 ( -3.104 14.550 0.000) 14.878 14.248 ( -6.928 -9.826 0.000) 12.023 14.504 ( -8.349 3.957 0.000) 9.239 14.548 ( -5.988 -1.041 0.000) 6.078 14.748 ( 11.901 10.424 0.000) 15.821 14.932 ( 0.682 -1.504 0.000) 1.652 14.942 ( 1.496 0.317 0.000) 1.529 15.009 ( 5.662 -13.316 0.000) 14.469 15.213 ( 1.630 4.729 0.000) 5.002 15.289 ( -0.776 -0.143 0.000) 0.790 15.403 ( -8.145 2.496 0.000) 8.519 15.516 ( -3.078 -6.809 0.000) 7.472 16.045 ( 12.796 5.240 0.000) 13.827 16.100 ( 7.713 -0.229 0.000) 7.717 16.140 ( 9.154 -2.967 0.000) 9.623 16.142 ( -8.080 3.195 0.000) 8.689 16.197 ( 4.634 -7.614 0.000) 8.913 16.222 ( -6.230 -4.336 0.000) 7.590 16.804 ( -0.064 7.192 0.000) 7.193 16.856 ( 6.876 1.159 0.000) 6.973 17.021 ( 0.129 7.957 0.000) 7.958 17.088 ( 8.325 2.876 0.000) 8.807 17.134 ( -2.072 -4.477 0.000) 4.933 17.212 ( 1.874 -9.827 0.000) 10.004 17.511 ( -2.133 1.602 0.000) 2.667 17.556 ( -0.474 -2.658 0.000) 2.700 17.955 ( -5.097 8.094 0.000) 9.565 18.092 ( -8.213 -5.961 0.000) 10.148 18.492 ( 1.147 0.852 0.000) 1.429 18.503 ( 0.147 -0.367 0.000) 0.395 18.681 ( 4.312 4.140 0.000) 5.977 18.752 ( 4.626 -3.142 0.000) 5.593 19.457 ( -10.195 3.958 0.000) 10.937 19.474 ( -7.385 4.721 0.000) 8.765 19.561 ( -3.185 2.438 0.000) 4.011 19.726 ( -1.029 -12.132 0.000) 12.176 20.428 ( -3.519 1.744 0.000) 3.927 20.456 ( -3.477 -1.237 0.000) 3.691 21.029 ( -17.429 10.414 0.000) 20.303 21.191 ( -15.697 -7.028 0.000) 17.199 24.949 ( 2.881 1.565 0.000) 3.279 24.978 ( 1.981 -1.530 0.000) 2.503 25.196 ( 0.902 0.687 0.000) 1.133 25.232 ( -0.754 -2.586 0.000) 2.693 26.476 ( 0.104 2.256 0.000) 2.258 26.491 ( -0.246 0.795 0.000) 0.832 26.715 ( -1.057 0.069 0.000) 1.059 26.718 ( -0.582 -0.229 0.000) 0.626 26.817 ( -4.646 3.630 0.000) 5.896 26.868 ( -9.481 -0.277 0.000) 9.485 27.095 ( -4.129 3.630 0.000) 5.498 27.169 ( -3.382 -4.113 0.000) 5.325 27.324 ( -0.322 0.366 0.000) 0.488 27.338 ( 0.709 -1.198 0.000) 1.392 27.463 ( 3.762 2.414 0.000) 4.470 27.502 ( 3.378 -1.356 0.000) 3.641 28.558 ( 12.225 4.402 0.000) 12.994 28.588 ( 9.963 0.056 0.000) 9.963 28.665 ( 8.929 2.766 0.000) 9.348 28.792 ( 14.979 -9.741 0.000) 17.867 29.199 ( -1.150 0.167 0.000) 1.162 29.209 ( -1.596 -0.838 0.000) 1.803 29.581 ( 0.401 12.458 0.000) 12.465 29.811 ( -0.215 -11.373 0.000) 11.375 30.032 ( -3.020 6.396 0.000) 7.073 30.165 ( -7.135 -7.292 0.000) 10.202 30.265 ( -9.991 4.514 0.000) 10.964 30.357 ( -8.843 -4.996 0.000) 10.157 ======================= Grid point 16 (11/36) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 10.766 7.113 0.000) 12.904 1.372 ( 9.354 -0.798 0.000) 9.388 1.507 ( 11.760 7.299 0.000) 13.841 1.623 ( 4.894 2.591 0.000) 5.538 1.687 ( 13.645 4.397 0.000) 14.336 1.721 ( 6.881 -0.046 0.000) 6.881 1.825 ( 10.437 -5.282 0.000) 11.697 1.832 ( -0.755 -3.896 0.000) 3.968 1.893 ( 2.613 5.029 0.000) 5.668 1.956 ( -1.156 -0.854 0.000) 1.438 2.060 ( -4.048 2.262 0.000) 4.637 2.072 ( -0.552 1.995 0.000) 2.070 2.119 ( -6.083 -1.462 0.000) 6.256 2.190 ( -1.844 -4.604 0.000) 4.959 2.329 ( -5.335 -1.144 0.000) 5.456 2.333 ( -4.858 -3.497 0.000) 5.986 2.502 ( -6.302 2.884 0.000) 6.931 2.537 ( -6.676 -0.959 0.000) 6.744 2.627 ( 1.813 -1.404 0.000) 2.293 2.630 ( 1.031 -2.434 0.000) 2.643 2.723 ( 0.200 2.105 0.000) 2.114 2.780 ( -0.156 -3.642 0.000) 3.645 3.136 ( 5.503 5.665 0.000) 7.898 3.233 ( 3.174 -4.612 0.000) 5.598 3.677 ( -6.780 1.059 0.000) 6.862 3.686 ( -11.245 0.114 0.000) 11.246 4.042 ( 8.648 8.806 0.000) 12.342 4.084 ( 2.170 3.912 0.000) 4.474 4.178 ( 13.968 2.925 0.000) 14.271 4.415 ( 24.102 -20.767 0.000) 31.815 4.610 ( 0.684 5.261 0.000) 5.305 4.667 ( -5.596 -3.110 0.000) 6.402 4.722 ( 4.526 -0.704 0.000) 4.580 4.804 ( -4.061 -5.383 0.000) 6.743 5.179 ( 23.155 5.992 0.000) 23.917 5.220 ( 17.589 -0.526 0.000) 17.597 5.481 ( 14.078 7.038 0.000) 15.739 5.595 ( 18.770 -2.224 0.000) 18.901 5.883 ( 2.433 2.676 0.000) 3.617 5.904 ( 0.423 -4.393 0.000) 4.414 6.055 ( 11.149 -6.719 0.000) 13.017 6.060 ( 4.006 -4.205 0.000) 5.808 6.263 ( -3.644 9.240 0.000) 9.933 6.447 ( -3.768 -8.385 0.000) 9.193 6.589 ( -2.151 3.122 0.000) 3.791 6.688 ( 2.985 -5.746 0.000) 6.475 7.067 ( 13.197 4.043 0.000) 13.802 7.164 ( 14.336 -4.936 0.000) 15.162 7.230 ( 2.857 6.359 0.000) 6.972 7.328 ( 3.471 -6.160 0.000) 7.070 7.416 ( 12.233 3.046 0.000) 12.607 7.594 ( 8.241 -10.043 0.000) 12.992 7.806 ( 10.914 1.756 0.000) 11.054 7.848 ( 1.747 -0.544 0.000) 1.830 8.033 ( -9.432 8.642 0.000) 12.792 8.144 ( -3.535 0.031 0.000) 3.536 8.249 ( -1.194 1.805 0.000) 2.164 8.291 ( -1.099 -1.504 0.000) 1.863 8.694 ( 1.000 12.328 0.000) 12.369 8.719 ( 3.976 14.628 0.000) 15.158 8.841 ( -2.190 2.587 0.000) 3.389 8.848 ( -1.429 -2.868 0.000) 3.205 8.898 ( 0.481 3.452 0.000) 3.486 9.053 ( -7.790 -11.304 0.000) 13.728 9.091 ( -4.627 11.653 0.000) 12.538 9.103 ( -11.076 5.899 0.000) 12.549 9.317 ( -4.575 8.731 0.000) 9.857 9.358 ( -0.198 3.319 0.000) 3.325 9.366 ( -2.001 -13.498 0.000) 13.646 9.425 ( -2.985 -9.490 0.000) 9.949 9.579 ( -2.980 -16.590 0.000) 16.856 9.591 ( -0.644 -11.770 0.000) 11.788 9.904 ( -12.605 3.823 0.000) 13.172 9.972 ( -13.194 -3.504 0.000) 13.651 10.094 ( 4.163 7.079 0.000) 8.212 10.209 ( 4.664 -4.491 0.000) 6.475 10.494 ( 7.007 9.917 0.000) 12.143 10.543 ( -10.106 6.114 0.000) 11.812 10.590 ( 0.300 2.216 0.000) 2.236 10.649 ( -7.348 -3.656 0.000) 8.207 10.717 ( -6.692 0.733 0.000) 6.732 10.729 ( -10.773 -0.575 0.000) 10.789 10.941 ( -4.121 -2.195 0.000) 4.669 10.977 ( -1.949 -2.142 0.000) 2.896 11.029 ( -2.670 0.267 0.000) 2.684 11.087 ( 0.887 -4.972 0.000) 5.050 11.331 ( 1.585 0.691 0.000) 1.729 11.358 ( -2.055 -0.368 0.000) 2.087 11.458 ( -4.805 5.511 0.000) 7.311 11.486 ( -6.262 2.529 0.000) 6.753 11.531 ( -5.710 -0.561 0.000) 5.738 11.586 ( -4.946 -7.966 0.000) 9.376 11.720 ( -4.505 -0.446 0.000) 4.527 11.742 ( -3.049 -3.090 0.000) 4.342 11.868 ( -4.605 2.285 0.000) 5.141 11.885 ( -2.583 -0.279 0.000) 2.598 11.936 ( 0.743 7.104 0.000) 7.143 12.073 ( -3.641 -6.267 0.000) 7.248 12.176 ( 7.693 4.617 0.000) 8.973 12.284 ( 5.139 -6.325 0.000) 8.150 12.493 ( -3.807 4.302 0.000) 5.744 12.545 ( -5.718 0.153 0.000) 5.720 12.812 ( -0.949 -0.413 0.000) 1.035 12.818 ( -2.547 -0.822 0.000) 2.676 13.158 ( 7.350 5.884 0.000) 9.415 13.263 ( 0.415 -3.861 0.000) 3.883 13.529 ( 7.549 -1.902 0.000) 7.785 13.548 ( 6.542 -2.939 0.000) 7.171 13.798 ( 5.841 3.194 0.000) 6.657 13.873 ( 4.697 6.617 0.000) 8.115 13.879 ( 5.218 -5.160 0.000) 7.338 13.999 ( 9.692 -5.890 0.000) 11.341 14.038 ( 8.174 3.059 0.000) 8.727 14.133 ( -2.335 -7.325 0.000) 7.689 14.425 ( 1.290 6.471 0.000) 6.598 14.499 ( 1.254 -1.093 0.000) 1.664 14.803 ( -3.784 5.259 0.000) 6.479 14.854 ( -1.989 -0.386 0.000) 2.026 15.068 ( 11.104 6.810 0.000) 13.026 15.162 ( -6.075 5.587 0.000) 8.253 15.227 ( -6.763 1.812 0.000) 7.002 15.279 ( 11.087 -16.500 0.000) 19.879 15.364 ( 4.953 -0.170 0.000) 4.956 15.497 ( -0.196 -10.819 0.000) 10.821 15.901 ( -9.385 2.326 0.000) 9.669 15.937 ( -9.562 -2.198 0.000) 9.811 16.281 ( 7.169 1.531 0.000) 7.331 16.281 ( 6.558 0.894 0.000) 6.618 16.395 ( 11.358 -0.463 0.000) 11.367 16.452 ( 13.063 -4.588 0.000) 13.845 16.782 ( -2.722 9.691 0.000) 10.066 16.880 ( -2.566 0.728 0.000) 2.667 17.090 ( 3.346 -0.456 0.000) 3.377 17.105 ( -0.521 -2.598 0.000) 2.650 17.218 ( 3.929 2.714 0.000) 4.775 17.251 ( 1.817 -1.852 0.000) 2.595 17.480 ( -0.030 1.774 0.000) 1.774 17.550 ( 0.029 -4.750 0.000) 4.750 17.838 ( -5.664 5.417 0.000) 7.838 17.920 ( -7.913 -2.993 0.000) 8.460 18.497 ( -0.474 0.237 0.000) 0.530 18.501 ( -0.157 -0.124 0.000) 0.200 18.785 ( 4.468 2.044 0.000) 4.913 18.827 ( 2.011 -1.382 0.000) 2.440 19.245 ( -9.208 4.724 0.000) 10.349 19.291 ( -9.216 2.290 0.000) 9.496 19.499 ( -1.324 6.148 0.000) 6.289 19.683 ( -2.058 -11.158 0.000) 11.347 20.349 ( -3.559 1.164 0.000) 3.744 20.372 ( -4.066 -1.268 0.000) 4.259 20.660 ( -16.346 9.585 0.000) 18.949 20.815 ( -18.573 -6.728 0.000) 19.754 25.019 ( 3.449 1.080 0.000) 3.614 25.029 ( 2.652 -0.241 0.000) 2.663 25.202 ( -0.243 -1.379 0.000) 1.400 25.213 ( -0.962 -1.903 0.000) 2.132 26.482 ( 0.428 1.351 0.000) 1.417 26.490 ( 0.154 0.604 0.000) 0.623 26.651 ( -5.138 3.591 0.000) 6.269 26.686 ( -4.004 -0.616 0.000) 4.051 26.729 ( -1.513 1.508 0.000) 2.136 26.750 ( -1.064 -0.520 0.000) 1.184 26.988 ( -5.535 4.044 0.000) 6.854 27.059 ( -6.378 -3.443 0.000) 7.248 27.363 ( 3.302 0.827 0.000) 3.405 27.389 ( 3.443 -1.663 0.000) 3.824 27.525 ( 2.060 1.564 0.000) 2.586 27.558 ( 1.756 -1.550 0.000) 2.342 28.809 ( 10.527 1.129 0.000) 10.588 28.813 ( 10.399 0.079 0.000) 10.399 28.901 ( 12.177 7.962 0.000) 14.549 29.055 ( 8.798 -6.721 0.000) 11.071 29.169 ( -1.559 -0.528 0.000) 1.646 29.176 ( -1.002 -1.669 0.000) 1.947 29.586 ( 0.143 11.667 0.000) 11.668 29.804 ( -0.478 -11.043 0.000) 11.053 29.946 ( -5.088 0.791 0.000) 5.150 29.965 ( -11.019 -1.452 0.000) 11.114 30.081 ( -6.278 2.657 0.000) 6.817 30.167 ( -8.208 -5.470 0.000) 9.864 ======================= Grid point 17 (12/36) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 7.992 2.443 0.000) 8.357 1.531 ( 4.302 -1.687 0.000) 4.621 1.704 ( 6.157 1.036 0.000) 6.244 1.704 ( 2.904 2.113 0.000) 3.591 1.781 ( -2.445 1.633 0.000) 2.940 1.822 ( 2.940 -2.401 0.000) 3.795 1.854 ( -4.575 1.980 0.000) 4.985 1.896 ( -3.352 -1.313 0.000) 3.600 1.926 ( 8.828 2.887 0.000) 9.288 1.983 ( 1.690 -0.881 0.000) 1.905 2.010 ( -1.323 0.610 0.000) 1.457 2.039 ( 0.270 -1.765 0.000) 1.785 2.128 ( 3.651 0.889 0.000) 3.757 2.172 ( -0.685 1.763 0.000) 1.892 2.195 ( -5.333 -0.166 0.000) 5.335 2.224 ( -5.218 -6.467 0.000) 8.309 2.423 ( -1.226 0.626 0.000) 1.377 2.434 ( -2.455 -0.810 0.000) 2.585 2.642 ( 0.013 0.249 0.000) 0.250 2.642 ( -0.067 0.996 0.000) 0.998 2.747 ( 1.521 -1.041 0.000) 1.844 2.770 ( -0.713 -2.861 0.000) 2.948 3.236 ( 3.715 2.818 0.000) 4.663 3.270 ( 0.425 -0.873 0.000) 0.971 3.511 ( -4.140 1.622 0.000) 4.447 3.534 ( -5.543 -0.868 0.000) 5.610 4.164 ( 7.540 8.043 0.000) 11.025 4.198 ( 6.482 2.582 0.000) 6.978 4.360 ( 3.114 0.609 0.000) 3.173 4.465 ( -11.246 2.729 0.000) 11.572 4.540 ( -4.883 -2.631 0.000) 5.546 4.547 ( -3.435 -15.147 0.000) 15.532 4.797 ( 1.975 -1.902 0.000) 2.742 4.799 ( 2.061 -2.713 0.000) 3.407 5.625 ( 8.767 3.262 0.000) 9.354 5.659 ( 9.770 2.494 0.000) 10.083 5.811 ( 3.180 -1.207 0.000) 3.402 5.841 ( 5.633 4.727 0.000) 7.354 5.908 ( 19.745 0.557 0.000) 19.753 5.983 ( 10.828 -3.499 0.000) 11.379 6.141 ( -3.046 -1.058 0.000) 3.225 6.241 ( 6.248 -9.455 0.000) 11.333 6.311 ( -7.173 -0.907 0.000) 7.230 6.359 ( 4.504 -6.010 0.000) 7.510 6.684 ( 12.068 7.151 0.000) 14.028 6.790 ( 6.223 -4.755 0.000) 7.832 7.148 ( -0.911 9.757 0.000) 9.799 7.207 ( -3.924 1.511 0.000) 4.205 7.322 ( 2.298 3.362 0.000) 4.072 7.397 ( -3.535 -2.743 0.000) 4.475 7.611 ( 4.419 3.532 0.000) 5.657 7.680 ( -0.643 -0.739 0.000) 0.980 7.825 ( -0.145 9.474 0.000) 9.475 7.850 ( -4.194 10.138 0.000) 10.971 8.147 ( 12.446 -9.159 0.000) 15.453 8.185 ( -0.162 -7.335 0.000) 7.337 8.265 ( 10.139 -0.164 0.000) 10.141 8.269 ( 4.263 -0.616 0.000) 4.307 8.562 ( -10.022 3.539 0.000) 10.629 8.654 ( -16.915 -5.138 0.000) 17.678 8.732 ( -2.567 10.031 0.000) 10.354 8.784 ( -5.968 4.219 0.000) 7.309 8.915 ( 2.076 -0.646 0.000) 2.174 8.980 ( 1.273 -8.091 0.000) 8.190 9.045 ( 5.261 13.569 0.000) 14.553 9.114 ( 8.106 14.204 0.000) 16.354 9.244 ( -3.861 -0.536 0.000) 3.898 9.317 ( -4.867 6.401 0.000) 8.041 9.361 ( 1.544 -4.401 0.000) 4.664 9.399 ( -0.081 -6.092 0.000) 6.093 9.513 ( -1.679 -19.588 0.000) 19.660 9.575 ( -1.226 -14.181 0.000) 14.234 9.628 ( -10.689 -1.111 0.000) 10.746 9.685 ( -11.953 -4.768 0.000) 12.869 10.218 ( 5.700 4.396 0.000) 7.198 10.242 ( 0.839 2.089 0.000) 2.251 10.416 ( -4.932 2.649 0.000) 5.598 10.437 ( -10.082 0.704 0.000) 10.106 10.502 ( -1.284 1.336 0.000) 1.853 10.505 ( -2.307 0.435 0.000) 2.348 10.707 ( 4.424 1.760 0.000) 4.761 10.726 ( 2.518 -1.062 0.000) 2.733 10.904 ( -0.830 -2.639 0.000) 2.767 10.919 ( 0.075 -1.909 0.000) 1.910 11.136 ( 5.527 0.429 0.000) 5.544 11.158 ( 3.365 -1.993 0.000) 3.911 11.275 ( -2.667 2.444 0.000) 3.617 11.334 ( -2.695 -2.021 0.000) 3.368 11.395 ( -2.085 0.963 0.000) 2.297 11.401 ( -0.654 2.350 0.000) 2.439 11.476 ( -0.044 1.542 0.000) 1.542 11.520 ( -2.817 -1.727 0.000) 3.305 11.564 ( -5.071 1.517 0.000) 5.293 11.609 ( -6.835 -2.263 0.000) 7.200 11.858 ( 1.986 2.454 0.000) 3.157 11.889 ( 0.418 -0.882 0.000) 0.976 11.955 ( 0.692 1.028 0.000) 1.239 11.989 ( -3.702 -2.390 0.000) 4.407 12.307 ( 4.741 3.549 0.000) 5.922 12.362 ( 2.162 -1.677 0.000) 2.737 12.407 ( -3.296 3.200 0.000) 4.594 12.441 ( -3.887 0.636 0.000) 3.939 12.783 ( -0.714 -1.429 0.000) 1.598 12.790 ( -1.114 -2.045 0.000) 2.329 13.243 ( 1.597 1.663 0.000) 2.305 13.257 ( -0.338 0.463 0.000) 0.573 13.598 ( 0.709 -1.786 0.000) 1.922 13.604 ( 0.065 -2.241 0.000) 2.242 13.920 ( 1.932 0.761 0.000) 2.077 13.924 ( 5.216 0.587 0.000) 5.249 13.938 ( 0.253 -2.591 0.000) 2.604 14.013 ( -3.040 -7.164 0.000) 7.782 14.231 ( 7.225 -0.407 0.000) 7.236 14.244 ( 6.048 -1.181 0.000) 6.162 14.491 ( 3.334 4.960 0.000) 5.976 14.529 ( 0.067 0.824 0.000) 0.827 14.824 ( 5.079 5.202 0.000) 7.271 14.866 ( 3.595 0.328 0.000) 3.610 14.991 ( -9.406 4.843 0.000) 10.580 15.002 ( -8.065 2.518 0.000) 8.449 15.317 ( 5.841 -2.317 0.000) 6.284 15.380 ( -0.745 -7.299 0.000) 7.337 15.460 ( 3.766 -2.781 0.000) 4.682 15.501 ( 0.020 -8.432 0.000) 8.432 15.788 ( -1.371 0.877 0.000) 1.628 15.808 ( -2.970 -1.292 0.000) 3.239 16.385 ( 2.855 -0.201 0.000) 2.862 16.388 ( 2.747 -0.752 0.000) 2.848 16.588 ( 6.664 4.558 0.000) 8.074 16.658 ( 3.651 1.933 0.000) 4.131 16.730 ( 1.279 1.257 0.000) 1.793 16.822 ( -3.284 -3.568 0.000) 4.850 17.093 ( -0.782 0.056 0.000) 0.784 17.094 ( -1.250 -0.497 0.000) 1.345 17.266 ( 1.121 4.313 0.000) 4.456 17.277 ( 0.219 3.275 0.000) 3.283 17.525 ( 3.580 -0.662 0.000) 3.640 17.558 ( 0.457 -3.612 0.000) 3.641 17.740 ( -2.963 2.139 0.000) 3.655 17.772 ( -5.775 -1.188 0.000) 5.896 18.490 ( -0.106 0.085 0.000) 0.135 18.493 ( -0.372 -0.264 0.000) 0.456 18.834 ( 0.579 1.165 0.000) 1.301 18.840 ( -0.219 1.392 0.000) 1.409 19.113 ( -2.893 -0.101 0.000) 2.895 19.136 ( -4.892 -1.934 0.000) 5.260 19.547 ( 5.345 7.991 0.000) 9.614 19.645 ( -2.749 -1.912 0.000) 3.348 20.306 ( -0.170 -0.245 0.000) 0.298 20.311 ( -1.331 -0.720 0.000) 1.513 20.411 ( -6.021 3.655 0.000) 7.043 20.486 ( -11.773 -3.956 0.000) 12.420 25.074 ( 1.484 1.048 0.000) 1.817 25.074 ( 1.341 0.814 0.000) 1.569 25.195 ( -0.229 -1.907 0.000) 1.921 25.197 ( -0.476 -1.864 0.000) 1.924 26.490 ( 0.300 0.777 0.000) 0.833 26.493 ( 0.047 0.522 0.000) 0.525 26.577 ( -1.339 2.346 0.000) 2.701 26.598 ( -3.163 0.091 0.000) 3.164 26.736 ( 1.304 0.919 0.000) 1.596 26.754 ( 0.252 -0.828 0.000) 0.865 26.900 ( -1.885 2.535 0.000) 3.159 26.936 ( -4.729 -1.356 0.000) 4.919 27.431 ( 2.645 1.191 0.000) 2.901 27.448 ( 1.412 -0.133 0.000) 1.418 27.552 ( 0.924 -0.373 0.000) 0.997 27.571 ( -0.475 -1.822 0.000) 1.883 28.966 ( 4.109 0.319 0.000) 4.121 28.969 ( 3.898 -0.013 0.000) 3.898 29.109 ( 6.528 6.392 0.000) 9.136 29.129 ( 0.251 0.677 0.000) 0.722 29.145 ( -0.027 -1.207 0.000) 1.207 29.191 ( 0.319 -1.832 0.000) 1.859 29.613 ( 3.437 8.729 0.000) 9.382 29.739 ( -7.942 1.595 0.000) 8.100 29.813 ( -0.391 -8.071 0.000) 8.080 29.848 ( -3.548 -5.824 0.000) 6.820 30.013 ( -0.775 0.155 0.000) 0.790 30.041 ( -3.673 -2.392 0.000) 4.383 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 0.000 25.873) 25.873 0.658 ( 0.000 0.000 30.791) 30.791 1.132 ( 0.000 0.000 33.682) 33.682 1.195 ( 0.000 0.000 1.617) 1.617 1.265 ( 0.000 0.000 -1.962) 1.962 1.361 ( 0.000 0.000 18.432) 18.432 1.555 ( 0.000 0.000 3.344) 3.344 1.809 ( 0.000 0.000 2.185) 2.185 1.884 ( 0.000 0.000 1.129) 1.129 1.907 ( 0.000 0.000 -4.257) 4.257 1.928 ( 0.000 0.000 0.007) 0.007 2.040 ( 0.000 0.000 -1.938) 1.938 2.223 ( 0.000 0.000 8.242) 8.242 2.292 ( 0.000 0.000 -4.497) 4.497 2.463 ( 0.000 0.000 3.472) 3.472 2.497 ( 0.000 0.000 -3.642) 3.642 2.543 ( 0.000 0.000 -0.895) 0.895 2.641 ( 0.000 0.000 1.902) 1.902 2.680 ( 0.000 0.000 3.907) 3.907 2.712 ( 0.000 0.000 0.406) 0.406 2.764 ( 0.000 0.000 -0.239) 0.239 2.811 ( 0.000 0.000 -3.950) 3.950 2.817 ( 0.000 0.000 -1.358) 1.358 2.840 ( 0.000 0.000 0.856) 0.856 3.182 ( 0.000 0.000 -5.817) 5.817 3.563 ( 0.000 0.000 -11.126) 11.126 3.775 ( 0.000 0.000 -0.863) 0.863 3.970 ( 0.000 0.000 4.448) 4.448 4.192 ( 0.000 0.000 -9.307) 9.307 4.198 ( 0.000 0.000 -9.100) 9.100 4.226 ( 0.000 0.000 -5.396) 5.396 4.680 ( 0.000 0.000 -17.995) 17.995 4.705 ( 0.000 0.000 22.187) 22.187 4.721 ( 0.000 0.000 4.769) 4.769 4.740 ( 0.000 0.000 8.939) 8.939 5.169 ( 0.000 0.000 5.449) 5.449 5.244 ( 0.000 0.000 4.618) 4.618 5.651 ( 0.000 0.000 16.403) 16.403 5.804 ( 0.000 0.000 -2.687) 2.687 5.938 ( 0.000 0.000 9.589) 9.589 6.021 ( 0.000 0.000 2.636) 2.636 6.154 ( 0.000 0.000 -3.754) 3.754 6.307 ( 0.000 0.000 -11.708) 11.708 6.632 ( 0.000 0.000 -5.123) 5.123 6.695 ( 0.000 0.000 17.743) 17.743 6.757 ( 0.000 0.000 9.127) 9.127 6.781 ( 0.000 0.000 -5.427) 5.427 7.069 ( 0.000 0.000 -28.001) 28.001 7.143 ( 0.000 0.000 4.176) 4.176 7.315 ( 0.000 0.000 -15.377) 15.377 7.365 ( 0.000 0.000 -7.771) 7.771 7.465 ( 0.000 0.000 -11.867) 11.867 7.614 ( 0.000 0.000 0.129) 0.129 7.675 ( 0.000 0.000 -12.007) 12.007 7.781 ( 0.000 0.000 -11.784) 11.784 7.907 ( 0.000 0.000 -2.562) 2.562 8.125 ( 0.000 0.000 11.579) 11.579 8.180 ( 0.000 0.000 14.996) 14.996 8.285 ( 0.000 0.000 0.789) 0.789 8.451 ( 0.000 0.000 4.584) 4.584 8.721 ( 0.000 0.000 13.720) 13.720 8.734 ( 0.000 0.000 -5.436) 5.436 8.933 ( 0.000 0.000 -0.974) 0.974 8.973 ( 0.000 0.000 -1.997) 1.997 9.078 ( 0.000 0.000 5.431) 5.431 9.404 ( 0.000 0.000 -7.508) 7.508 9.425 ( 0.000 0.000 7.692) 7.692 9.455 ( 0.000 0.000 15.831) 15.831 9.613 ( 0.000 0.000 10.109) 10.109 9.645 ( 0.000 0.000 3.769) 3.769 9.791 ( 0.000 0.000 -0.923) 0.923 9.852 ( 0.000 0.000 -7.266) 7.266 9.932 ( 0.000 0.000 -5.860) 5.860 9.982 ( 0.000 0.000 0.979) 0.979 10.097 ( 0.000 0.000 -6.488) 6.488 10.171 ( 0.000 0.000 -14.315) 14.315 10.424 ( 0.000 0.000 -10.709) 10.709 10.474 ( 0.000 0.000 -1.986) 1.986 10.656 ( 0.000 0.000 -1.453) 1.453 10.773 ( 0.000 0.000 -5.476) 5.476 10.907 ( 0.000 0.000 -1.937) 1.937 11.005 ( 0.000 0.000 -11.363) 11.363 11.014 ( 0.000 0.000 6.606) 6.606 11.064 ( 0.000 0.000 0.122) 0.122 11.137 ( 0.000 0.000 3.533) 3.533 11.166 ( 0.000 0.000 -16.839) 16.839 11.382 ( 0.000 0.000 1.981) 1.981 11.429 ( 0.000 0.000 6.273) 6.273 11.430 ( 0.000 0.000 -0.459) 0.459 11.526 ( 0.000 0.000 -13.460) 13.460 11.646 ( 0.000 0.000 -5.855) 5.855 11.814 ( 0.000 0.000 10.890) 10.890 11.873 ( 0.000 0.000 25.041) 25.041 11.896 ( 0.000 0.000 9.939) 9.939 11.998 ( 0.000 0.000 -7.497) 7.497 12.024 ( 0.000 0.000 -2.457) 2.457 12.246 ( 0.000 0.000 7.160) 7.160 12.299 ( 0.000 0.000 14.331) 14.331 12.338 ( 0.000 0.000 -3.474) 3.474 12.348 ( 0.000 0.000 4.222) 4.222 12.627 ( 0.000 0.000 16.207) 16.207 12.674 ( 0.000 0.000 5.689) 5.689 12.820 ( 0.000 0.000 7.923) 7.923 12.924 ( 0.000 0.000 1.191) 1.191 12.925 ( 0.000 0.000 -1.916) 1.916 13.003 ( 0.000 0.000 -5.514) 5.514 13.021 ( 0.000 0.000 5.985) 5.985 13.349 ( 0.000 0.000 -4.122) 4.122 13.352 ( 0.000 0.000 -18.883) 18.883 13.530 ( 0.000 0.000 3.789) 3.789 13.560 ( 0.000 0.000 13.167) 13.167 13.844 ( 0.000 0.000 2.018) 2.018 14.095 ( 0.000 0.000 -0.820) 0.820 14.229 ( 0.000 0.000 -4.028) 4.028 14.385 ( 0.000 0.000 2.878) 2.878 14.488 ( 0.000 0.000 13.838) 13.838 14.495 ( 0.000 0.000 -13.663) 13.663 14.745 ( 0.000 0.000 -25.756) 25.756 14.758 ( 0.000 0.000 -12.604) 12.604 15.049 ( 0.000 0.000 -6.383) 6.383 15.091 ( 0.000 0.000 -5.911) 5.911 15.263 ( 0.000 0.000 5.844) 5.844 15.552 ( 0.000 0.000 -7.099) 7.099 15.591 ( 0.000 0.000 10.784) 10.784 15.934 ( 0.000 0.000 11.052) 11.052 15.944 ( 0.000 0.000 -5.732) 5.732 16.137 ( 0.000 0.000 -16.869) 16.869 16.293 ( 0.000 0.000 -3.299) 3.299 16.363 ( 0.000 0.000 -4.720) 4.720 16.486 ( 0.000 0.000 -7.067) 7.067 16.498 ( 0.000 0.000 13.374) 13.374 16.680 ( 0.000 0.000 1.621) 1.621 16.696 ( 0.000 0.000 5.059) 5.059 17.039 ( 0.000 0.000 17.097) 17.097 17.386 ( 0.000 0.000 12.750) 12.750 17.395 ( 0.000 0.000 -13.185) 13.185 17.497 ( 0.000 0.000 -2.233) 2.233 17.539 ( 0.000 0.000 -3.433) 3.433 17.704 ( 0.000 0.000 -4.984) 4.984 17.939 ( 0.000 0.000 -2.734) 2.734 18.567 ( 0.000 0.000 4.497) 4.497 18.611 ( 0.000 0.000 8.518) 8.518 18.774 ( 0.000 0.000 4.771) 4.771 19.227 ( 0.000 0.000 -5.706) 5.706 19.486 ( 0.000 0.000 -1.015) 1.015 19.543 ( 0.000 0.000 1.272) 1.272 19.650 ( 0.000 0.000 -0.563) 0.563 19.695 ( 0.000 0.000 -2.504) 2.504 20.430 ( 0.000 0.000 1.797) 1.797 20.532 ( 0.000 0.000 -0.666) 0.666 20.639 ( 0.000 0.000 11.501) 11.501 21.431 ( 0.000 0.000 -6.291) 6.291 24.893 ( 0.000 0.000 2.001) 2.001 25.033 ( 0.000 0.000 2.765) 2.765 25.087 ( 0.000 0.000 -2.439) 2.439 25.299 ( 0.000 0.000 -3.293) 3.293 26.384 ( 0.000 0.000 0.952) 0.952 26.457 ( 0.000 0.000 2.485) 2.485 26.458 ( 0.000 0.000 -0.737) 0.737 26.715 ( 0.000 0.000 -3.079) 3.079 26.806 ( 0.000 0.000 2.824) 2.824 27.119 ( 0.000 0.000 2.236) 2.236 27.138 ( 0.000 0.000 -6.857) 6.857 27.337 ( 0.000 0.000 -4.374) 4.374 27.379 ( 0.000 0.000 1.905) 1.905 27.391 ( 0.000 0.000 4.155) 4.155 27.562 ( 0.000 0.000 6.178) 6.178 27.838 ( 0.000 0.000 -1.063) 1.063 28.494 ( 0.000 0.000 2.345) 2.345 28.587 ( 0.000 0.000 1.073) 1.073 28.625 ( 0.000 0.000 -0.105) 0.105 28.659 ( 0.000 0.000 -0.430) 0.430 29.213 ( 0.000 0.000 -2.103) 2.103 29.226 ( 0.000 0.000 -3.250) 3.250 29.294 ( 0.000 0.000 3.656) 3.656 29.829 ( 0.000 0.000 -7.375) 7.375 30.103 ( 0.000 0.000 4.689) 4.689 30.124 ( 0.000 0.000 4.922) 4.922 30.446 ( 0.000 0.000 -2.856) 2.856 30.492 ( 0.000 0.000 -4.298) 4.298 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 18.378 0.000 20.909) 27.838 0.916 ( 18.690 0.000 13.473) 23.040 1.233 ( 9.563 0.000 23.465) 25.338 1.280 ( 8.223 0.000 1.273) 8.320 1.382 ( 9.548 0.000 -1.480) 9.662 1.575 ( 10.078 0.000 8.033) 12.887 1.626 ( 13.990 0.000 5.948) 15.202 1.829 ( 1.772 0.000 1.529) 2.341 1.882 ( 0.265 0.000 0.755) 0.800 1.948 ( 2.626 0.000 -3.892) 4.695 1.948 ( 1.380 0.000 0.719) 1.556 2.019 ( 0.629 0.000 -2.210) 2.298 2.249 ( -3.652 0.000 -4.474) 5.776 2.393 ( -9.305 0.000 -2.064) 9.531 2.417 ( 0.647 0.000 1.572) 1.700 2.536 ( -2.022 0.000 -1.278) 2.392 2.616 ( -6.518 0.000 -0.168) 6.520 2.620 ( -3.180 0.000 0.964) 3.323 2.669 ( 2.024 0.000 2.366) 3.114 2.755 ( -4.618 0.000 -1.508) 4.858 2.772 ( 0.510 0.000 1.273) 1.372 2.845 ( 3.224 0.000 -2.259) 3.937 2.883 ( 2.321 0.000 1.542) 2.786 3.121 ( 30.952 0.000 -18.726) 36.176 3.254 ( 12.099 0.000 -6.759) 13.859 3.654 ( 6.612 0.000 -7.998) 10.377 3.904 ( -2.406 0.000 4.278) 4.909 4.130 ( 31.187 0.000 -1.928) 31.247 4.161 ( -18.742 0.000 -1.715) 18.821 4.281 ( -0.811 0.000 -0.606) 1.012 4.315 ( 11.267 0.000 -5.203) 12.411 4.470 ( 18.374 0.000 -9.136) 20.520 4.678 ( -3.487 0.000 15.694) 16.077 4.731 ( 8.460 0.000 18.597) 20.431 4.966 ( 8.715 0.000 -10.402) 13.570 5.134 ( -9.576 0.000 6.023) 11.313 5.223 ( 4.543 0.000 4.374) 6.307 5.739 ( -5.890 0.000 0.084) 5.891 5.795 ( 7.556 0.000 11.193) 13.505 5.900 ( -0.644 0.000 7.008) 7.038 5.988 ( -1.055 0.000 2.770) 2.964 6.159 ( 1.398 0.000 -1.856) 2.324 6.519 ( 14.051 0.000 -13.759) 19.665 6.563 ( -9.365 0.000 5.910) 11.074 6.658 ( 3.696 0.000 -1.773) 4.100 6.748 ( -4.488 0.000 1.788) 4.831 6.903 ( -3.310 0.000 -10.655) 11.157 7.004 ( 0.285 0.000 -2.477) 2.494 7.022 ( -3.681 0.000 -17.451) 17.835 7.223 ( 7.630 0.000 1.153) 7.716 7.413 ( 2.456 0.000 -6.160) 6.632 7.578 ( 2.630 0.000 -18.925) 19.107 7.610 ( -0.025 0.000 6.445) 6.445 7.791 ( 5.299 0.000 -7.100) 8.859 7.898 ( 12.514 0.000 -9.544) 15.738 8.000 ( 5.470 0.000 -0.768) 5.524 8.112 ( -8.279 0.000 4.268) 9.314 8.192 ( 4.593 0.000 11.090) 12.003 8.304 ( 5.182 0.000 11.769) 12.859 8.379 ( -3.744 0.000 2.239) 4.362 8.748 ( 0.831 0.000 -0.150) 0.845 8.825 ( 7.562 0.000 11.370) 13.655 8.883 ( -4.930 0.000 -2.574) 5.561 8.982 ( 1.270 0.000 -5.721) 5.860 9.125 ( 1.479 0.000 7.941) 8.078 9.321 ( -1.109 0.000 -9.957) 10.019 9.324 ( -6.570 0.000 9.163) 11.275 9.475 ( -2.328 0.000 10.158) 10.422 9.603 ( -4.918 0.000 1.783) 5.231 9.759 ( -3.294 0.000 -4.175) 5.319 9.799 ( 0.939 0.000 0.777) 1.219 9.924 ( 14.526 0.000 3.954) 15.055 9.950 ( 0.848 0.000 -5.216) 5.285 9.998 ( 3.074 0.000 1.437) 3.393 10.119 ( 0.733 0.000 -0.260) 0.778 10.166 ( 0.552 0.000 -12.358) 12.370 10.215 ( -8.379 0.000 6.933) 10.875 10.297 ( -8.199 0.000 -12.948) 15.326 10.633 ( -5.817 0.000 -1.260) 5.952 10.823 ( -12.012 0.000 6.252) 13.541 10.843 ( 2.805 0.000 -7.419) 7.932 10.914 ( -11.406 0.000 -1.363) 11.487 10.977 ( -1.633 0.000 0.731) 1.789 10.990 ( -4.365 0.000 -6.586) 7.901 10.997 ( -2.190 0.000 -0.837) 2.345 11.177 ( -0.117 0.000 -12.447) 12.448 11.297 ( -4.615 0.000 -4.983) 6.792 11.320 ( -4.082 0.000 2.868) 4.988 11.402 ( -15.428 0.000 -7.149) 17.004 11.417 ( -3.658 0.000 -1.231) 3.859 11.689 ( 5.706 0.000 -11.300) 12.659 11.769 ( -8.129 0.000 -7.800) 11.266 11.848 ( -2.085 0.000 14.869) 15.014 11.961 ( -0.064 0.000 9.562) 9.562 12.056 ( -14.698 0.000 10.655) 18.154 12.089 ( -8.737 0.000 2.213) 9.013 12.141 ( 9.410 0.000 2.208) 9.666 12.159 ( -0.857 0.000 -12.206) 12.236 12.260 ( -2.012 0.000 14.637) 14.775 12.517 ( -1.701 0.000 -0.911) 1.929 12.535 ( 1.195 0.000 11.548) 11.610 12.655 ( 0.376 0.000 14.783) 14.787 12.691 ( -7.839 0.000 11.467) 13.891 12.901 ( 7.501 0.000 0.694) 7.533 13.034 ( 2.334 0.000 -0.109) 2.337 13.305 ( 22.069 0.000 -1.397) 22.114 13.344 ( 4.215 0.000 -6.948) 8.127 13.424 ( 6.078 0.000 -7.682) 9.795 13.531 ( 1.067 0.000 -1.955) 2.227 13.578 ( 6.935 0.000 8.124) 10.681 13.661 ( 32.037 0.000 -4.158) 32.305 13.898 ( 8.224 0.000 6.061) 10.216 14.031 ( -3.114 0.000 4.406) 5.395 14.173 ( -4.501 0.000 -0.476) 4.526 14.361 ( -2.835 0.000 1.335) 3.134 14.545 ( -0.693 0.000 -8.114) 8.144 14.574 ( 1.816 0.000 -2.987) 3.496 14.816 ( 6.594 0.000 -15.208) 16.576 14.819 ( -3.073 0.000 5.824) 6.585 14.940 ( 5.860 0.000 -21.714) 22.491 15.155 ( -11.101 0.000 1.987) 11.278 15.338 ( 6.503 0.000 -6.777) 9.393 15.546 ( 13.851 0.000 -9.813) 16.975 15.825 ( 12.124 0.000 0.793) 12.150 15.862 ( -8.958 0.000 -8.409) 12.286 16.032 ( -1.399 0.000 -14.146) 14.215 16.098 ( 12.855 0.000 10.183) 16.400 16.231 ( -12.727 0.000 8.207) 15.144 16.303 ( -6.331 0.000 0.365) 6.341 16.537 ( 13.860 0.000 -9.555) 16.835 16.582 ( -2.491 0.000 -2.018) 3.205 16.711 ( 7.210 0.000 -1.330) 7.331 16.799 ( 4.038 0.000 4.731) 6.220 16.986 ( -3.306 0.000 11.725) 12.182 17.386 ( -1.099 0.000 -5.371) 5.482 17.429 ( 2.469 0.000 4.485) 5.119 17.471 ( -2.579 0.000 -2.188) 3.382 17.552 ( 1.830 0.000 -0.609) 1.929 17.669 ( -3.010 0.000 -5.342) 6.132 17.934 ( -0.826 0.000 -2.258) 2.404 18.562 ( -0.421 0.000 4.577) 4.596 18.655 ( 4.200 0.000 6.666) 7.879 18.768 ( -0.427 0.000 4.429) 4.450 19.017 ( -21.608 0.000 24.484) 32.655 19.190 ( -3.507 0.000 -5.483) 6.509 19.320 ( -10.417 0.000 -0.175) 10.418 19.591 ( -0.431 0.000 1.693) 1.747 20.031 ( 1.806 0.000 -12.886) 13.012 20.375 ( -3.024 0.000 -0.119) 3.027 20.450 ( -6.798 0.000 -0.697) 6.834 20.595 ( -4.697 0.000 9.314) 10.431 21.269 ( -14.559 0.000 -5.542) 15.578 24.920 ( 2.536 0.000 1.663) 3.032 25.040 ( 0.694 0.000 2.580) 2.672 25.174 ( 4.592 0.000 -8.350) 9.529 25.279 ( -1.643 0.000 -3.193) 3.591 26.395 ( 1.060 0.000 0.568) 1.203 26.450 ( -0.556 0.000 -0.560) 0.789 26.461 ( 0.316 0.000 2.135) 2.158 26.691 ( -2.159 0.000 -3.290) 3.935 26.793 ( -0.911 0.000 2.965) 3.102 27.006 ( -5.944 0.000 -1.284) 6.081 27.240 ( -1.740 0.000 3.163) 3.610 27.258 ( -12.379 0.000 12.611) 17.671 27.298 ( -5.396 0.000 1.096) 5.507 27.393 ( 3.288 0.000 -2.893) 4.379 27.478 ( -3.961 0.000 12.916) 13.510 27.592 ( 2.329 0.000 5.195) 5.693 28.472 ( 6.939 0.000 4.203) 8.112 28.582 ( 7.945 0.000 0.185) 7.947 28.694 ( 9.329 0.000 3.483) 9.958 29.117 ( 9.121 0.000 -6.549) 11.229 29.211 ( -0.678 0.000 -2.950) 3.027 29.218 ( 0.659 0.000 -2.328) 2.420 29.299 ( 0.366 0.000 3.300) 3.320 29.828 ( -0.036 0.000 -7.327) 7.327 29.961 ( -4.057 0.000 -1.457) 4.310 30.198 ( -0.208 0.000 2.498) 2.507 30.287 ( -12.643 0.000 -3.585) 13.142 30.447 ( -5.899 0.000 -2.995) 6.616 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 13.969 0.000 4.489) 14.673 1.287 ( 18.187 0.000 9.010) 20.297 1.481 ( 12.514 0.000 18.247) 22.126 1.499 ( 11.521 0.000 1.749) 11.653 1.594 ( 9.858 0.000 -2.041) 10.067 1.685 ( 5.181 0.000 1.479) 5.388 1.869 ( 1.390 0.000 -1.257) 1.874 1.901 ( 1.625 0.000 2.417) 2.913 1.924 ( 5.413 0.000 -4.889) 7.294 1.957 ( -1.914 0.000 -3.026) 3.580 1.977 ( 1.558 0.000 0.831) 1.766 2.064 ( 3.516 0.000 1.162) 3.703 2.172 ( -2.055 0.000 -2.395) 3.156 2.173 ( -10.958 0.000 -0.310) 10.963 2.395 ( -9.619 0.000 -0.927) 9.663 2.413 ( -1.623 0.000 1.111) 1.967 2.497 ( -3.457 0.000 1.215) 3.664 2.597 ( 0.653 0.000 1.186) 1.354 2.631 ( -6.260 0.000 2.642) 6.795 2.746 ( 2.269 0.000 1.634) 2.796 2.757 ( -0.212 0.000 1.893) 1.905 2.907 ( 0.047 0.000 2.664) 2.665 2.946 ( 6.644 0.000 -2.843) 7.227 3.264 ( 0.978 0.000 -6.352) 6.427 3.688 ( 13.776 0.000 -7.046) 15.473 3.705 ( -3.383 0.000 -1.657) 3.767 3.721 ( -17.291 0.000 4.697) 17.918 3.937 ( 6.202 0.000 0.204) 6.206 4.404 ( 9.154 0.000 -0.588) 9.173 4.508 ( -3.186 0.000 1.611) 3.571 4.765 ( 5.400 0.000 8.738) 10.272 4.793 ( 8.572 0.000 -4.303) 9.591 4.793 ( 14.587 0.000 -4.862) 15.376 5.062 ( 18.306 0.000 17.389) 25.248 5.119 ( 36.549 0.000 2.261) 36.619 5.183 ( 10.999 0.000 -3.208) 11.458 5.434 ( 16.498 0.000 -0.828) 16.519 5.552 ( -8.652 0.000 3.976) 9.521 5.851 ( -0.621 0.000 4.805) 4.845 5.915 ( 1.557 0.000 -0.011) 1.558 6.037 ( 8.734 0.000 2.478) 9.078 6.178 ( -3.139 0.000 3.937) 5.036 6.448 ( -0.677 0.000 -4.408) 4.460 6.537 ( -9.720 0.000 -15.356) 18.173 6.606 ( -5.784 0.000 5.252) 7.812 6.823 ( 9.781 0.000 1.348) 9.873 6.905 ( 6.875 0.000 -10.956) 12.935 6.931 ( 0.507 0.000 -17.950) 17.958 7.223 ( 5.765 0.000 -9.811) 11.380 7.452 ( 12.372 0.000 -2.742) 12.672 7.466 ( 1.852 0.000 -3.776) 4.206 7.579 ( -2.518 0.000 15.097) 15.305 7.698 ( 11.115 0.000 -10.976) 15.621 7.812 ( -19.623 0.000 2.081) 19.733 7.832 ( 1.277 0.000 -11.347) 11.419 8.029 ( -3.080 0.000 9.270) 9.768 8.186 ( 1.912 0.000 -2.353) 3.031 8.260 ( 12.239 0.000 11.499) 16.793 8.332 ( -2.399 0.000 -3.357) 4.126 8.473 ( 7.595 0.000 6.334) 9.889 8.745 ( -7.775 0.000 0.694) 7.806 8.823 ( 5.222 0.000 1.931) 5.567 9.009 ( 3.453 0.000 -5.696) 6.660 9.032 ( 7.813 0.000 6.943) 10.452 9.088 ( -5.213 0.000 -0.605) 5.248 9.190 ( -4.346 0.000 16.967) 17.515 9.295 ( -2.312 0.000 -4.478) 5.040 9.379 ( -3.744 0.000 5.019) 6.262 9.416 ( -10.439 0.000 2.651) 10.770 9.741 ( -2.617 0.000 -7.459) 7.905 9.806 ( 2.809 0.000 -2.876) 4.020 9.913 ( -6.134 0.000 -2.274) 6.542 9.965 ( -2.771 0.000 2.187) 3.530 10.067 ( -3.336 0.000 -1.470) 3.645 10.088 ( 2.760 0.000 -0.500) 2.805 10.113 ( -1.299 0.000 -6.284) 6.417 10.257 ( -0.858 0.000 -2.568) 2.707 10.385 ( 9.299 0.000 3.582) 9.965 10.443 ( -6.563 0.000 0.679) 6.598 10.650 ( -11.200 0.000 2.303) 11.434 10.733 ( -10.173 0.000 -0.206) 10.175 10.755 ( 2.800 0.000 -3.353) 4.368 10.840 ( -8.272 0.000 -0.818) 8.312 10.925 ( 2.632 0.000 -8.133) 8.548 11.015 ( -1.355 0.000 -5.074) 5.252 11.091 ( -12.699 0.000 -14.131) 18.999 11.192 ( -5.437 0.000 -8.095) 9.751 11.207 ( 3.495 0.000 -9.347) 9.979 11.284 ( 2.224 0.000 2.606) 3.426 11.351 ( -2.513 0.000 -5.307) 5.872 11.560 ( -4.836 0.000 -7.403) 8.843 11.742 ( -7.898 0.000 2.877) 8.406 11.758 ( -4.257 0.000 -8.055) 9.111 11.825 ( -9.241 0.000 14.691) 17.355 11.901 ( -9.311 0.000 5.403) 10.765 11.967 ( -9.690 0.000 6.415) 11.621 12.105 ( 8.469 0.000 6.569) 10.718 12.142 ( -2.552 0.000 -1.359) 2.891 12.253 ( -1.557 0.000 12.982) 13.075 12.474 ( -1.607 0.000 -5.989) 6.201 12.555 ( -3.935 0.000 16.259) 16.729 12.632 ( 2.848 0.000 16.709) 16.950 12.675 ( 2.201 0.000 8.006) 8.303 12.929 ( -3.120 0.000 -1.062) 3.295 13.071 ( 1.506 0.000 -6.195) 6.375 13.371 ( -1.825 0.000 8.990) 9.174 13.592 ( 4.377 0.000 -5.133) 6.745 13.597 ( 12.055 0.000 -9.020) 15.056 13.717 ( 14.035 0.000 3.581) 14.485 13.853 ( 16.118 0.000 2.403) 16.296 13.945 ( -4.288 0.000 6.912) 8.134 14.096 ( 6.504 0.000 -1.011) 6.582 14.162 ( 6.774 0.000 6.043) 9.078 14.253 ( 17.815 0.000 -2.092) 17.937 14.316 ( 1.023 0.000 -3.657) 3.797 14.489 ( -2.374 0.000 -8.271) 8.605 14.521 ( -1.326 0.000 1.327) 1.877 14.822 ( -11.294 0.000 3.041) 11.696 14.900 ( 0.437 0.000 -10.156) 10.165 14.994 ( 2.813 0.000 -7.171) 7.703 15.093 ( 15.817 0.000 4.820) 16.535 15.406 ( -0.524 0.000 -7.241) 7.260 15.666 ( -9.087 0.000 -8.259) 12.280 15.851 ( 11.454 0.000 -12.033) 16.613 15.982 ( -8.017 0.000 4.728) 9.307 16.012 ( -3.584 0.000 -10.837) 11.414 16.028 ( 4.236 0.000 -5.351) 6.824 16.127 ( -4.601 0.000 1.626) 4.880 16.394 ( 12.862 0.000 9.299) 15.872 16.582 ( 1.389 0.000 -2.603) 2.951 16.717 ( 1.141 0.000 -8.182) 8.261 16.825 ( 5.432 0.000 -2.510) 5.984 16.870 ( 3.924 0.000 4.341) 5.852 16.959 ( 2.085 0.000 8.104) 8.367 17.343 ( -3.186 0.000 2.712) 4.184 17.385 ( -5.910 0.000 -1.423) 6.079 17.474 ( 2.566 0.000 -1.702) 3.079 17.597 ( 1.502 0.000 -1.084) 1.852 17.606 ( -2.094 0.000 -5.444) 5.833 17.884 ( -4.507 0.000 -1.965) 4.917 18.555 ( -0.132 0.000 4.942) 4.944 18.680 ( -4.540 0.000 10.288) 11.246 18.764 ( 0.330 0.000 3.986) 4.000 18.888 ( 9.350 0.000 9.200) 13.117 19.064 ( -8.921 0.000 1.230) 9.006 19.149 ( -4.196 0.000 -3.693) 5.590 19.500 ( -7.939 0.000 2.262) 8.255 19.885 ( -13.100 0.000 -5.991) 14.404 20.323 ( -3.721 0.000 -0.600) 3.769 20.335 ( -1.422 0.000 -2.370) 2.763 20.469 ( -6.471 0.000 5.508) 8.497 20.900 ( -19.107 0.000 -3.809) 19.483 24.985 ( 3.351 0.000 1.018) 3.502 25.058 ( 0.854 0.000 2.039) 2.210 25.226 ( 0.782 0.000 -7.019) 7.063 25.244 ( -1.420 0.000 -2.917) 3.245 26.425 ( 1.631 0.000 0.047) 1.631 26.447 ( 0.557 0.000 -0.253) 0.612 26.468 ( 0.311 0.000 1.306) 1.342 26.631 ( -3.574 0.000 -2.851) 4.572 26.786 ( 0.691 0.000 2.620) 2.709 26.892 ( -4.765 0.000 0.524) 4.794 26.952 ( -9.027 0.000 15.553) 17.983 27.147 ( -8.519 0.000 1.517) 8.653 27.352 ( 4.703 0.000 0.442) 4.724 27.478 ( 0.665 0.000 6.392) 6.426 27.485 ( 4.972 0.000 -2.412) 5.527 27.634 ( 1.326 0.000 3.431) 3.679 28.692 ( 12.216 0.000 2.047) 12.387 28.781 ( 10.046 0.000 -1.263) 10.125 28.906 ( 9.174 0.000 4.976) 10.437 29.142 ( -2.141 0.000 -1.450) 2.585 29.222 ( 0.120 0.000 1.199) 1.205 29.260 ( 4.149 0.000 -2.808) 5.010 29.292 ( -1.551 0.000 4.420) 4.684 29.824 ( -1.220 0.000 -7.621) 7.718 29.938 ( 1.174 0.000 -7.284) 7.378 29.990 ( -13.609 0.000 -2.292) 13.801 30.152 ( -3.449 0.000 0.538) 3.491 30.269 ( -10.193 0.000 -1.972) 10.382 ======================= Grid point 38 (16/36) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 11.141 0.000 3.264) 11.609 1.588 ( 10.336 0.000 0.705) 10.360 1.654 ( 0.834 0.000 10.249) 10.283 1.680 ( 3.315 0.000 0.187) 3.320 1.771 ( 6.763 0.000 -2.352) 7.160 1.786 ( 4.251 0.000 1.210) 4.419 1.857 ( -4.063 0.000 -0.046) 4.063 1.859 ( -2.131 0.000 -1.668) 2.706 1.935 ( 0.702 0.000 1.517) 1.672 1.976 ( -5.104 0.000 0.701) 5.152 1.976 ( 1.187 0.000 -6.668) 6.773 2.032 ( -3.888 0.000 -4.021) 5.593 2.045 ( 4.464 0.000 2.580) 5.155 2.195 ( -9.082 0.000 1.087) 9.147 2.235 ( 4.855 0.000 -0.500) 4.880 2.336 ( -4.867 0.000 -1.955) 5.245 2.486 ( 1.251 0.000 5.348) 5.493 2.530 ( -3.215 0.000 6.279) 7.054 2.625 ( 2.160 0.000 2.159) 3.054 2.687 ( -3.558 0.000 2.498) 4.348 2.835 ( 3.442 0.000 2.029) 3.995 2.888 ( -1.775 0.000 2.894) 3.395 3.102 ( 7.610 0.000 -4.201) 8.693 3.230 ( -4.220 0.000 -5.334) 6.802 3.509 ( -2.635 0.000 5.850) 6.416 3.574 ( -7.018 0.000 2.817) 7.563 3.909 ( 9.966 0.000 -4.698) 11.018 4.067 ( -0.195 0.000 -6.225) 6.228 4.405 ( 1.229 0.000 5.410) 5.548 4.596 ( -11.273 0.000 15.046) 18.801 4.609 ( 9.794 0.000 -0.284) 9.799 4.776 ( -5.500 0.000 -0.654) 5.539 5.064 ( 8.405 0.000 -2.442) 8.752 5.246 ( -7.824 0.000 4.926) 9.246 5.373 ( 7.673 0.000 1.063) 7.746 5.518 ( -5.997 0.000 4.816) 7.691 5.754 ( 22.003 0.000 4.255) 22.411 5.840 ( 17.062 0.000 0.484) 17.069 6.002 ( -0.700 0.000 5.290) 5.336 6.121 ( 11.548 0.000 -8.348) 14.250 6.128 ( 15.606 0.000 1.866) 15.717 6.284 ( -0.262 0.000 -5.705) 5.711 6.326 ( 0.783 0.000 -2.109) 2.249 6.470 ( 16.070 0.000 -9.536) 18.687 6.733 ( 13.499 0.000 -0.694) 13.517 6.804 ( -9.283 0.000 -4.262) 10.214 6.853 ( -11.228 0.000 6.381) 12.915 7.126 ( 7.741 0.000 -17.184) 18.847 7.218 ( -28.098 0.000 8.067) 29.233 7.236 ( -3.017 0.000 -17.063) 17.328 7.530 ( 6.197 0.000 -4.443) 7.625 7.583 ( 4.681 0.000 11.881) 12.770 7.710 ( -1.086 0.000 7.059) 7.142 7.728 ( -9.113 0.000 -5.619) 10.706 8.021 ( 10.490 0.000 -10.377) 14.755 8.038 ( 12.056 0.000 3.848) 12.656 8.162 ( 1.760 0.000 -2.719) 3.239 8.232 ( -1.421 0.000 -1.635) 2.166 8.406 ( -16.011 0.000 -1.177) 16.054 8.443 ( -9.117 0.000 -1.560) 9.250 8.673 ( 10.533 0.000 1.283) 10.611 8.908 ( -9.704 0.000 -1.229) 9.781 8.926 ( 8.334 0.000 -2.418) 8.678 9.089 ( -3.096 0.000 -4.539) 5.494 9.094 ( -0.828 0.000 10.464) 10.496 9.121 ( -3.050 0.000 15.691) 15.984 9.285 ( 0.579 0.000 7.387) 7.410 9.304 ( 1.941 0.000 5.572) 5.901 9.478 ( 11.216 0.000 1.917) 11.378 9.687 ( 1.016 0.000 -6.267) 6.349 9.718 ( -11.058 0.000 -1.084) 11.111 9.784 ( -4.772 0.000 -7.372) 8.782 10.009 ( 3.992 0.000 2.062) 4.493 10.091 ( 4.309 0.000 0.718) 4.369 10.141 ( 1.779 0.000 0.505) 1.849 10.160 ( -8.240 0.000 -3.924) 9.127 10.168 ( 6.826 0.000 0.313) 6.833 10.196 ( -4.294 0.000 -2.082) 4.772 10.329 ( -10.727 0.000 1.888) 10.892 10.401 ( -14.667 0.000 1.697) 14.765 10.696 ( 1.842 0.000 -0.666) 1.958 10.757 ( -1.153 0.000 4.271) 4.424 10.950 ( 1.144 0.000 -10.829) 10.889 10.959 ( 4.442 0.000 -12.125) 12.913 10.965 ( -1.429 0.000 -8.436) 8.556 11.037 ( 13.628 0.000 -8.572) 16.100 11.099 ( -4.977 0.000 -8.445) 9.802 11.261 ( -5.974 0.000 -12.659) 13.998 11.330 ( 6.257 0.000 0.197) 6.260 11.396 ( 6.508 0.000 0.160) 6.510 11.516 ( 0.623 0.000 -0.040) 0.624 11.547 ( -9.040 0.000 1.998) 9.258 11.609 ( -7.840 0.000 4.089) 8.842 11.620 ( -9.704 0.000 8.918) 13.180 11.759 ( -2.119 0.000 -1.021) 2.352 11.801 ( -5.597 0.000 -0.186) 5.600 12.133 ( 1.669 0.000 2.463) 2.975 12.194 ( -3.541 0.000 8.375) 9.093 12.296 ( 7.865 0.000 6.467) 10.183 12.419 ( -4.103 0.000 3.025) 5.098 12.539 ( 1.972 0.000 19.197) 19.298 12.609 ( -3.741 0.000 18.108) 18.490 12.747 ( 4.313 0.000 -2.005) 4.756 12.840 ( -4.638 0.000 -4.240) 6.285 13.136 ( 5.273 0.000 -2.894) 6.015 13.272 ( -6.823 0.000 3.433) 7.638 13.696 ( 5.623 0.000 3.809) 6.791 13.822 ( -6.417 0.000 7.055) 9.537 13.851 ( 11.437 0.000 -7.313) 13.576 13.967 ( 9.984 0.000 -2.191) 10.221 14.026 ( -2.736 0.000 1.241) 3.004 14.099 ( -2.472 0.000 -8.861) 9.199 14.353 ( 7.712 0.000 8.260) 11.300 14.427 ( 5.950 0.000 -1.420) 6.117 14.436 ( 4.214 0.000 1.543) 4.487 14.495 ( -1.280 0.000 3.728) 3.941 14.532 ( 0.765 0.000 1.565) 1.742 14.610 ( -6.011 0.000 -3.353) 6.883 14.919 ( 2.860 0.000 -0.408) 2.889 15.002 ( -3.182 0.000 2.515) 4.056 15.391 ( 1.527 0.000 -6.991) 7.155 15.470 ( 17.409 0.000 -0.974) 17.437 15.493 ( -7.409 0.000 -6.596) 9.920 15.780 ( -12.562 0.000 -1.803) 12.691 15.891 ( 0.102 0.000 0.363) 0.377 15.942 ( -3.627 0.000 -9.142) 9.835 16.127 ( 6.208 0.000 -12.168) 13.660 16.174 ( 1.679 0.000 -8.133) 8.304 16.572 ( 3.927 0.000 3.233) 5.087 16.603 ( 0.167 0.000 -0.055) 0.176 16.732 ( 2.128 0.000 -4.760) 5.214 16.807 ( -4.176 0.000 -3.388) 5.378 17.014 ( 9.950 0.000 4.487) 10.915 17.102 ( 8.294 0.000 7.584) 11.239 17.225 ( -9.355 0.000 1.501) 9.474 17.250 ( -5.819 0.000 7.270) 9.312 17.539 ( 3.353 0.000 -4.335) 5.481 17.595 ( -1.657 0.000 -4.295) 4.603 17.618 ( 3.709 0.000 -4.426) 5.775 17.749 ( -7.750 0.000 -2.844) 8.255 18.563 ( 1.069 0.000 5.648) 5.748 18.601 ( -2.688 0.000 7.699) 8.155 18.793 ( 2.728 0.000 4.164) 4.978 18.891 ( -6.864 0.000 4.246) 8.071 19.145 ( 4.084 0.000 -1.988) 4.542 19.183 ( 17.166 0.000 1.001) 17.195 19.301 ( -9.902 0.000 0.881) 9.941 19.555 ( -17.804 0.000 -2.801) 18.023 20.318 ( 0.210 0.000 -0.786) 0.814 20.337 ( 5.393 0.000 -0.812) 5.454 20.358 ( -3.795 0.000 1.834) 4.215 20.544 ( -14.205 0.000 -2.012) 14.347 25.045 ( 2.086 0.000 0.796) 2.232 25.067 ( -0.154 0.000 1.282) 1.291 25.226 ( -0.333 0.000 -3.461) 3.477 25.227 ( -0.285 0.000 -4.061) 4.071 26.456 ( 1.189 0.000 0.014) 1.189 26.470 ( -0.194 0.000 0.450) 0.490 26.480 ( 2.643 0.000 -0.427) 2.677 26.551 ( -3.910 0.000 -1.481) 4.181 26.823 ( -1.577 0.000 3.603) 3.933 26.835 ( -2.891 0.000 8.167) 8.664 26.838 ( 4.509 0.000 1.773) 4.845 26.970 ( -7.967 0.000 1.385) 8.087 27.434 ( 3.075 0.000 2.462) 3.939 27.476 ( -1.015 0.000 4.357) 4.474 27.581 ( 3.928 0.000 -0.824) 4.013 27.636 ( -1.289 0.000 1.270) 1.810 28.927 ( 9.725 0.000 0.907) 9.768 28.956 ( 6.155 0.000 -0.236) 6.160 29.014 ( 0.942 0.000 2.505) 2.676 29.077 ( -4.653 0.000 -0.454) 4.676 29.218 ( 0.119 0.000 2.772) 2.775 29.244 ( -2.337 0.000 4.198) 4.805 29.407 ( 9.561 0.000 -2.858) 9.979 29.639 ( -12.687 0.000 -4.420) 13.435 29.921 ( 4.061 0.000 -2.790) 4.927 29.990 ( 3.497 0.000 -5.644) 6.640 30.062 ( -9.030 0.000 -1.780) 9.204 30.071 ( -4.147 0.000 -2.400) 4.791 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 12.576 16.500) 20.747 0.932 ( 0.000 20.189 21.301) 29.349 1.177 ( 0.000 -1.403 2.230) 2.634 1.264 ( 0.000 5.915 2.280) 6.339 1.267 ( 0.000 0.150 -1.871) 1.877 1.484 ( 0.000 18.182 31.545) 36.410 1.599 ( 0.000 3.872 2.792) 4.774 1.796 ( 0.000 -2.164 5.336) 5.758 1.863 ( 0.000 -1.441 1.569) 2.130 1.914 ( 0.000 -0.816 -2.945) 3.056 1.978 ( 0.000 6.437 -2.453) 6.888 2.017 ( 0.000 -0.997 -2.222) 2.436 2.275 ( 0.000 -0.728 0.144) 0.742 2.290 ( 0.000 4.072 1.929) 4.505 2.475 ( 0.000 -2.038 -2.686) 3.371 2.516 ( 0.000 6.395 5.333) 8.327 2.528 ( 0.000 -1.890 -0.827) 2.063 2.610 ( 0.000 -2.935 1.632) 3.358 2.653 ( 0.000 -2.688 4.484) 5.228 2.720 ( 0.000 0.597 0.349) 0.692 2.756 ( 0.000 -0.473 -0.471) 0.667 2.796 ( 0.000 -2.065 -1.186) 2.382 2.849 ( 0.000 3.494 -2.948) 4.571 2.861 ( 0.000 2.560 1.461) 2.948 3.137 ( 0.000 -4.479 -5.085) 6.776 3.655 ( 0.000 -12.079 1.959) 12.237 3.667 ( 0.000 11.060 -10.399) 15.180 4.032 ( 0.000 5.298 4.882) 7.204 4.057 ( 0.000 -4.333 10.987) 11.811 4.276 ( 0.000 5.205 -13.936) 14.876 4.404 ( 0.000 12.565 -5.612) 13.761 4.647 ( 0.000 -2.051 -1.262) 2.408 4.660 ( 0.000 0.357 3.117) 3.137 4.697 ( 0.000 -1.304 3.419) 3.659 4.744 ( 0.000 -1.072 0.953) 1.435 5.120 ( 0.000 -5.240 4.924) 7.191 5.164 ( 0.000 -6.914 8.098) 10.648 5.643 ( 0.000 -0.115 14.121) 14.122 5.714 ( 0.000 -9.668 -1.936) 9.860 5.983 ( 0.000 3.789 4.966) 6.246 6.016 ( 0.000 2.032 5.020) 5.416 6.016 ( 0.000 -11.120 -3.387) 11.624 6.270 ( 0.000 -6.607 -5.540) 8.622 6.619 ( 0.000 -1.541 -5.086) 5.314 6.644 ( 0.000 -2.885 15.517) 15.783 6.669 ( 0.000 -8.784 -7.499) 11.550 6.746 ( 0.000 -4.715 5.632) 7.345 6.944 ( 0.000 -16.047 -0.304) 16.050 7.070 ( 0.000 -0.490 -23.708) 23.713 7.256 ( 0.000 -2.892 -2.833) 4.048 7.268 ( 0.000 -9.566 -9.140) 13.231 7.558 ( 0.000 7.159 -2.263) 7.508 7.610 ( 0.000 -9.489 -1.032) 9.545 7.692 ( 0.000 5.052 -9.410) 10.681 7.818 ( 0.000 12.549 -3.601) 13.055 7.978 ( 0.000 -6.605 -9.570) 11.628 8.130 ( 0.000 13.810 -4.611) 14.560 8.208 ( 0.000 2.874 5.736) 6.416 8.379 ( 0.000 2.841 1.293) 3.121 8.541 ( 0.000 7.378 1.868) 7.611 8.759 ( 0.000 4.928 -2.020) 5.326 8.833 ( 0.000 12.202 15.142) 19.446 9.010 ( 0.000 6.615 -0.807) 6.664 9.046 ( 0.000 8.912 -0.797) 8.947 9.141 ( 0.000 5.941 4.223) 7.290 9.343 ( 0.000 -0.536 8.698) 8.714 9.461 ( 0.000 -14.498 -0.154) 14.499 9.501 ( 0.000 -4.038 8.820) 9.701 9.542 ( 0.000 -0.805 -1.093) 1.358 9.736 ( 0.000 12.985 1.360) 13.056 9.763 ( 0.000 -7.526 -0.287) 7.532 9.842 ( 0.000 -6.253 0.512) 6.274 9.874 ( 0.000 -2.163 -6.325) 6.684 9.997 ( 0.000 1.236 0.007) 1.236 10.064 ( 0.000 9.499 -4.942) 10.708 10.211 ( 0.000 -0.134 0.016) 0.135 10.275 ( 0.000 7.638 -5.001) 9.129 10.526 ( 0.000 -9.988 -4.061) 10.782 10.702 ( 0.000 5.691 -11.874) 13.167 10.800 ( 0.000 2.953 -6.876) 7.483 10.855 ( 0.000 -13.747 -2.153) 13.914 10.888 ( 0.000 -6.258 -5.791) 8.526 11.036 ( 0.000 2.943 -6.138) 6.807 11.059 ( 0.000 0.155 8.751) 8.753 11.147 ( 0.000 -0.637 -17.522) 17.533 11.370 ( 0.000 -0.100 -7.078) 7.078 11.380 ( 0.000 -4.066 -2.397) 4.720 11.425 ( 0.000 2.596 0.310) 2.614 11.432 ( 0.000 4.111 -6.344) 7.559 11.549 ( 0.000 1.404 -6.958) 7.098 11.652 ( 0.000 1.581 -4.750) 5.006 11.815 ( 0.000 -0.772 11.623) 11.648 11.822 ( 0.000 -1.915 15.527) 15.644 11.933 ( 0.000 3.919 10.218) 10.943 12.015 ( 0.000 2.009 -3.854) 4.346 12.192 ( 0.000 10.207 12.561) 16.186 12.314 ( 0.000 1.999 10.129) 10.324 12.334 ( 0.000 6.402 0.296) 6.409 12.361 ( 0.000 3.212 5.103) 6.030 12.380 ( 0.000 2.556 6.472) 6.959 12.531 ( 0.000 -7.470 14.273) 16.110 12.637 ( 0.000 -3.830 0.469) 3.859 12.779 ( 0.000 -8.365 0.142) 8.366 12.853 ( 0.000 3.677 6.122) 7.141 12.921 ( 0.000 -0.929 -1.899) 2.114 13.001 ( 0.000 -1.583 -3.113) 3.492 13.067 ( 0.000 3.748 4.355) 5.746 13.363 ( 0.000 -2.874 -3.617) 4.620 13.443 ( 0.000 8.833 -4.159) 9.763 13.490 ( 0.000 -3.557 4.764) 5.945 13.580 ( 0.000 -2.904 -2.470) 3.812 13.730 ( 0.000 3.858 16.275) 16.726 14.012 ( 0.000 -7.491 -0.590) 7.514 14.352 ( 0.000 5.471 -15.276) 16.226 14.408 ( 0.000 -0.175 -4.731) 4.734 14.494 ( 0.000 -0.203 -8.742) 8.744 14.559 ( 0.000 6.749 10.211) 12.239 14.690 ( 0.000 -6.163 -13.334) 14.690 14.710 ( 0.000 -1.437 -21.131) 21.179 15.019 ( 0.000 -3.346 -5.347) 6.308 15.200 ( 0.000 8.445 -7.351) 11.196 15.283 ( 0.000 2.464 7.337) 7.740 15.581 ( 0.000 2.526 -5.652) 6.190 15.635 ( 0.000 3.219 9.477) 10.009 15.859 ( 0.000 -6.558 1.435) 6.713 15.859 ( 0.000 -5.887 3.899) 7.061 16.130 ( 0.000 -0.563 -16.002) 16.012 16.227 ( 0.000 -5.765 -1.757) 6.027 16.280 ( 0.000 -9.978 8.878) 13.356 16.336 ( 0.000 -3.172 -3.569) 4.775 16.572 ( 0.000 7.804 -6.362) 10.068 16.756 ( 0.000 5.295 5.443) 7.594 16.843 ( 0.000 5.162 -3.866) 6.449 17.106 ( 0.000 6.914 15.742) 17.193 17.253 ( 0.000 -11.830 2.694) 12.133 17.412 ( 0.000 1.673 -11.165) 11.290 17.470 ( 0.000 -1.459 6.387) 6.552 17.522 ( 0.000 -1.428 -1.193) 1.861 17.748 ( 0.000 4.472 -6.836) 8.169 18.013 ( 0.000 2.561 -7.520) 7.944 18.572 ( 0.000 0.612 5.151) 5.187 18.645 ( 0.000 2.414 7.006) 7.410 18.785 ( 0.000 1.030 5.391) 5.489 18.943 ( 0.000 -14.501 12.960) 19.449 19.505 ( 0.000 2.103 -1.169) 2.406 19.537 ( 0.000 0.734 0.369) 0.822 19.641 ( 0.000 -0.966 -0.173) 0.981 19.767 ( 0.000 -1.687 -6.474) 6.690 20.454 ( 0.000 2.733 2.288) 3.565 20.622 ( 0.000 -1.771 10.522) 10.670 20.820 ( 0.000 19.125 -14.155) 23.794 21.394 ( 0.000 -3.939 -6.622) 7.705 24.906 ( 0.000 1.352 2.086) 2.486 25.019 ( 0.000 -1.413 2.699) 3.047 25.105 ( 0.000 1.863 -2.469) 3.093 25.270 ( 0.000 -2.576 -2.658) 3.701 26.410 ( 0.000 3.010 0.730) 3.097 26.476 ( 0.000 1.657 1.942) 2.553 26.551 ( 0.000 6.569 -4.495) 7.960 26.711 ( 0.000 -0.529 -2.748) 2.798 26.832 ( 0.000 3.193 3.340) 4.621 27.122 ( 0.000 0.362 1.736) 1.773 27.152 ( 0.000 0.930 -6.006) 6.078 27.311 ( 0.000 -3.790 -3.817) 5.379 27.379 ( 0.000 0.090 2.127) 2.129 27.402 ( 0.000 1.370 3.969) 4.199 27.513 ( 0.000 -6.101 7.858) 9.948 27.635 ( 0.000 -13.115 10.721) 16.939 28.470 ( 0.000 -4.869 8.157) 9.499 28.492 ( 0.000 -0.191 2.355) 2.363 28.582 ( 0.000 -0.387 1.044) 1.113 28.644 ( 0.000 -1.520 -0.099) 1.523 29.174 ( 0.000 1.943 -1.008) 2.189 29.281 ( 0.000 -1.288 3.492) 3.722 29.410 ( 0.000 9.388 -0.199) 9.390 29.846 ( 0.000 1.229 -8.356) 8.446 30.059 ( 0.000 -4.025 5.372) 6.713 30.172 ( 0.000 2.881 -5.393) 6.115 30.391 ( 0.000 -5.111 -2.695) 5.778 30.468 ( 0.000 -2.529 -4.560) 5.215 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 12.826 8.811 12.355) 19.869 1.097 ( 13.634 13.242 16.094) 24.905 1.268 ( 8.173 -0.349 1.657) 8.346 1.352 ( 9.549 6.881 5.307) 12.912 1.382 ( 9.644 0.493 -0.945) 9.703 1.630 ( 5.463 5.509 5.788) 9.680 1.652 ( 11.821 4.346 12.165) 17.511 1.829 ( 2.886 -0.736 5.028) 5.844 1.874 ( 0.750 -0.450 0.654) 1.092 1.932 ( 1.580 -1.001 -0.549) 1.949 2.005 ( 1.455 4.325 -2.847) 5.379 2.014 ( 0.583 0.712 -2.113) 2.304 2.237 ( -3.497 -1.540 -4.512) 5.913 2.369 ( -8.788 -2.071 -1.942) 9.236 2.414 ( 0.505 -0.637 1.600) 1.795 2.531 ( -1.032 -0.578 -1.094) 1.611 2.574 ( -4.456 -2.936 1.936) 5.677 2.627 ( -3.499 -0.367 1.395) 3.784 2.674 ( 0.603 0.180 1.130) 1.294 2.707 ( -3.223 -2.944 -0.675) 4.417 2.776 ( -1.605 -1.177 1.000) 2.227 2.838 ( 5.905 -3.666 1.510) 7.113 2.891 ( 3.930 4.251 -2.678) 6.378 3.115 ( 24.503 1.785 -8.374) 25.956 3.219 ( 14.805 -2.023 -3.623) 15.375 3.732 ( 4.057 7.640 -7.401) 11.384 3.957 ( -1.213 2.346 3.535) 4.413 4.019 ( 26.650 -9.053 3.218) 28.329 4.115 ( 4.605 -5.621 8.219) 10.970 4.214 ( -14.411 4.523 1.116) 15.145 4.467 ( 8.858 7.590 -5.979) 13.108 4.538 ( 11.656 4.883 -6.252) 14.099 4.706 ( 3.225 2.977 10.576) 11.451 4.739 ( 4.871 1.519 5.734) 7.675 4.952 ( 11.126 -2.404 -8.430) 14.164 5.032 ( -4.487 -7.288 4.727) 9.777 5.230 ( 2.440 -1.324 5.443) 6.110 5.552 ( -9.330 -13.376 -0.503) 16.317 5.783 ( 7.656 -0.829 10.160) 12.749 5.934 ( 0.673 0.764 2.792) 2.972 6.058 ( 2.578 3.362 1.613) 4.533 6.090 ( 3.017 -3.958 1.581) 5.222 6.354 ( -0.033 -9.706 -2.340) 9.984 6.541 ( -4.375 -7.537 -7.266) 11.346 6.655 ( 1.647 -4.412 -3.469) 5.849 6.676 ( 5.268 -0.668 5.590) 7.710 6.872 ( 2.841 -3.993 -4.852) 6.896 7.003 ( -0.010 -2.926 -16.057) 16.321 7.059 ( 5.992 -0.529 0.122) 6.017 7.194 ( 1.552 1.887 1.280) 2.758 7.309 ( 3.573 -9.834 -7.707) 12.995 7.609 ( 1.937 4.075 -3.009) 5.423 7.632 ( 2.839 -2.080 -4.951) 6.074 7.799 ( 7.216 1.249 -8.650) 11.334 7.886 ( 6.861 4.704 -1.533) 8.459 7.991 ( 0.609 -7.180 -7.063) 10.090 8.174 ( 1.427 8.548 2.293) 8.965 8.224 ( 2.853 3.366 4.361) 6.204 8.316 ( -3.095 4.035 0.069) 5.085 8.539 ( -1.235 13.825 8.646) 16.352 8.752 ( 0.676 2.218 -0.093) 2.321 8.900 ( 5.249 6.783 7.794) 11.589 8.960 ( -5.094 6.737 -0.825) 8.486 9.002 ( -0.928 3.860 -0.180) 3.974 9.171 ( 0.465 4.409 6.083) 7.527 9.285 ( -1.106 -1.406 2.398) 2.992 9.419 ( -6.254 4.187 4.667) 8.856 9.464 ( -6.831 -3.659 2.136) 8.038 9.606 ( 2.261 -11.479 0.068) 11.700 9.678 ( -3.401 -6.116 -4.192) 8.158 9.746 ( -0.703 -1.808 -3.192) 3.735 9.838 ( -1.082 -4.675 -2.728) 5.520 9.885 ( 0.571 0.692 -0.817) 1.214 10.068 ( -2.264 -0.066 4.700) 5.217 10.097 ( 3.575 2.994 -0.101) 4.665 10.133 ( 2.120 2.875 1.997) 4.093 10.285 ( 0.876 7.049 -2.119) 7.412 10.476 ( -5.644 2.433 -9.979) 11.720 10.570 ( -2.587 3.133 -5.128) 6.543 10.817 ( -4.227 -5.813 -4.200) 8.325 10.867 ( 1.635 0.583 -4.165) 4.512 10.889 ( -2.356 -6.348 -4.139) 7.936 10.918 ( -13.847 4.448 3.749) 15.020 10.997 ( -6.747 -0.327 -2.281) 7.129 11.064 ( -2.509 4.612 -4.989) 7.243 11.190 ( -7.577 2.225 -5.410) 9.572 11.303 ( -9.205 -2.796 -3.228) 10.147 11.328 ( -3.399 0.265 -4.559) 5.693 11.380 ( -2.724 -2.872 -3.329) 5.172 11.447 ( -12.846 3.136 -7.012) 14.967 11.598 ( 1.753 -6.573 -7.280) 9.964 11.684 ( -6.113 -5.610 -5.143) 9.762 11.856 ( 0.450 0.457 7.017) 7.047 11.969 ( 2.227 0.173 6.962) 7.312 12.075 ( -9.642 1.555 7.001) 12.017 12.091 ( -7.070 1.086 4.935) 8.690 12.180 ( -13.382 0.438 5.001) 14.293 12.239 ( 0.161 3.138 -2.690) 4.137 12.292 ( -2.338 2.894 15.498) 15.938 12.425 ( 5.172 -0.950 9.892) 11.203 12.541 ( 0.590 -4.036 14.810) 15.362 12.639 ( -2.044 1.419 2.758) 3.714 12.743 ( 1.697 3.391 9.976) 10.672 12.943 ( 3.925 2.763 0.189) 4.804 12.994 ( 0.914 -0.188 5.389) 5.469 13.212 ( 18.812 -5.500 -4.190) 20.043 13.395 ( 1.165 -0.537 1.813) 2.221 13.460 ( 8.081 1.249 -6.725) 10.587 13.539 ( 12.836 -1.204 -0.234) 12.894 13.596 ( 14.571 1.219 -3.477) 15.030 13.652 ( 13.548 4.266 1.004) 14.239 13.847 ( 11.409 -1.489 11.012) 15.926 13.996 ( -1.489 -3.574 2.476) 4.596 14.236 ( -5.408 3.884 -7.513) 10.039 14.396 ( -2.435 1.442 1.040) 3.015 14.488 ( -4.354 -3.495 -10.288) 11.706 14.638 ( 7.395 3.080 -1.363) 8.125 14.705 ( -3.401 -4.778 -13.062) 14.318 14.880 ( 8.881 0.519 -6.744) 11.163 14.920 ( 3.843 -0.936 -15.911) 16.395 15.199 ( -10.168 3.497 2.482) 11.035 15.325 ( 3.513 0.466 -0.938) 3.666 15.583 ( 11.429 2.193 -5.469) 12.859 15.678 ( 0.177 -8.901 9.121) 12.745 15.862 ( -2.388 -1.727 -11.137) 11.521 15.996 ( 6.726 -2.634 4.086) 8.299 16.046 ( -2.301 -3.239 -8.738) 9.599 16.250 ( 1.806 -3.034 3.770) 5.165 16.294 ( -1.633 -0.939 -0.650) 1.993 16.441 ( 7.101 -5.067 0.535) 8.740 16.568 ( 0.861 1.388 -4.604) 4.885 16.726 ( 2.719 4.484 -1.267) 5.395 16.933 ( 3.480 7.741 1.278) 8.583 17.058 ( -2.024 3.858 5.388) 6.929 17.292 ( 1.870 -8.351 3.480) 9.238 17.398 ( -1.263 0.596 -7.533) 7.661 17.487 ( -0.409 -1.060 8.074) 8.153 17.521 ( 1.572 -1.684 -3.447) 4.146 17.723 ( -2.216 4.645 -6.834) 8.555 17.980 ( -3.207 1.518 -6.136) 7.088 18.565 ( -0.671 0.344 5.236) 5.290 18.667 ( 1.193 -0.187 6.084) 6.203 18.746 ( -1.692 -1.027 9.020) 9.235 18.927 ( -1.368 -3.663 10.495) 11.200 19.336 ( -11.640 8.083 -0.721) 14.189 19.366 ( -11.227 4.791 0.302) 12.210 19.579 ( -0.951 -1.010 1.504) 2.046 19.909 ( 1.828 -9.713 -5.929) 11.526 20.402 ( -4.021 2.631 1.121) 4.934 20.555 ( -6.021 0.207 6.636) 8.962 20.674 ( -10.767 13.656 -5.725) 18.309 21.232 ( -14.466 -3.941 -5.748) 16.058 24.934 ( 2.509 1.295 1.509) 3.201 25.030 ( 1.005 -1.009 2.520) 2.894 25.157 ( 3.208 -0.929 -5.282) 6.250 25.255 ( -1.269 -2.170 -2.488) 3.536 26.416 ( 0.643 2.390 0.385) 2.504 26.479 ( 0.257 1.694 1.742) 2.444 26.532 ( -1.509 6.137 -3.616) 7.281 26.689 ( -1.984 -0.411 -3.085) 3.690 26.813 ( -1.504 2.552 3.722) 4.757 27.025 ( -5.655 1.723 -1.197) 6.031 27.191 ( -13.959 -5.775 12.650) 19.703 27.242 ( 3.722 -0.804 0.116) 3.809 27.311 ( -6.531 0.610 2.586) 7.051 27.385 ( 2.779 -0.373 -2.506) 3.760 27.452 ( -0.546 -1.753 9.247) 9.428 27.595 ( 2.392 -0.116 5.270) 5.789 28.500 ( 8.647 2.832 3.086) 9.608 28.585 ( 7.794 0.535 0.232) 7.815 28.690 ( 9.453 -0.395 3.383) 10.048 28.983 ( 15.334 -10.398 -2.940) 18.759 29.171 ( -0.033 1.922 -1.079) 2.204 29.271 ( -0.800 -1.110 3.598) 3.850 29.397 ( -1.271 8.802 -0.376) 8.901 29.837 ( -0.797 0.339 -8.390) 8.435 29.974 ( -5.090 0.923 -1.381) 5.354 30.152 ( -2.421 -3.595 0.274) 4.343 30.253 ( -11.387 -3.224 -3.224) 12.266 30.409 ( -6.123 -3.681 -3.089) 7.783 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 13.887 2.199 5.878) 15.240 1.387 ( 13.274 6.729 7.984) 16.889 1.467 ( 9.952 -0.569 3.416) 10.538 1.587 ( 11.295 6.692 9.138) 15.996 1.600 ( 10.247 0.867 -2.354) 10.550 1.721 ( 4.648 3.294 0.551) 5.723 1.850 ( 2.755 -4.102 -1.792) 5.256 1.884 ( 2.180 1.304 -0.060) 2.540 1.924 ( 2.660 -1.893 -0.332) 3.281 1.965 ( -0.304 2.321 2.015) 3.089 2.014 ( 0.423 2.987 -1.071) 3.201 2.039 ( 2.938 -2.323 0.578) 3.790 2.147 ( -6.139 -2.204 -1.317) 6.654 2.175 ( -6.922 0.345 -2.798) 7.474 2.362 ( -6.248 -2.624 0.260) 6.782 2.432 ( -6.317 -0.618 -0.849) 6.404 2.489 ( -1.740 0.487 3.460) 3.903 2.585 ( -2.468 -1.257 2.483) 3.720 2.626 ( -2.051 -0.204 0.665) 2.166 2.733 ( 1.135 -2.455 2.096) 3.422 2.741 ( 0.494 -0.308 2.488) 2.555 2.880 ( 0.130 -2.646 3.204) 4.158 2.992 ( 5.950 4.257 -3.568) 8.139 3.239 ( 1.457 -2.495 -5.753) 6.438 3.647 ( 3.853 0.764 -1.219) 4.113 3.725 ( -10.409 0.788 2.334) 10.696 3.822 ( 2.660 6.886 -2.321) 7.738 3.990 ( 2.833 5.168 -0.451) 5.911 4.365 ( 11.261 -2.168 7.975) 13.968 4.533 ( -0.553 2.674 -1.053) 2.926 4.716 ( 7.638 -5.955 4.085) 10.512 4.777 ( 11.385 -0.872 -2.666) 11.725 4.859 ( 0.417 2.066 5.956) 6.318 4.960 ( 23.858 -13.987 3.787) 27.914 5.038 ( 17.690 2.571 5.878) 18.817 5.263 ( 17.503 3.180 -2.253) 17.932 5.307 ( 2.311 -8.184 0.766) 8.539 5.538 ( 20.235 -0.504 -3.897) 20.612 5.825 ( -2.112 0.773 3.500) 4.160 6.026 ( 2.625 7.003 0.894) 7.532 6.132 ( 8.368 6.131 1.712) 10.514 6.138 ( -0.883 -4.826 4.346) 6.555 6.279 ( -1.151 -12.052 -3.781) 12.684 6.459 ( -5.217 -5.619 -5.352) 9.350 6.595 ( -3.018 -4.145 -1.000) 5.224 6.833 ( 0.540 -1.666 -2.074) 2.715 6.927 ( 6.668 4.481 -5.336) 9.645 6.963 ( 3.377 2.856 -15.936) 16.539 7.213 ( 1.073 -1.470 -12.227) 12.362 7.390 ( 11.598 -4.033 -1.958) 12.435 7.461 ( 10.476 -4.536 3.354) 11.899 7.624 ( 0.258 4.064 8.495) 9.420 7.706 ( 3.779 3.560 -7.807) 9.376 7.827 ( -0.316 4.353 -10.849) 11.694 7.914 ( -7.172 3.420 -5.748) 9.807 8.084 ( -2.773 4.664 8.024) 9.686 8.204 ( 9.600 -8.085 7.670) 14.709 8.273 ( 3.614 0.015 2.832) 4.591 8.346 ( 3.687 13.978 -1.874) 14.577 8.553 ( 2.786 8.072 4.674) 9.734 8.763 ( -3.336 2.357 -0.843) 4.170 8.857 ( -1.754 4.252 1.401) 4.808 9.009 ( 3.214 0.209 2.134) 3.864 9.022 ( 1.591 -1.184 3.973) 4.440 9.121 ( -5.042 2.275 4.383) 7.058 9.251 ( -7.594 6.282 6.121) 11.602 9.264 ( -3.297 -4.088 -0.862) 5.322 9.304 ( -4.098 -3.045 4.684) 6.929 9.476 ( -8.508 0.226 -0.551) 8.529 9.672 ( -2.002 -13.145 -1.397) 13.370 9.713 ( -3.101 -6.853 -8.580) 11.410 9.821 ( -0.565 -1.723 0.329) 1.843 9.864 ( -4.102 -12.103 -3.467) 13.242 9.957 ( -0.335 -0.215 -0.761) 0.859 10.072 ( -2.986 0.326 -0.473) 3.041 10.291 ( -0.189 5.542 2.129) 5.940 10.294 ( 5.105 4.271 0.950) 6.723 10.486 ( -7.873 5.119 -3.615) 10.063 10.507 ( -0.894 7.804 4.043) 8.834 10.635 ( -6.333 0.855 0.991) 6.467 10.705 ( -2.500 -2.872 -2.585) 4.602 10.752 ( -11.126 0.364 1.478) 11.229 10.862 ( 0.044 0.483 -4.325) 4.352 10.914 ( -0.545 -1.347 -9.472) 9.583 10.972 ( -7.761 -2.075 -8.251) 11.516 11.062 ( -1.308 -1.443 -6.695) 6.972 11.213 ( 1.737 -2.081 -8.372) 8.800 11.233 ( -5.226 1.022 -9.167) 10.601 11.275 ( -0.096 0.594 -4.634) 4.673 11.357 ( -1.883 0.758 -3.165) 3.760 11.590 ( -1.301 0.264 -8.785) 8.885 11.621 ( -2.438 -6.175 -3.446) 7.480 11.803 ( -11.595 0.588 0.738) 11.633 11.816 ( -10.493 0.124 14.731) 18.086 11.868 ( -4.831 -2.195 3.429) 6.318 11.937 ( -9.446 0.537 7.523) 12.088 12.101 ( 5.140 -0.431 6.868) 8.589 12.215 ( -3.439 2.323 8.128) 9.126 12.282 ( -0.398 4.757 4.520) 6.573 12.430 ( -0.141 -3.616 6.330) 7.292 12.597 ( -0.756 0.152 2.965) 3.063 12.625 ( 1.037 2.437 15.485) 15.710 12.703 ( -1.011 1.809 9.593) 9.814 12.910 ( -3.612 -2.114 -1.346) 4.396 13.087 ( 2.591 2.583 -2.831) 4.626 13.347 ( -0.996 -1.958 7.544) 7.857 13.574 ( 6.173 -0.670 -1.686) 6.434 13.609 ( 12.116 -0.301 -4.539) 12.942 13.763 ( 9.048 3.837 2.336) 10.102 13.788 ( 8.286 -3.223 2.877) 9.344 13.983 ( 1.851 0.866 4.540) 4.979 14.032 ( 9.593 -4.576 -0.234) 10.631 14.132 ( 10.487 -3.788 1.468) 11.246 14.243 ( 7.683 2.644 -1.778) 8.318 14.375 ( 1.160 -1.044 1.702) 2.309 14.409 ( -1.352 -3.489 -5.150) 6.366 14.577 ( -2.585 4.446 -7.283) 8.916 14.818 ( 5.106 -1.839 -8.662) 10.222 14.944 ( -8.346 6.580 3.048) 11.056 14.993 ( 3.157 -0.295 -10.460) 10.930 15.128 ( 11.888 1.436 0.451) 11.983 15.382 ( -0.787 -0.845 -3.332) 3.526 15.609 ( -3.838 -8.012 -3.314) 9.482 15.765 ( -0.690 -8.899 1.148) 8.999 15.896 ( 0.532 -5.111 1.293) 5.298 15.936 ( 2.335 3.752 -9.527) 10.502 16.118 ( -0.203 0.036 0.819) 0.844 16.170 ( -1.286 2.718 -9.181) 9.661 16.414 ( 9.760 -2.730 3.385) 10.685 16.554 ( 3.526 4.280 -1.200) 5.674 16.650 ( 4.677 -8.413 -0.841) 9.663 16.765 ( 0.165 3.153 -3.245) 4.528 17.006 ( 4.466 7.909 2.231) 9.353 17.050 ( 0.306 2.890 -1.382) 3.218 17.297 ( -1.641 -3.954 2.916) 5.179 17.366 ( -2.124 -0.022 -0.680) 2.230 17.456 ( -0.563 -1.352 0.707) 1.626 17.568 ( 1.502 -2.592 -1.583) 3.389 17.670 ( -2.388 4.804 -6.262) 8.246 17.885 ( -5.743 -0.643 -3.493) 6.753 18.551 ( -0.457 -0.328 5.454) 5.483 18.634 ( -2.705 -2.648 8.494) 9.299 18.796 ( 3.230 1.063 3.634) 4.977 18.913 ( 1.055 2.193 7.175) 7.577 19.161 ( -4.522 5.957 -1.021) 7.549 19.179 ( -5.959 6.327 1.023) 8.751 19.488 ( -7.217 -1.146 2.299) 7.661 19.829 ( -8.354 -5.641 -3.806) 10.775 20.326 ( -2.815 1.092 -0.356) 3.040 20.408 ( -6.642 4.324 -0.781) 7.964 20.470 ( -7.985 2.177 2.331) 8.598 20.869 ( -18.630 -3.302 -3.835) 19.305 24.997 ( 3.216 1.074 0.746) 3.472 25.055 ( 1.241 -0.175 1.962) 2.328 25.198 ( 0.822 -2.343 -5.352) 5.900 25.228 ( -1.118 -1.499 -2.132) 2.836 26.437 ( 1.295 1.554 -0.027) 2.023 26.484 ( 0.159 1.528 1.111) 1.896 26.505 ( -0.670 4.703 -1.694) 5.044 26.635 ( -3.138 0.246 -3.000) 4.348 26.787 ( -0.608 0.527 4.279) 4.354 26.905 ( -5.515 0.988 2.004) 5.951 26.956 ( -7.116 0.174 10.752) 12.895 27.139 ( -8.247 -0.772 2.260) 8.586 27.352 ( 4.696 0.055 0.063) 4.697 27.467 ( 1.309 -1.157 5.469) 5.741 27.472 ( 4.373 -1.060 -2.271) 5.041 27.635 ( 0.924 0.034 3.529) 3.648 28.738 ( 12.403 4.191 1.085) 13.137 28.784 ( 10.281 0.801 -1.049) 10.365 28.905 ( 9.379 -0.088 4.834) 10.551 29.130 ( 0.588 -0.994 0.510) 1.263 29.203 ( 1.914 -0.836 0.285) 2.108 29.262 ( 0.491 -1.690 3.672) 4.072 29.368 ( -0.574 7.886 -1.715) 8.091 29.817 ( -1.635 -1.483 -8.724) 8.999 29.916 ( -0.676 -1.098 -5.493) 5.642 29.975 ( -12.155 -1.402 -2.261) 12.443 30.089 ( -4.140 -5.786 0.433) 7.128 30.238 ( -9.398 -3.248 -1.908) 10.125 ======================= Grid point 45 (20/36) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 11.742 0.014 3.596) 12.280 1.606 ( 7.208 1.630 0.815) 7.434 1.628 ( 3.604 -1.265 4.347) 5.786 1.733 ( -2.296 3.016 2.660) 4.631 1.763 ( 4.034 -0.868 0.563) 4.164 1.786 ( 0.275 -0.329 -1.132) 1.211 1.845 ( 3.898 1.377 -1.959) 4.575 1.903 ( -1.743 1.500 1.952) 3.017 1.937 ( 0.063 1.045 1.041) 1.476 1.960 ( 2.769 -1.178 -5.172) 5.983 1.981 ( -5.186 0.545 0.083) 5.215 2.024 ( -2.443 -0.217 -2.134) 3.252 2.082 ( 2.188 2.709 -1.078) 3.646 2.184 ( 1.084 -2.160 0.063) 2.418 2.210 ( -3.534 -1.451 0.580) 3.865 2.310 ( -5.745 -3.004 -1.545) 6.664 2.489 ( 1.098 0.428 6.032) 6.147 2.522 ( -2.195 -0.567 6.245) 6.644 2.634 ( 1.556 0.770 1.802) 2.502 2.681 ( -2.816 -0.473 2.596) 3.858 2.813 ( 3.175 -2.033 2.380) 4.458 2.863 ( -1.660 -2.455 3.300) 4.436 3.123 ( 6.142 2.074 -4.888) 8.119 3.223 ( -3.011 -0.690 -5.366) 6.192 3.533 ( -2.818 2.196 5.770) 6.787 3.583 ( -5.850 0.821 3.734) 6.989 3.970 ( 7.855 6.221 -4.474) 10.973 4.085 ( 0.993 1.807 -6.386) 6.711 4.441 ( 0.309 3.571 6.063) 7.043 4.575 ( 2.382 -1.643 10.527) 10.917 4.623 ( -3.601 0.665 5.906) 6.949 4.770 ( -6.776 -1.269 0.821) 6.942 4.913 ( 5.636 -10.780 1.365) 12.241 5.045 ( -6.505 -15.742 7.585) 18.645 5.451 ( 12.689 2.845 -5.279) 14.035 5.551 ( 6.704 4.484 0.878) 8.113 5.812 ( 16.446 1.326 1.170) 16.541 5.820 ( 5.178 -0.482 3.526) 6.283 5.998 ( 4.944 -0.681 1.394) 5.182 6.042 ( 7.178 -4.531 1.625) 8.643 6.109 ( 8.517 -0.798 -4.534) 9.681 6.296 ( -1.623 -1.866 -9.666) 9.978 6.373 ( 2.056 -1.666 0.975) 2.820 6.445 ( 20.860 3.388 -3.976) 21.504 6.644 ( 1.202 -9.144 -0.089) 9.223 6.788 ( -1.527 -1.080 -5.544) 5.852 6.965 ( -3.076 10.225 6.030) 12.263 7.084 ( 1.459 -3.333 -14.473) 14.923 7.137 ( -3.418 -0.379 -13.273) 13.711 7.344 ( -15.871 4.484 -0.502) 16.500 7.592 ( 3.116 7.544 0.889) 8.211 7.656 ( 0.547 3.132 1.392) 3.471 7.705 ( 4.060 6.110 8.367) 11.128 7.837 ( -4.797 4.439 4.161) 7.748 7.967 ( 6.952 -1.462 -11.111) 13.188 8.082 ( 10.445 1.845 -4.293) 11.442 8.140 ( -6.475 -2.620 -5.532) 8.910 8.363 ( -1.541 4.885 2.953) 5.913 8.469 ( -4.099 13.955 -3.371) 14.930 8.573 ( -4.111 10.652 -0.171) 11.419 8.669 ( 8.328 -0.272 2.379) 8.665 8.821 ( -2.814 -4.387 2.936) 5.983 8.985 ( -2.486 -0.073 -2.695) 3.667 9.009 ( -4.621 -3.715 7.782) 9.783 9.059 ( 0.486 -3.107 5.054) 5.952 9.122 ( -5.320 0.203 3.446) 6.342 9.262 ( 5.571 -3.264 5.593) 8.542 9.331 ( -0.298 1.461 5.575) 5.771 9.431 ( 6.832 -4.260 1.633) 8.215 9.581 ( -5.829 -8.614 -0.032) 10.401 9.630 ( -2.560 -6.025 -4.559) 7.977 9.708 ( -7.103 -7.928 -4.675) 11.626 9.842 ( 3.788 -13.644 1.698) 14.262 10.020 ( -8.612 -8.821 5.948) 13.688 10.099 ( 8.502 4.111 -2.047) 9.663 10.185 ( -1.006 3.710 0.021) 3.844 10.275 ( -6.803 2.949 -5.770) 9.396 10.326 ( -7.252 7.191 -3.676) 10.854 10.379 ( -0.214 6.479 0.702) 6.521 10.466 ( -7.340 2.372 -1.296) 7.822 10.708 ( 2.733 1.645 0.804) 3.290 10.781 ( -0.337 2.822 5.423) 6.122 10.865 ( 0.636 -5.162 -8.411) 9.889 10.875 ( -0.222 -6.479 -6.186) 8.961 10.989 ( 5.518 0.273 -13.452) 14.543 11.082 ( 0.412 3.373 -11.777) 12.258 11.172 ( 0.661 3.009 -6.158) 6.886 11.257 ( -2.465 0.180 -11.306) 11.573 11.328 ( 2.913 -0.706 4.494) 5.402 11.337 ( 3.988 -3.175 -4.619) 6.879 11.529 ( -4.299 -0.876 1.678) 4.697 11.566 ( -1.222 1.456 -2.770) 3.360 11.590 ( -7.101 1.806 4.869) 8.797 11.643 ( -6.048 0.848 7.770) 9.882 11.764 ( -2.268 0.357 3.819) 4.456 11.801 ( -4.582 1.399 -1.463) 5.009 12.139 ( -0.473 -1.784 4.142) 4.534 12.153 ( -2.075 -2.536 8.551) 9.157 12.342 ( 5.949 4.606 5.842) 9.526 12.436 ( -1.287 1.872 6.551) 6.934 12.566 ( -0.752 1.330 11.336) 11.439 12.603 ( -2.991 -0.045 16.640) 16.907 12.727 ( 3.424 -2.119 -1.578) 4.325 12.818 ( -4.820 -2.263 -3.514) 6.380 13.151 ( 4.638 1.589 -1.833) 5.234 13.269 ( -5.848 -0.237 3.285) 6.712 13.684 ( 5.040 -0.944 4.843) 7.053 13.781 ( -3.155 -3.229 7.223) 8.517 13.855 ( 8.831 0.291 -5.847) 10.595 13.938 ( 8.648 -2.993 -1.156) 9.224 14.007 ( -3.711 -1.670 -0.135) 4.071 14.103 ( -3.705 -0.587 -5.044) 6.286 14.308 ( 5.113 -5.815 -0.036) 7.743 14.348 ( 0.402 -4.932 3.836) 6.261 14.385 ( 7.108 0.475 3.468) 7.923 14.476 ( 0.922 -0.727 0.309) 1.214 14.631 ( 5.651 7.163 -4.194) 10.042 14.757 ( -6.460 8.996 -3.587) 11.642 14.929 ( 4.712 1.596 2.951) 5.784 15.029 ( -2.389 2.241 0.750) 3.360 15.305 ( 2.616 -7.237 -7.950) 11.064 15.367 ( -0.633 -5.915 0.453) 5.966 15.572 ( 4.952 3.626 -2.504) 6.629 15.722 ( -5.812 -5.562 -1.503) 8.184 15.833 ( 0.901 -5.355 2.154) 5.842 15.906 ( -5.438 -1.067 0.529) 5.567 16.191 ( 5.015 3.712 -14.340) 15.638 16.221 ( 1.684 3.560 -10.879) 11.570 16.557 ( 3.752 -2.171 1.451) 4.572 16.593 ( 0.069 1.947 0.723) 2.078 16.728 ( 3.309 -3.785 -4.692) 6.877 16.777 ( -0.122 0.561 -3.234) 3.285 17.046 ( 2.271 1.162 0.041) 2.551 17.096 ( 0.618 -1.199 1.905) 2.334 17.250 ( -1.000 3.549 5.422) 6.557 17.294 ( -3.907 3.841 6.618) 8.592 17.499 ( 3.625 -3.237 -5.157) 7.086 17.563 ( -1.970 -2.836 -4.848) 5.952 17.657 ( 1.901 2.839 -3.808) 5.117 17.752 ( -6.523 0.106 -2.557) 7.007 18.554 ( 0.861 -0.740 5.793) 5.903 18.584 ( -1.991 -1.250 6.925) 7.314 18.828 ( 1.573 2.691 3.269) 4.517 18.891 ( -3.906 0.317 3.889) 5.521 19.140 ( 2.519 -0.216 0.473) 2.572 19.204 ( 2.118 1.023 3.735) 4.414 19.365 ( 1.647 6.596 -1.302) 6.922 19.594 ( -13.610 3.247 -2.896) 14.289 20.311 ( 0.643 -0.585 -0.542) 1.025 20.337 ( -0.341 -0.556 0.340) 0.736 20.355 ( -0.977 0.490 0.104) 1.098 20.525 ( -13.518 -2.002 -1.949) 13.804 25.053 ( 1.928 0.853 0.568) 2.183 25.072 ( 0.113 0.503 1.138) 1.249 25.205 ( 0.124 -2.006 -3.611) 4.133 25.211 ( -0.531 -1.494 -2.488) 2.950 26.465 ( 1.255 1.019 0.054) 1.618 26.482 ( -0.391 1.149 0.451) 1.295 26.514 ( 1.508 2.907 -0.671) 3.342 26.566 ( -3.267 1.358 -1.519) 3.850 26.792 ( 0.661 -1.932 5.102) 5.495 26.820 ( -2.546 -0.255 3.595) 4.413 26.887 ( 0.783 2.447 3.798) 4.585 26.976 ( -6.844 0.593 1.788) 7.099 27.435 ( 3.036 0.175 1.968) 3.622 27.473 ( -0.641 -0.296 3.644) 3.712 27.564 ( 3.972 -1.593 -0.758) 4.346 27.626 ( -1.809 -0.976 1.403) 2.489 28.949 ( 6.777 0.717 0.279) 6.820 28.982 ( 7.882 3.666 0.567) 8.711 29.019 ( 1.807 0.977 2.099) 2.937 29.111 ( -2.684 2.872 0.426) 3.954 29.207 ( 0.021 -1.002 2.977) 3.141 29.237 ( -2.746 -0.472 4.108) 4.964 29.449 ( 7.968 4.347 -3.274) 9.649 29.653 ( -11.307 1.499 -4.556) 12.282 29.889 ( 2.692 -4.066 -3.487) 5.995 29.951 ( 1.900 -3.263 -3.210) 4.956 29.996 ( -3.937 -5.332 -3.149) 7.338 30.062 ( -6.668 -1.738 -2.248) 7.248 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 9.419 7.040) 11.760 1.094 ( 0.000 -4.116 3.573) 5.450 1.246 ( 0.000 4.704 1.636) 4.980 1.269 ( 0.000 -0.035 -1.696) 1.696 1.378 ( 0.000 12.876 13.056) 18.337 1.611 ( 0.000 -7.256 9.037) 11.590 1.747 ( 0.000 0.721 2.763) 2.856 1.781 ( 0.000 1.152 -0.105) 1.156 1.887 ( 0.000 6.270 4.199) 7.546 1.916 ( 0.000 0.591 -4.602) 4.640 2.046 ( 0.000 6.880 -1.325) 7.007 2.153 ( 0.000 12.285 5.008) 13.266 2.200 ( 0.000 -6.755 -3.997) 7.849 2.329 ( 0.000 -2.853 3.795) 4.748 2.451 ( 0.000 0.322 -1.083) 1.130 2.482 ( 0.000 -2.527 -0.716) 2.626 2.559 ( 0.000 -1.801 3.205) 3.676 2.579 ( 0.000 -4.097 6.077) 7.329 2.675 ( 0.000 6.438 4.810) 8.037 2.724 ( 0.000 -0.324 1.040) 1.089 2.748 ( 0.000 -0.440 -0.011) 0.440 2.755 ( 0.000 -1.615 -0.764) 1.786 2.928 ( 0.000 4.790 -3.128) 5.720 2.984 ( 0.000 9.276 1.326) 9.370 3.046 ( 0.000 -0.819 0.037) 0.820 3.350 ( 0.000 -19.537 6.337) 20.539 3.957 ( 0.000 18.672 -9.350) 20.882 4.044 ( 0.000 2.041 14.572) 14.714 4.090 ( 0.000 -0.139 10.094) 10.095 4.279 ( 0.000 -9.801 -14.428) 17.442 4.582 ( 0.000 1.772 -1.986) 2.662 4.634 ( 0.000 -2.226 -13.838) 14.016 4.685 ( 0.000 3.527 8.043) 8.782 4.715 ( 0.000 10.496 0.884) 10.533 4.771 ( 0.000 1.748 -8.682) 8.857 4.970 ( 0.000 -10.917 2.841) 11.281 5.140 ( 0.000 9.039 9.771) 13.311 5.444 ( 0.000 -18.478 0.449) 18.483 5.671 ( 0.000 3.816 9.170) 9.932 5.803 ( 0.000 -10.247 2.984) 10.673 6.036 ( 0.000 3.047 0.570) 3.100 6.122 ( 0.000 -6.841 -0.290) 6.847 6.180 ( 0.000 14.082 6.668) 15.581 6.485 ( 0.000 -15.850 11.581) 19.631 6.533 ( 0.000 -1.364 -2.428) 2.785 6.618 ( 0.000 -8.334 -3.165) 8.915 6.632 ( 0.000 1.345 -7.709) 7.825 6.689 ( 0.000 -6.419 -1.462) 6.584 7.084 ( 0.000 2.645 -14.168) 14.413 7.148 ( 0.000 -3.754 -12.872) 13.408 7.250 ( 0.000 2.253 4.245) 4.806 7.376 ( 0.000 -11.594 7.854) 14.004 7.684 ( 0.000 4.347 2.212) 4.877 7.733 ( 0.000 -0.585 -2.194) 2.271 7.963 ( 0.000 3.006 -18.574) 18.815 7.985 ( 0.000 2.847 -11.039) 11.401 8.297 ( 0.000 5.857 -3.689) 6.922 8.341 ( 0.000 3.383 -4.901) 5.955 8.456 ( 0.000 9.940 -1.855) 10.112 8.596 ( 0.000 -1.989 0.157) 1.995 8.999 ( 0.000 17.758 -0.474) 17.764 9.005 ( 0.000 4.346 4.108) 5.981 9.139 ( 0.000 -11.467 -5.572) 12.749 9.181 ( 0.000 9.452 6.824) 11.658 9.222 ( 0.000 4.943 -2.065) 5.357 9.292 ( 0.000 4.336 3.451) 5.542 9.347 ( 0.000 -0.093 4.230) 4.231 9.377 ( 0.000 -8.218 7.782) 11.318 9.515 ( 0.000 2.152 5.043) 5.483 9.607 ( 0.000 -11.751 5.666) 13.045 9.616 ( 0.000 -7.626 6.579) 10.072 9.673 ( 0.000 -11.145 6.611) 12.959 10.076 ( 0.000 20.620 0.963) 20.643 10.183 ( 0.000 4.267 -4.085) 5.907 10.198 ( 0.000 8.827 -3.889) 9.646 10.283 ( 0.000 3.864 -3.461) 5.188 10.351 ( 0.000 -7.514 -5.491) 9.306 10.481 ( 0.000 6.322 0.351) 6.331 10.509 ( 0.000 -15.134 -6.600) 16.510 10.714 ( 0.000 -11.179 -4.749) 12.146 10.798 ( 0.000 4.514 -15.047) 15.709 10.859 ( 0.000 0.609 -9.690) 9.710 11.038 ( 0.000 0.371 -22.400) 22.403 11.058 ( 0.000 -0.204 -0.737) 0.764 11.164 ( 0.000 1.684 0.908) 1.913 11.269 ( 0.000 -8.506 -6.338) 10.608 11.342 ( 0.000 1.111 -6.765) 6.855 11.389 ( 0.000 -2.738 -5.279) 5.946 11.516 ( 0.000 3.072 0.566) 3.124 11.554 ( 0.000 -0.963 -0.928) 1.337 11.701 ( 0.000 3.462 0.113) 3.463 11.772 ( 0.000 -3.573 5.719) 6.744 11.874 ( 0.000 7.229 15.552) 17.150 12.011 ( 0.000 -3.223 10.403) 10.891 12.052 ( 0.000 6.929 7.916) 10.521 12.198 ( 0.000 -5.674 13.134) 14.307 12.326 ( 0.000 -1.672 19.206) 19.279 12.358 ( 0.000 -4.075 5.477) 6.827 12.395 ( 0.000 2.567 1.593) 3.021 12.435 ( 0.000 0.002 7.274) 7.274 12.491 ( 0.000 2.583 10.464) 10.778 12.544 ( 0.000 -2.951 8.566) 9.060 12.773 ( 0.000 4.935 -7.448) 8.935 12.859 ( 0.000 -3.451 -1.849) 3.915 12.976 ( 0.000 5.394 2.750) 6.054 12.997 ( 0.000 1.434 -0.945) 1.717 13.126 ( 0.000 3.275 2.309) 4.007 13.245 ( 0.000 -8.174 4.746) 9.452 13.433 ( 0.000 -1.523 5.526) 5.732 13.460 ( 0.000 -4.413 5.743) 7.243 13.650 ( 0.000 10.935 -2.428) 11.202 13.847 ( 0.000 -9.891 -0.923) 9.934 13.991 ( 0.000 17.830 -0.260) 17.832 14.303 ( 0.000 -13.120 -3.920) 13.693 14.400 ( 0.000 1.151 -15.696) 15.738 14.435 ( 0.000 -3.462 -12.312) 12.789 14.639 ( 0.000 0.863 -17.105) 17.127 14.650 ( 0.000 0.803 -15.869) 15.889 14.764 ( 0.000 7.991 0.541) 8.009 14.919 ( 0.000 -7.322 -1.074) 7.400 15.334 ( 0.000 4.718 -1.360) 4.910 15.345 ( 0.000 3.001 8.030) 8.573 15.608 ( 0.000 -0.036 -2.062) 2.063 15.635 ( 0.000 -3.023 6.794) 7.436 15.796 ( 0.000 0.057 -2.868) 2.869 15.803 ( 0.000 0.290 -0.019) 0.291 16.113 ( 0.000 -1.268 -6.764) 6.882 16.132 ( 0.000 -3.576 -1.245) 3.787 16.182 ( 0.000 -0.073 -1.886) 1.887 16.245 ( 0.000 -5.461 -3.563) 6.520 16.738 ( 0.000 8.808 -11.208) 14.255 16.854 ( 0.000 -3.080 -8.965) 9.480 16.863 ( 0.000 6.456 9.659) 11.618 17.028 ( 0.000 -11.215 5.178) 12.353 17.270 ( 0.000 9.563 13.578) 16.607 17.421 ( 0.000 -5.551 12.431) 13.614 17.449 ( 0.000 1.948 -7.958) 8.193 17.480 ( 0.000 -1.788 -5.835) 6.103 17.857 ( 0.000 6.867 -9.206) 11.485 17.980 ( 0.000 -5.298 -9.363) 10.759 18.595 ( 0.000 1.926 6.505) 6.784 18.643 ( 0.000 -2.679 6.631) 7.152 18.802 ( 0.000 0.553 7.461) 7.481 18.810 ( 0.000 -1.328 11.845) 11.920 19.561 ( 0.000 3.158 -1.827) 3.649 19.562 ( 0.000 1.651 0.004) 1.651 19.620 ( 0.000 -0.563 0.551) 0.788 19.682 ( 0.000 -5.656 -2.738) 6.284 20.515 ( 0.000 3.438 4.608) 5.749 20.576 ( 0.000 -3.013 7.876) 8.433 21.104 ( 0.000 11.914 -11.362) 16.464 21.285 ( 0.000 -7.739 -7.995) 11.127 24.940 ( 0.000 2.220 2.298) 3.195 24.983 ( 0.000 -2.270 2.535) 3.403 25.153 ( 0.000 3.078 -2.540) 3.990 25.214 ( 0.000 -3.287 -2.580) 4.179 26.472 ( 0.000 2.818 0.458) 2.855 26.498 ( 0.000 0.154 0.881) 0.894 26.647 ( 0.000 3.579 -4.055) 5.409 26.692 ( 0.000 -1.569 -2.738) 3.155 26.940 ( 0.000 8.570 4.774) 9.810 27.134 ( 0.000 -0.411 0.918) 1.006 27.144 ( 0.000 -10.880 3.516) 11.434 27.154 ( 0.000 -0.750 -3.036) 3.127 27.383 ( 0.000 0.477 2.883) 2.922 27.406 ( 0.000 -2.541 5.957) 6.476 27.447 ( 0.000 3.307 3.410) 4.750 27.514 ( 0.000 -3.734 4.609) 5.932 28.460 ( 0.000 1.539 4.496) 4.752 28.484 ( 0.000 -0.772 2.686) 2.794 28.581 ( 0.000 0.505 1.037) 1.153 28.607 ( 0.000 -2.128 0.679) 2.233 29.216 ( 0.000 2.080 1.239) 2.421 29.251 ( 0.000 -1.759 2.840) 3.340 29.604 ( 0.000 11.359 0.432) 11.367 29.799 ( 0.000 -7.902 -4.069) 8.888 30.040 ( 0.000 4.017 0.287) 4.027 30.155 ( 0.000 -5.808 -5.914) 8.289 30.340 ( 0.000 1.652 -4.096) 4.417 30.404 ( 0.000 -3.996 -5.061) 6.449 ======================= Grid point 50 (22/36) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 9.461 7.380 5.159) 13.061 1.221 ( 9.581 -2.464 3.147) 10.381 1.338 ( 9.680 5.613 2.292) 11.422 1.381 ( 11.274 0.530 -0.813) 11.316 1.452 ( 7.629 7.058 6.004) 12.003 1.662 ( 4.717 -3.711 8.056) 10.045 1.760 ( 0.154 1.744 2.331) 2.915 1.807 ( 2.727 -0.323 0.472) 2.786 1.881 ( 0.225 1.265 1.133) 1.713 1.936 ( 1.368 0.977 -0.664) 1.807 2.045 ( 0.372 5.314 -1.326) 5.489 2.135 ( -1.155 4.553 1.292) 4.871 2.186 ( -1.806 -0.258 -0.975) 2.068 2.343 ( -7.398 -0.479 -2.495) 7.822 2.361 ( -1.997 -6.082 4.333) 7.730 2.502 ( -2.292 -1.361 1.491) 3.055 2.546 ( 0.630 -0.162 2.050) 2.150 2.604 ( 1.094 -1.609 2.641) 3.280 2.665 ( -4.972 -1.068 0.248) 5.092 2.667 ( -2.335 -0.658 -0.566) 2.491 2.756 ( 0.844 -0.297 1.559) 1.798 2.793 ( 2.173 -1.213 2.808) 3.752 2.984 ( 4.644 5.425 -3.302) 7.868 3.087 ( 5.177 -4.969 -4.630) 8.540 3.344 ( 29.601 14.801 2.312) 33.176 3.709 ( 30.636 -17.540 3.938) 35.521 3.902 ( -6.065 7.074 -2.872) 9.751 3.984 ( -6.124 -1.922 8.145) 10.370 4.162 ( 8.778 7.350 9.511) 14.884 4.281 ( -7.639 0.429 4.411) 8.832 4.523 ( 8.587 -2.315 -10.839) 14.020 4.667 ( 0.081 10.974 2.159) 11.185 4.689 ( 2.051 -5.044 1.872) 5.758 4.795 ( 6.044 2.588 0.295) 6.582 4.922 ( 10.770 -1.908 -9.769) 14.666 4.956 ( 4.264 -1.272 0.521) 4.481 5.135 ( -1.187 -4.916 1.771) 5.359 5.406 ( -1.894 -1.944 3.685) 4.577 5.775 ( 8.235 -0.095 7.138) 10.899 5.834 ( 2.588 -7.327 -0.128) 7.772 6.094 ( 3.711 1.504 3.929) 5.610 6.109 ( 0.641 1.022 5.670) 5.797 6.237 ( -0.792 -0.913 -5.416) 5.549 6.404 ( -3.222 -4.151 -7.886) 9.476 6.550 ( 0.080 -6.354 4.730) 7.921 6.657 ( 10.184 -1.143 2.160) 10.473 6.779 ( 7.613 -4.230 0.568) 8.728 6.925 ( 17.298 -2.587 -3.469) 17.831 7.063 ( -0.409 2.035 -12.321) 12.495 7.136 ( 0.422 -5.503 -13.020) 14.142 7.258 ( 0.795 2.306 4.673) 5.271 7.473 ( 8.607 -9.646 6.305) 14.383 7.705 ( 1.635 3.362 -1.099) 3.897 7.842 ( 9.236 1.139 4.212) 10.215 7.939 ( -1.215 2.388 -19.663) 19.844 7.967 ( -0.458 1.256 -10.308) 10.394 8.242 ( -3.935 1.704 0.387) 4.306 8.357 ( -0.106 5.337 0.957) 5.423 8.493 ( 3.945 13.278 -3.992) 14.416 8.652 ( 3.881 -1.711 1.795) 4.606 8.919 ( -4.873 3.124 -0.337) 5.798 8.988 ( -1.811 9.139 -1.249) 9.400 9.083 ( -5.846 7.354 7.012) 11.723 9.156 ( -4.372 7.249 0.804) 8.504 9.210 ( 3.236 -2.203 -4.971) 6.327 9.248 ( -3.329 -1.628 3.787) 5.298 9.333 ( -4.412 -6.635 0.315) 7.975 9.394 ( 1.371 -6.886 3.823) 7.994 9.477 ( -5.145 -2.072 4.053) 6.869 9.530 ( -3.032 -0.392 6.429) 7.118 9.654 ( 0.785 -5.671 6.293) 8.507 9.708 ( 1.478 -10.452 7.334) 12.854 9.975 ( -9.784 5.215 -7.384) 13.321 10.072 ( -10.581 3.676 -5.287) 12.387 10.203 ( -0.273 1.473 -1.019) 1.812 10.250 ( -2.746 5.031 0.915) 5.805 10.334 ( 4.022 3.015 -0.258) 5.033 10.527 ( 5.982 3.734 5.357) 8.856 10.608 ( 2.023 -4.496 -8.788) 10.077 10.708 ( -0.154 -1.368 -11.067) 11.152 10.755 ( 3.203 -6.190 -3.027) 7.599 10.875 ( -3.069 -0.272 -4.929) 5.813 11.012 ( -4.393 6.201 -9.678) 12.305 11.048 ( -3.450 5.113 -1.301) 6.304 11.147 ( -6.495 -0.505 -6.903) 9.491 11.190 ( -9.670 -5.270 -4.983) 12.087 11.211 ( -12.847 -0.019 -1.759) 12.967 11.294 ( -9.161 -0.711 1.139) 9.259 11.350 ( -4.027 -1.320 -9.776) 10.655 11.474 ( -15.821 -0.478 -7.295) 17.428 11.521 ( -2.846 -2.082 -5.851) 6.831 11.605 ( -2.854 -2.171 -7.628) 8.429 11.871 ( -0.569 0.801 3.363) 3.504 11.965 ( -0.937 0.494 10.329) 10.383 12.065 ( -2.172 -7.347 8.003) 11.079 12.104 ( -10.899 0.495 12.721) 16.759 12.115 ( -3.666 1.324 5.239) 6.530 12.294 ( -5.646 3.055 15.622) 16.890 12.341 ( -7.710 0.781 10.803) 13.295 12.459 ( -1.253 0.990 7.202) 7.377 12.492 ( 8.584 -0.928 22.455) 24.057 12.688 ( -2.760 3.608 -5.129) 6.851 12.782 ( 4.848 0.231 9.082) 10.297 12.968 ( -4.938 0.736 1.498) 5.212 13.056 ( 11.573 3.507 2.652) 12.379 13.142 ( 14.290 -1.360 2.344) 14.545 13.322 ( -3.243 -4.402 1.957) 5.807 13.450 ( 27.829 -0.943 -3.735) 28.095 13.544 ( 4.765 0.354 4.322) 6.443 13.585 ( 14.398 -1.610 -1.900) 14.611 13.747 ( 10.717 6.375 2.404) 12.699 13.883 ( 3.441 -5.440 2.274) 6.827 13.980 ( 0.234 9.156 0.947) 9.208 14.260 ( -3.069 -2.869 -10.430) 11.244 14.331 ( -4.177 -4.708 1.018) 6.376 14.463 ( -2.192 -0.757 -12.222) 12.440 14.574 ( 1.168 -2.662 -18.136) 18.367 14.773 ( 1.032 5.399 -6.532) 8.537 14.853 ( 11.462 -1.397 -18.356) 21.686 14.914 ( 4.851 -1.141 -0.780) 5.044 15.219 ( -9.571 -0.772 7.155) 11.975 15.408 ( -3.428 7.452 3.057) 8.754 15.550 ( 0.416 -4.993 8.180) 9.593 15.604 ( 1.288 -1.318 9.881) 10.051 15.821 ( 8.150 -1.065 -17.016) 18.897 15.958 ( -6.520 -0.644 -7.819) 10.202 16.008 ( 5.090 -1.742 -5.424) 7.639 16.194 ( 6.953 -0.688 0.398) 6.999 16.282 ( 0.397 -0.042 -0.140) 0.423 16.332 ( 6.119 -5.075 6.543) 10.296 16.670 ( 0.031 4.758 -10.327) 11.370 16.809 ( 0.952 5.330 -1.823) 5.713 16.978 ( 1.354 -6.487 -5.926) 8.890 17.059 ( 3.447 0.611 5.040) 6.137 17.272 ( 0.315 5.406 9.964) 11.341 17.413 ( -1.244 0.534 -0.648) 1.501 17.429 ( -0.485 -4.457 6.313) 7.743 17.496 ( 0.879 -0.787 -4.261) 4.421 17.827 ( -2.637 6.103 -7.984) 10.390 17.944 ( -3.571 -4.698 -9.395) 11.095 18.577 ( -1.622 0.858 6.805) 7.048 18.630 ( -1.179 -2.195 7.312) 7.725 18.758 ( 0.524 0.991 7.575) 7.657 18.894 ( 3.326 -0.590 6.982) 7.757 19.442 ( -9.997 2.357 -0.271) 10.275 19.474 ( -6.545 6.882 -2.572) 9.839 19.561 ( -2.978 -1.008 1.954) 3.702 19.731 ( 0.296 -8.008 -0.199) 8.016 20.458 ( -4.764 2.936 3.254) 6.473 20.522 ( -4.757 -2.436 6.434) 8.364 20.930 ( -14.488 11.989 -8.275) 20.546 21.122 ( -14.237 -7.793 -6.466) 17.471 24.960 ( 1.932 1.232 1.418) 2.694 25.008 ( 2.080 -1.143 2.540) 3.476 25.161 ( 0.482 1.271 -3.061) 3.349 25.209 ( -0.396 -2.389 -2.178) 3.257 26.462 ( -0.323 1.755 0.291) 1.807 26.506 ( 0.383 0.857 0.870) 1.280 26.626 ( -1.773 3.576 -4.007) 5.655 26.672 ( -1.755 -1.489 -3.032) 3.806 26.900 ( -3.528 6.661 5.873) 9.555 27.050 ( -7.452 -6.252 7.546) 12.311 27.059 ( -4.799 -0.889 -0.721) 4.934 27.222 ( 2.133 -0.924 2.376) 3.323 27.306 ( -4.190 -0.659 0.037) 4.242 27.397 ( 0.588 1.196 -1.795) 2.236 27.428 ( 0.501 -0.915 6.788) 6.868 27.590 ( 3.792 -0.220 4.691) 6.036 28.548 ( 9.662 1.204 0.168) 9.738 28.623 ( 9.342 3.925 0.914) 10.175 28.678 ( 9.958 -1.183 2.461) 10.325 28.823 ( 15.479 -6.019 2.232) 16.757 29.204 ( -0.942 1.295 1.721) 2.351 29.245 ( -0.652 -1.239 2.883) 3.205 29.580 ( -2.120 10.105 -0.782) 10.355 29.787 ( -1.241 -6.520 -5.217) 8.442 30.002 ( -3.282 3.294 -0.901) 4.737 30.086 ( -5.898 -4.409 -4.645) 8.706 30.216 ( -10.176 0.545 -3.885) 10.906 30.330 ( -6.752 -3.836 -2.920) 8.296 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 10.128 5.241 3.990) 12.081 1.430 ( 10.063 -2.597 4.100) 11.173 1.522 ( 7.452 5.717 2.593) 9.743 1.636 ( 10.707 2.958 -3.242) 11.571 1.681 ( 10.726 1.590 1.356) 10.927 1.761 ( 1.208 -3.666 0.600) 3.907 1.783 ( 4.195 2.428 -0.160) 4.849 1.857 ( 2.381 -4.353 0.219) 4.966 1.910 ( 2.201 1.168 2.391) 3.454 1.969 ( 2.046 -2.114 1.890) 3.497 2.053 ( 0.030 2.391 -1.505) 2.825 2.092 ( -6.315 5.487 2.732) 8.801 2.106 ( -2.419 -0.816 -1.152) 2.801 2.191 ( -5.850 1.176 -4.037) 7.205 2.276 ( -4.853 -6.611 2.144) 8.477 2.398 ( -6.944 -1.288 1.300) 7.181 2.523 ( -3.182 1.519 3.166) 4.739 2.566 ( -2.527 -0.142 2.734) 3.726 2.622 ( 0.588 -0.105 0.697) 0.918 2.676 ( 1.665 -2.843 2.314) 4.026 2.755 ( 0.172 2.050 3.055) 3.683 2.818 ( 0.237 -3.560 3.681) 5.126 3.083 ( 4.563 4.909 -4.667) 8.167 3.177 ( 3.026 -3.976 -4.911) 7.005 3.705 ( -3.364 3.371 2.370) 5.320 3.738 ( -10.872 0.421 4.888) 11.928 3.957 ( 11.582 7.426 -3.949) 14.314 4.081 ( -0.214 2.615 -2.519) 3.637 4.351 ( 13.073 0.282 11.893) 17.676 4.498 ( 16.016 -11.868 7.703) 21.371 4.624 ( -1.686 4.057 2.005) 4.829 4.713 ( 7.356 -3.891 0.841) 8.364 4.754 ( -0.063 -4.588 4.970) 6.764 4.879 ( 1.213 -0.949 8.080) 8.225 5.149 ( 13.791 3.354 1.542) 14.276 5.216 ( 18.817 3.179 -4.350) 19.573 5.304 ( 19.895 -1.086 -8.374) 21.613 5.507 ( 15.607 -2.471 -8.965) 18.167 5.877 ( 4.683 4.296 3.416) 7.215 5.995 ( 8.278 -7.277 1.652) 11.145 6.073 ( -2.954 -5.465 3.036) 6.915 6.165 ( -1.365 4.345 -5.169) 6.890 6.221 ( 7.839 1.588 8.585) 11.733 6.398 ( 1.216 -1.306 -8.869) 9.046 6.482 ( -5.419 -5.345 1.318) 7.725 6.812 ( -2.030 -0.123 1.234) 2.379 6.979 ( 14.548 1.805 -1.789) 14.769 7.050 ( 1.429 4.530 -15.475) 16.188 7.149 ( 0.012 -4.843 -18.736) 19.352 7.339 ( 11.264 -1.312 -2.667) 11.649 7.362 ( 14.826 -3.067 10.720) 18.551 7.675 ( 8.513 -2.677 3.911) 9.744 7.747 ( 4.289 2.721 -1.281) 5.238 7.918 ( 0.977 3.261 -13.503) 13.926 7.945 ( 0.668 1.099 -9.258) 9.347 8.124 ( 7.041 -0.795 11.394) 13.417 8.148 ( -3.707 1.794 4.569) 6.151 8.294 ( -2.771 1.758 6.509) 7.289 8.621 ( 7.240 13.982 -7.327) 17.367 8.707 ( -1.636 5.888 1.629) 6.325 8.865 ( 1.107 0.546 -2.509) 2.796 8.918 ( -4.545 5.112 -3.424) 7.649 8.966 ( -5.810 -2.290 5.623) 8.403 9.062 ( -5.822 -3.394 1.027) 6.816 9.107 ( -7.596 0.683 5.908) 9.647 9.207 ( -2.939 5.716 3.584) 7.359 9.279 ( -0.209 0.573 -1.357) 1.488 9.333 ( -6.939 -10.204 -2.687) 12.629 9.428 ( 1.977 -6.826 4.171) 8.240 9.459 ( -4.552 9.463 6.294) 12.242 9.581 ( -6.679 -10.553 0.444) 12.497 9.687 ( -4.007 -11.662 4.789) 13.228 9.730 ( -13.119 -0.681 -7.366) 15.061 10.000 ( 7.232 3.127 -6.543) 10.242 10.091 ( -5.498 0.809 2.494) 6.091 10.272 ( 1.200 -0.765 5.126) 5.320 10.462 ( 0.223 6.667 -0.779) 6.716 10.552 ( -5.996 1.225 -3.840) 7.225 10.599 ( -12.417 1.478 -5.071) 13.494 10.669 ( -8.568 -0.389 1.311) 8.676 10.693 ( 5.441 4.760 6.032) 9.415 10.753 ( -12.407 -0.153 -0.051) 12.409 10.819 ( -2.521 -5.042 -6.582) 8.666 10.907 ( -8.693 0.308 -4.308) 9.706 10.957 ( -3.198 0.350 -7.918) 8.547 11.047 ( 5.546 -1.187 -2.926) 6.382 11.149 ( 4.677 -2.848 -12.241) 13.410 11.221 ( -4.639 0.875 -12.857) 13.696 11.275 ( 0.193 -2.048 -8.882) 9.117 11.365 ( -0.494 -0.011 -1.400) 1.484 11.516 ( 0.500 -2.483 -2.363) 3.463 11.595 ( 0.172 -0.635 -12.510) 12.527 11.809 ( -9.763 0.728 12.806) 16.120 11.850 ( -10.881 2.954 10.948) 15.716 11.885 ( -1.734 1.005 0.490) 2.064 11.919 ( -8.241 -2.227 3.381) 9.182 12.124 ( -0.958 3.479 9.980) 10.612 12.202 ( -5.941 -2.586 12.087) 13.714 12.335 ( 5.439 -2.012 5.250) 7.823 12.424 ( 0.466 4.100 9.890) 10.717 12.599 ( 0.367 0.678 11.634) 11.660 12.638 ( -0.546 -1.124 -0.992) 1.596 12.726 ( -4.982 0.081 7.899) 9.340 12.873 ( -4.336 -1.041 0.197) 4.464 13.170 ( -0.098 5.160 0.081) 5.161 13.300 ( 0.587 -3.215 5.853) 6.704 13.560 ( 16.120 -0.711 4.032) 16.632 13.600 ( 5.047 -0.190 2.841) 5.794 13.762 ( 5.479 0.228 -2.778) 6.147 13.832 ( 1.375 2.251 0.737) 2.739 13.914 ( 9.506 -3.919 1.308) 10.365 14.024 ( 5.684 1.507 0.308) 5.888 14.095 ( 10.519 -0.860 5.680) 11.985 14.250 ( -2.250 -4.401 6.542) 8.199 14.286 ( 5.290 0.309 -7.423) 9.120 14.422 ( 0.014 0.049 -10.011) 10.011 14.611 ( 3.552 -0.236 -11.180) 11.733 14.863 ( 5.284 5.866 -10.580) 13.201 14.964 ( 2.732 -2.791 -12.073) 12.689 15.035 ( -2.980 1.438 1.243) 3.534 15.154 ( 4.499 1.748 1.077) 4.945 15.363 ( 5.410 -2.751 -4.279) 7.427 15.451 ( -5.982 -3.190 13.269) 14.900 15.693 ( 0.664 -2.475 11.634) 11.913 15.793 ( -5.576 -2.547 -4.522) 7.618 16.033 ( 5.096 4.962 -11.590) 13.598 16.116 ( -4.345 -1.896 -0.299) 4.750 16.147 ( 6.816 -2.327 -9.401) 11.843 16.395 ( 9.260 2.168 -0.185) 9.512 16.490 ( 6.867 -6.198 2.502) 9.583 16.718 ( 0.542 7.322 -6.812) 10.015 16.819 ( -0.561 2.329 -2.797) 3.682 16.991 ( 1.131 -6.428 -5.424) 8.486 17.111 ( 0.972 2.430 0.814) 2.741 17.288 ( 1.343 2.823 5.205) 6.072 17.392 ( -0.271 0.880 -4.792) 4.879 17.416 ( -1.016 -1.683 8.483) 8.708 17.514 ( 0.671 -2.590 -2.190) 3.458 17.761 ( -3.519 4.839 -7.133) 9.310 17.844 ( -5.411 -3.676 -5.939) 8.835 18.546 ( -0.922 -0.114 6.138) 6.208 18.601 ( -1.550 -0.825 7.011) 7.228 18.811 ( 3.531 0.591 4.196) 5.516 18.928 ( -0.152 -0.233 3.614) 3.624 19.235 ( -8.362 2.813 0.746) 8.854 19.356 ( -5.507 8.389 2.620) 10.371 19.464 ( -4.121 -1.266 -0.103) 4.313 19.702 ( -2.278 -6.415 0.568) 6.831 20.355 ( -4.361 1.684 0.923) 4.765 20.407 ( -5.601 -1.620 3.464) 6.782 20.605 ( -14.910 8.416 -4.754) 17.769 20.779 ( -17.037 -6.027 -3.603) 18.427 25.014 ( 2.974 0.471 0.321) 3.028 25.055 ( 2.197 0.191 1.871) 2.892 25.165 ( 0.026 -0.830 -3.020) 3.132 25.198 ( -0.693 -1.274 -1.552) 2.124 26.467 ( 0.691 1.103 0.144) 1.309 26.509 ( -0.085 0.859 0.726) 1.128 26.586 ( -1.758 3.276 -2.874) 4.699 26.630 ( -2.113 -0.933 -3.314) 4.040 26.812 ( -4.203 1.706 7.742) 8.973 26.910 ( -5.144 -0.635 6.554) 8.356 26.958 ( -4.369 0.217 -0.240) 4.381 27.124 ( -7.330 -0.676 3.613) 8.200 27.353 ( 4.937 -0.060 -0.612) 4.975 27.445 ( 1.741 -0.743 5.018) 5.363 27.458 ( 3.290 -0.416 -2.674) 4.260 27.634 ( 0.348 -0.085 3.669) 3.686 28.772 ( 10.691 0.174 -0.913) 10.731 28.861 ( 11.978 5.259 -1.173) 13.134 28.903 ( 9.936 -0.291 3.789) 10.637 29.099 ( 9.055 -2.249 3.765) 10.061 29.190 ( 0.086 -0.587 2.499) 2.568 29.224 ( -1.210 -1.490 3.397) 3.902 29.534 ( -1.673 8.387 -3.930) 9.412 29.752 ( -1.851 -4.887 -7.630) 9.248 29.913 ( -6.660 -0.867 0.567) 6.740 29.955 ( -5.003 0.176 -4.220) 6.547 29.997 ( -8.661 -2.354 -3.686) 9.702 30.167 ( -8.043 -3.292 -1.357) 8.796 ======================= Grid point 52 (24/36) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 9.219 1.972 3.657) 10.112 1.600 ( 4.890 -1.738 4.253) 6.710 1.642 ( 3.562 1.879 -1.385) 4.258 1.711 ( -3.630 -2.620 -1.209) 4.637 1.783 ( 0.258 0.348 -1.849) 1.899 1.793 ( 0.270 1.566 2.892) 3.300 1.871 ( 5.523 -0.229 -2.315) 5.993 1.922 ( 2.555 1.936 0.905) 3.331 1.941 ( 1.228 -0.101 -1.850) 2.223 1.968 ( -3.525 0.641 2.250) 4.230 2.006 ( -0.685 1.240 -0.736) 1.596 2.029 ( -2.886 0.721 -2.876) 4.138 2.096 ( 2.901 -2.538 -1.358) 4.087 2.144 ( 2.517 1.155 -1.058) 2.964 2.201 ( -2.803 -0.806 1.284) 3.187 2.238 ( -7.646 -3.087 0.454) 8.259 2.495 ( 0.381 -0.121 6.532) 6.544 2.519 ( -1.776 0.295 6.615) 6.855 2.646 ( 1.530 0.398 1.364) 2.088 2.680 ( -1.312 0.293 2.233) 2.607 2.780 ( 1.812 -0.716 3.230) 3.772 2.810 ( -0.944 -2.692 3.674) 4.651 3.166 ( 3.286 2.128 -6.037) 7.195 3.206 ( -0.277 -1.075 -5.842) 5.946 3.572 ( -3.355 1.404 5.957) 6.979 3.598 ( -4.735 0.526 5.723) 7.447 4.102 ( 3.343 4.378 -6.427) 8.465 4.129 ( 3.189 3.911 -6.570) 8.284 4.507 ( 2.818 1.638 9.646) 10.181 4.566 ( -3.890 -1.932 8.925) 9.926 4.579 ( 0.798 -1.436 7.690) 7.863 4.680 ( -5.607 -6.113 9.335) 12.488 4.811 ( 1.183 -3.926 2.333) 4.717 4.826 ( -1.080 -2.348 5.115) 5.731 5.495 ( 12.176 1.974 -8.277) 14.855 5.601 ( 5.288 -0.222 -5.548) 7.668 5.733 ( 16.497 -2.811 -3.334) 17.063 5.879 ( 4.553 2.033 1.651) 5.253 5.989 ( 15.660 0.595 -1.134) 15.712 6.013 ( 2.248 -0.098 4.955) 5.442 6.067 ( 0.890 -3.838 -2.168) 4.497 6.260 ( 5.222 2.347 0.649) 5.762 6.358 ( -6.442 -3.352 1.737) 7.466 6.409 ( 0.503 -5.049 3.192) 5.995 6.537 ( 16.948 -0.905 -10.701) 20.064 6.777 ( -0.789 0.075 -3.152) 3.250 7.025 ( -0.174 -1.336 -15.654) 15.712 7.127 ( -3.581 3.157 -13.737) 14.542 7.213 ( 7.981 6.235 -3.610) 10.752 7.410 ( -6.967 2.348 2.806) 7.869 7.641 ( 10.440 -0.294 5.480) 11.795 7.798 ( -0.411 5.910 4.745) 7.590 7.820 ( 1.526 3.866 3.328) 5.325 7.899 ( -2.559 4.764 2.394) 5.914 7.970 ( 2.180 1.592 -12.120) 12.417 8.061 ( -6.226 -4.789 -5.927) 9.840 8.127 ( 8.963 0.992 0.969) 9.070 8.376 ( -4.706 -0.673 -0.616) 4.794 8.584 ( -1.169 0.039 5.192) 5.322 8.670 ( -3.914 -6.229 2.693) 7.834 8.832 ( 0.178 14.953 0.226) 14.956 8.877 ( -4.303 5.497 2.985) 7.592 8.937 ( 4.486 1.458 -2.815) 5.493 8.971 ( 0.466 -3.029 3.389) 4.570 9.062 ( -0.530 2.531 1.442) 2.961 9.120 ( -6.415 6.009 1.106) 8.859 9.249 ( 2.389 -1.996 0.592) 3.168 9.313 ( 1.975 -3.229 0.831) 3.875 9.355 ( -3.806 1.206 1.652) 4.321 9.433 ( -7.177 -10.688 -0.227) 12.876 9.496 ( 3.008 -8.899 2.429) 9.703 9.534 ( -3.202 -6.065 -1.661) 7.057 9.641 ( 2.763 -6.047 3.725) 7.620 9.886 ( -16.189 -3.352 9.844) 19.241 10.189 ( 2.778 3.912 -2.113) 5.243 10.251 ( 5.705 1.965 -0.601) 6.064 10.316 ( -7.670 1.772 -7.402) 10.806 10.416 ( -8.132 2.223 -3.002) 8.949 10.439 ( -2.336 0.694 -3.871) 4.574 10.467 ( -2.173 -1.216 -3.137) 4.005 10.751 ( 5.389 1.345 3.426) 6.526 10.767 ( -0.265 -3.077 -0.851) 3.204 10.781 ( -1.770 -3.559 -6.073) 7.258 10.832 ( -0.892 1.489 -0.002) 1.735 10.989 ( 4.373 0.176 -12.067) 12.836 11.105 ( -6.001 0.285 -15.161) 16.308 11.206 ( 7.500 0.341 0.844) 7.555 11.268 ( 4.265 1.059 -10.688) 11.556 11.302 ( 1.222 -0.237 -7.017) 7.127 11.332 ( -2.886 0.193 2.637) 3.914 11.524 ( 0.449 0.237 0.399) 0.646 11.568 ( -3.656 0.285 -0.017) 3.667 11.640 ( -3.107 -0.335 5.808) 6.596 11.671 ( -6.040 3.344 3.717) 7.840 11.781 ( -1.932 0.218 6.322) 6.614 11.825 ( -4.520 1.163 -2.331) 5.218 12.091 ( -0.792 -1.212 8.390) 8.514 12.118 ( -2.629 -1.771 9.105) 9.641 12.414 ( 4.203 1.691 4.014) 6.052 12.493 ( 1.551 4.332 9.591) 10.637 12.560 ( -2.123 -1.846 10.476) 10.847 12.616 ( -3.178 1.290 5.755) 6.700 12.674 ( 2.672 -3.167 -1.707) 4.481 12.772 ( -5.332 -1.897 -1.899) 5.970 13.188 ( 2.633 1.771 0.118) 3.176 13.263 ( -3.743 -0.381 2.428) 4.478 13.671 ( 3.765 -0.305 6.690) 7.683 13.732 ( -0.884 -1.570 8.641) 8.827 13.862 ( 6.186 0.392 -5.210) 8.097 13.886 ( 5.556 -1.745 -0.220) 5.828 13.978 ( -2.152 -0.887 -0.945) 2.512 14.060 ( -7.701 -2.686 2.425) 8.509 14.224 ( 8.872 -2.313 0.523) 9.184 14.306 ( 2.287 -0.344 3.756) 4.411 14.409 ( 4.927 1.141 -5.012) 7.120 14.453 ( 0.961 -1.285 -6.021) 6.231 14.732 ( 7.259 2.942 -5.120) 9.358 14.886 ( -6.300 4.654 -4.125) 8.852 14.979 ( 4.150 2.532 5.175) 7.101 15.044 ( 1.478 -1.189 -7.655) 7.886 15.198 ( 1.775 -3.245 -5.687) 6.784 15.285 ( -6.974 -1.997 9.342) 11.828 15.597 ( 8.562 -1.157 3.291) 9.245 15.663 ( -1.588 0.520 6.369) 6.584 15.740 ( 1.750 -3.790 -0.320) 4.187 15.885 ( -8.870 -0.978 3.135) 9.458 16.241 ( 4.625 1.356 -14.764) 15.531 16.255 ( 2.703 0.368 -10.723) 11.065 16.554 ( 6.314 2.032 -0.562) 6.657 16.637 ( 6.971 -3.822 -2.796) 8.428 16.671 ( -3.774 4.252 -4.132) 7.028 16.773 ( -4.439 -2.006 -3.558) 6.032 17.024 ( 2.517 -1.737 -2.735) 4.103 17.090 ( -2.856 0.194 -0.725) 2.953 17.325 ( 2.074 3.426 4.749) 6.212 17.370 ( -2.082 3.319 6.108) 7.257 17.437 ( 3.239 -2.923 -6.035) 7.446 17.506 ( -2.144 -2.688 -5.414) 6.414 17.705 ( -0.662 1.974 -4.154) 4.647 17.746 ( -3.809 -0.716 -1.749) 4.253 18.544 ( 0.638 -0.280 5.753) 5.795 18.568 ( -1.550 -0.448 6.257) 6.462 18.866 ( 1.644 1.181 2.334) 3.090 18.900 ( -1.893 0.325 1.925) 2.720 19.140 ( -0.269 0.078 3.996) 4.006 19.215 ( -6.669 0.282 7.090) 9.738 19.495 ( 6.289 5.414 -4.039) 9.230 19.633 ( -5.199 0.402 -1.819) 5.523 20.304 ( -0.319 -0.018 -0.092) 0.332 20.318 ( -2.415 -0.944 0.887) 2.740 20.386 ( -4.384 2.313 -1.990) 5.341 20.475 ( -11.149 -2.895 -1.418) 11.606 25.069 ( 1.980 0.605 0.083) 2.072 25.086 ( 0.459 0.767 0.750) 1.167 25.168 ( 0.374 -1.367 -2.167) 2.589 25.181 ( -0.818 -1.229 -1.533) 2.128 26.485 ( 0.935 0.754 0.241) 1.225 26.502 ( -0.646 0.666 0.512) 1.060 26.565 ( -0.017 2.039 -1.021) 2.281 26.587 ( -1.894 0.504 -1.644) 2.558 26.767 ( 0.285 -0.701 5.169) 5.224 26.816 ( -3.978 -0.106 3.023) 4.998 26.919 ( 0.984 0.890 2.447) 2.783 26.988 ( -5.302 0.443 2.678) 5.956 27.441 ( 2.967 0.419 0.867) 3.119 27.467 ( 0.250 -0.308 2.641) 2.670 27.534 ( 3.850 -1.190 -0.664) 4.084 27.607 ( -2.781 -0.763 1.799) 3.398 28.957 ( 6.514 0.227 0.459) 6.534 29.017 ( 1.346 0.451 3.395) 3.680 29.081 ( 7.690 3.375 -2.093) 8.655 29.161 ( -0.423 2.537 2.622) 3.673 29.190 ( -0.121 -0.694 3.492) 3.563 29.225 ( -1.079 -1.164 3.696) 4.022 29.557 ( 4.629 6.305 -4.734) 9.143 29.688 ( -6.253 1.233 -6.561) 9.147 29.787 ( -0.875 -4.330 -0.354) 4.431 29.845 ( -5.107 -6.713 -0.458) 8.448 29.944 ( 1.697 -0.489 -5.355) 5.638 30.023 ( -5.566 -1.761 -2.470) 6.339 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 0.000 13.755) 13.755 1.194 ( 0.000 0.000 -5.455) 5.455 1.217 ( 0.000 0.000 11.145) 11.145 1.244 ( 0.000 0.000 14.948) 14.948 1.249 ( 0.000 0.000 -0.419) 0.419 1.633 ( 0.000 0.000 -13.094) 13.094 1.650 ( 0.000 0.000 5.592) 5.592 1.766 ( 0.000 0.000 -5.122) 5.122 1.923 ( 0.000 0.000 2.633) 2.633 1.984 ( 0.000 0.000 -2.943) 2.943 2.018 ( 0.000 0.000 7.230) 7.230 2.166 ( 0.000 0.000 -6.701) 6.701 2.194 ( 0.000 0.000 28.384) 28.384 2.408 ( 0.000 0.000 4.147) 4.147 2.446 ( 0.000 0.000 -1.483) 1.483 2.520 ( 0.000 0.000 -4.094) 4.094 2.618 ( 0.000 0.000 14.640) 14.640 2.647 ( 0.000 0.000 -0.651) 0.651 2.688 ( 0.000 0.000 -3.511) 3.511 2.742 ( 0.000 0.000 2.081) 2.081 2.751 ( 0.000 0.000 -0.420) 0.420 2.757 ( 0.000 0.000 -0.486) 0.486 2.787 ( 0.000 0.000 -1.370) 1.370 2.844 ( 0.000 0.000 -2.099) 2.099 3.086 ( 0.000 0.000 -1.797) 1.797 3.243 ( 0.000 0.000 -17.221) 17.221 3.799 ( 0.000 0.000 4.137) 4.137 3.958 ( 0.000 0.000 -11.010) 11.010 4.084 ( 0.000 0.000 -0.716) 0.716 4.096 ( 0.000 0.000 8.234) 8.234 4.136 ( 0.000 0.000 -4.387) 4.387 4.326 ( 0.000 0.000 -14.600) 14.600 4.829 ( 0.000 0.000 4.757) 4.757 4.868 ( 0.000 0.000 2.157) 2.157 5.214 ( 0.000 0.000 20.830) 20.830 5.307 ( 0.000 0.000 6.202) 6.202 5.476 ( 0.000 0.000 20.426) 20.426 5.746 ( 0.000 0.000 1.078) 1.078 5.961 ( 0.000 0.000 -14.643) 14.643 5.988 ( 0.000 0.000 12.754) 12.754 6.004 ( 0.000 0.000 -17.609) 17.609 6.115 ( 0.000 0.000 0.890) 0.890 6.220 ( 0.000 0.000 10.493) 10.493 6.483 ( 0.000 0.000 -12.399) 12.399 6.574 ( 0.000 0.000 -21.389) 21.389 6.578 ( 0.000 0.000 -7.983) 7.983 6.671 ( 0.000 0.000 5.850) 5.850 6.971 ( 0.000 0.000 -18.313) 18.313 7.044 ( 0.000 0.000 14.867) 14.867 7.241 ( 0.000 0.000 4.886) 4.886 7.263 ( 0.000 0.000 -6.972) 6.972 7.328 ( 0.000 0.000 -2.385) 2.385 7.496 ( 0.000 0.000 -3.289) 3.289 7.532 ( 0.000 0.000 -5.245) 5.245 7.720 ( 0.000 0.000 5.507) 5.507 7.845 ( 0.000 0.000 -4.169) 4.169 8.251 ( 0.000 0.000 1.813) 1.813 8.278 ( 0.000 0.000 -1.363) 1.363 8.562 ( 0.000 0.000 4.717) 4.717 8.603 ( 0.000 0.000 9.246) 9.246 8.701 ( 0.000 0.000 15.381) 15.381 8.912 ( 0.000 0.000 1.336) 1.336 8.917 ( 0.000 0.000 -0.370) 0.370 9.019 ( 0.000 0.000 9.860) 9.860 9.122 ( 0.000 0.000 -8.120) 8.120 9.225 ( 0.000 0.000 -9.431) 9.431 9.578 ( 0.000 0.000 -10.675) 10.675 9.595 ( 0.000 0.000 7.740) 7.740 9.611 ( 0.000 0.000 -8.142) 8.142 9.718 ( 0.000 0.000 -2.549) 2.549 9.776 ( 0.000 0.000 4.988) 4.988 9.796 ( 0.000 0.000 10.434) 10.434 9.866 ( 0.000 0.000 6.878) 6.878 9.936 ( 0.000 0.000 -8.580) 8.580 9.971 ( 0.000 0.000 -3.393) 3.393 9.988 ( 0.000 0.000 -4.473) 4.473 10.354 ( 0.000 0.000 0.313) 0.313 10.403 ( 0.000 0.000 -4.152) 4.152 10.653 ( 0.000 0.000 2.387) 2.387 10.694 ( 0.000 0.000 -0.053) 0.053 10.796 ( 0.000 0.000 -8.330) 8.330 10.807 ( 0.000 0.000 -12.198) 12.198 10.981 ( 0.000 0.000 6.544) 6.544 11.088 ( 0.000 0.000 2.126) 2.126 11.114 ( 0.000 0.000 1.307) 1.307 11.200 ( 0.000 0.000 -14.373) 14.373 11.237 ( 0.000 0.000 6.828) 6.828 11.377 ( 0.000 0.000 -3.787) 3.787 11.416 ( 0.000 0.000 0.228) 0.228 11.478 ( 0.000 0.000 -7.417) 7.417 11.629 ( 0.000 0.000 10.100) 10.100 11.823 ( 0.000 0.000 -8.963) 8.963 12.039 ( 0.000 0.000 2.446) 2.446 12.067 ( 0.000 0.000 0.335) 0.335 12.077 ( 0.000 0.000 7.210) 7.210 12.101 ( 0.000 0.000 10.603) 10.603 12.272 ( 0.000 0.000 -0.631) 0.631 12.402 ( 0.000 0.000 -5.139) 5.139 12.500 ( 0.000 0.000 11.138) 11.138 12.740 ( 0.000 0.000 -6.124) 6.124 12.768 ( 0.000 0.000 31.062) 31.062 12.881 ( 0.000 0.000 6.727) 6.727 12.921 ( 0.000 0.000 1.201) 1.201 12.944 ( 0.000 0.000 -1.033) 1.033 12.978 ( 0.000 0.000 7.466) 7.466 12.998 ( 0.000 0.000 8.863) 8.863 13.058 ( 0.000 0.000 -2.019) 2.019 13.106 ( 0.000 0.000 -0.225) 0.225 13.190 ( 0.000 0.000 -10.639) 10.639 13.517 ( 0.000 0.000 -21.877) 21.877 13.722 ( 0.000 0.000 15.690) 15.690 13.989 ( 0.000 0.000 8.194) 8.194 14.109 ( 0.000 0.000 -19.886) 19.886 14.122 ( 0.000 0.000 -6.021) 6.021 14.130 ( 0.000 0.000 5.746) 5.746 14.339 ( 0.000 0.000 -12.257) 12.257 14.350 ( 0.000 0.000 -2.909) 2.909 14.506 ( 0.000 0.000 -9.733) 9.733 14.670 ( 0.000 0.000 7.180) 7.180 14.871 ( 0.000 0.000 -10.355) 10.355 15.269 ( 0.000 0.000 20.149) 20.149 15.352 ( 0.000 0.000 3.357) 3.357 15.429 ( 0.000 0.000 -4.747) 4.747 15.717 ( 0.000 0.000 -21.399) 21.399 15.758 ( 0.000 0.000 5.835) 5.835 15.857 ( 0.000 0.000 -4.861) 4.861 16.165 ( 0.000 0.000 10.838) 10.838 16.245 ( 0.000 0.000 -0.579) 0.579 16.275 ( 0.000 0.000 -3.220) 3.220 16.353 ( 0.000 0.000 -7.241) 7.241 16.700 ( 0.000 0.000 5.425) 5.425 16.725 ( 0.000 0.000 1.865) 1.865 16.842 ( 0.000 0.000 9.507) 9.507 17.092 ( 0.000 0.000 -14.556) 14.556 17.357 ( 0.000 0.000 13.070) 13.070 17.442 ( 0.000 0.000 -2.118) 2.118 17.446 ( 0.000 0.000 -2.131) 2.131 17.571 ( 0.000 0.000 -8.103) 8.103 17.670 ( 0.000 0.000 11.028) 11.028 17.848 ( 0.000 0.000 -6.389) 6.389 18.692 ( 0.000 0.000 7.023) 7.023 18.807 ( 0.000 0.000 -2.674) 2.674 18.829 ( 0.000 0.000 11.877) 11.877 19.062 ( 0.000 0.000 -10.158) 10.158 19.505 ( 0.000 0.000 3.438) 3.438 19.579 ( 0.000 0.000 2.265) 2.265 19.598 ( 0.000 0.000 -4.345) 4.345 19.635 ( 0.000 0.000 -3.054) 3.054 20.473 ( 0.000 0.000 2.124) 2.124 20.511 ( 0.000 0.000 -1.472) 1.472 20.936 ( 0.000 0.000 15.949) 15.949 21.237 ( 0.000 0.000 -12.539) 12.539 24.949 ( 0.000 0.000 3.358) 3.358 25.023 ( 0.000 0.000 -3.618) 3.618 25.110 ( 0.000 0.000 4.620) 4.620 25.211 ( 0.000 0.000 -4.926) 4.926 26.409 ( 0.000 0.000 1.385) 1.385 26.437 ( 0.000 0.000 -1.262) 1.262 26.530 ( 0.000 0.000 4.477) 4.477 26.629 ( 0.000 0.000 -4.914) 4.914 26.888 ( 0.000 0.000 5.002) 5.002 27.004 ( 0.000 0.000 -6.203) 6.203 27.178 ( 0.000 0.000 3.374) 3.374 27.253 ( 0.000 0.000 -3.842) 3.842 27.422 ( 0.000 0.000 1.923) 1.923 27.440 ( 0.000 0.000 0.599) 0.599 27.689 ( 0.000 0.000 5.941) 5.941 27.791 ( 0.000 0.000 -3.705) 3.705 28.558 ( 0.000 0.000 3.637) 3.637 28.611 ( 0.000 0.000 1.034) 1.034 28.623 ( 0.000 0.000 -0.178) 0.178 28.627 ( 0.000 0.000 -2.728) 2.728 29.168 ( 0.000 0.000 -1.707) 1.707 29.169 ( 0.000 0.000 -1.606) 1.606 29.422 ( 0.000 0.000 8.801) 8.801 29.633 ( 0.000 0.000 -10.912) 10.912 30.229 ( 0.000 0.000 7.099) 7.099 30.243 ( 0.000 0.000 6.223) 6.223 30.363 ( 0.000 0.000 -5.141) 5.141 30.375 ( 0.000 0.000 -6.783) 6.783 ======================= Grid point 71 (26/36) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 9.066 0.000 9.623) 13.221 1.287 ( 8.558 0.000 3.652) 9.305 1.303 ( 6.835 0.000 4.608) 8.243 1.364 ( 13.019 0.000 -1.344) 13.088 1.379 ( 11.483 0.000 9.581) 14.955 1.653 ( 2.007 0.000 -2.222) 2.994 1.702 ( 4.368 0.000 -4.593) 6.338 1.778 ( 1.181 0.000 -4.703) 4.849 1.932 ( 1.309 0.000 2.681) 2.983 1.975 ( 0.565 0.000 -1.233) 1.356 2.023 ( -0.180 0.000 5.826) 5.829 2.141 ( -2.773 0.000 -3.323) 4.328 2.186 ( -1.046 0.000 16.308) 16.342 2.353 ( -7.788 0.000 -2.276) 8.114 2.444 ( 1.363 0.000 2.282) 2.658 2.513 ( -2.156 0.000 -1.983) 2.929 2.617 ( -6.118 0.000 0.287) 6.125 2.626 ( -3.971 0.000 -0.319) 3.984 2.701 ( 2.508 0.000 0.766) 2.622 2.719 ( 0.575 0.000 -1.370) 1.485 2.797 ( 1.044 0.000 0.715) 1.266 2.813 ( 1.385 0.000 -1.302) 1.901 2.923 ( 4.695 0.000 2.184) 5.179 2.961 ( 17.608 0.000 -1.611) 17.682 3.212 ( 15.888 0.000 4.143) 16.419 3.424 ( 14.770 0.000 -13.391) 19.937 4.000 ( -4.308 0.000 5.091) 6.669 4.099 ( -7.771 0.000 -4.170) 8.819 4.116 ( 25.432 0.000 1.797) 25.496 4.220 ( 11.916 0.000 -1.661) 12.031 4.233 ( 3.003 0.000 -6.433) 7.100 4.255 ( 20.694 0.000 -6.804) 21.784 4.840 ( -1.859 0.000 1.226) 2.226 4.841 ( 3.164 0.000 -1.320) 3.428 5.217 ( 3.388 0.000 21.182) 21.452 5.336 ( 2.508 0.000 4.871) 5.479 5.472 ( -0.321 0.000 27.897) 27.899 5.731 ( -1.712 0.000 2.557) 3.077 5.926 ( 1.057 0.000 -8.960) 9.022 6.029 ( -0.181 0.000 11.358) 11.359 6.063 ( 0.906 0.000 -6.255) 6.320 6.203 ( 6.865 0.000 -12.954) 14.661 6.209 ( -0.069 0.000 5.049) 5.049 6.383 ( -9.166 0.000 -21.655) 23.515 6.461 ( -9.767 0.000 -9.635) 13.719 6.519 ( -3.813 0.000 -20.897) 21.242 6.733 ( 7.192 0.000 10.500) 12.727 6.946 ( -5.201 0.000 10.950) 12.122 6.966 ( 0.031 0.000 -8.269) 8.269 7.190 ( 0.733 0.000 -15.952) 15.969 7.288 ( 4.078 0.000 5.130) 6.554 7.397 ( 6.894 0.000 -3.164) 7.586 7.677 ( 8.441 0.000 1.420) 8.559 7.693 ( 3.363 0.000 -0.384) 3.385 7.858 ( 17.493 0.000 3.523) 17.844 7.948 ( 8.055 0.000 -3.456) 8.765 8.223 ( -4.052 0.000 4.098) 5.763 8.279 ( 1.733 0.000 -1.092) 2.048 8.543 ( -1.118 0.000 10.081) 10.143 8.690 ( -1.182 0.000 11.254) 11.316 8.719 ( 9.364 0.000 8.420) 12.593 8.873 ( -5.265 0.000 1.099) 5.379 8.905 ( -1.764 0.000 -2.129) 2.765 9.002 ( 4.155 0.000 6.534) 7.743 9.125 ( -2.679 0.000 -10.758) 11.087 9.137 ( -2.360 0.000 -7.491) 7.854 9.538 ( -0.378 0.000 9.689) 9.697 9.603 ( -4.608 0.000 -1.731) 4.923 9.661 ( -9.254 0.000 4.672) 10.367 9.695 ( -6.753 0.000 0.014) 6.753 9.718 ( 4.165 0.000 -10.840) 11.613 9.747 ( 1.404 0.000 -6.022) 6.183 9.947 ( -0.142 0.000 -1.114) 1.123 9.982 ( 5.906 0.000 -0.123) 5.907 10.023 ( 7.138 0.000 1.631) 7.322 10.090 ( 7.861 0.000 -4.243) 8.933 10.225 ( -7.116 0.000 1.518) 7.277 10.263 ( -6.722 0.000 -1.424) 6.871 10.634 ( -2.772 0.000 2.932) 4.035 10.738 ( -1.996 0.000 -1.046) 2.253 10.797 ( 0.383 0.000 -10.692) 10.699 10.833 ( -0.462 0.000 -7.055) 7.071 10.934 ( -7.542 0.000 4.403) 8.733 10.942 ( -10.620 0.000 3.067) 11.054 11.027 ( -4.425 0.000 0.344) 4.438 11.124 ( -4.339 0.000 -9.088) 10.070 11.140 ( -6.118 0.000 6.981) 9.282 11.271 ( -14.725 0.000 -6.138) 15.953 11.325 ( -5.399 0.000 1.344) 5.564 11.455 ( -2.764 0.000 -10.518) 10.875 11.541 ( -7.215 0.000 7.342) 10.293 11.670 ( -7.766 0.000 -4.716) 9.085 11.944 ( -1.316 0.000 -2.217) 2.578 11.948 ( -6.334 0.000 0.252) 6.339 12.097 ( -3.050 0.000 1.587) 3.439 12.120 ( -0.370 0.000 -1.170) 1.227 12.253 ( 2.460 0.000 9.992) 10.290 12.320 ( -3.949 0.000 5.895) 7.095 12.513 ( -10.050 0.000 8.544) 13.191 12.566 ( -8.053 0.000 2.499) 8.432 12.873 ( 5.193 0.000 -2.587) 5.802 12.894 ( -4.633 0.000 5.604) 7.271 12.903 ( -3.268 0.000 7.444) 8.130 12.914 ( 3.501 0.000 1.134) 3.680 12.986 ( 3.138 0.000 15.082) 15.405 13.206 ( 5.808 0.000 -8.865) 10.598 13.271 ( 18.982 0.000 7.084) 20.261 13.404 ( 25.796 0.000 6.187) 26.528 13.543 ( 29.565 0.000 -6.213) 30.211 13.670 ( 13.291 0.000 -10.329) 16.833 13.720 ( 0.600 0.000 17.450) 17.460 13.928 ( -3.402 0.000 -0.208) 3.409 14.094 ( -1.472 0.000 -3.685) 3.968 14.125 ( -0.840 0.000 1.499) 1.719 14.198 ( -2.837 0.000 -9.499) 9.914 14.226 ( 5.647 0.000 -21.828) 22.547 14.443 ( -3.402 0.000 -3.933) 5.200 14.528 ( 7.170 0.000 -12.490) 14.402 14.755 ( 9.055 0.000 11.205) 14.406 14.956 ( 6.251 0.000 -2.767) 6.836 15.237 ( -10.356 0.000 5.132) 11.558 15.269 ( -6.730 0.000 -2.142) 7.063 15.391 ( 6.932 0.000 2.681) 7.432 15.681 ( -3.080 0.000 -16.337) 16.624 15.850 ( 5.954 0.000 0.768) 6.003 15.852 ( 0.208 0.000 -0.371) 0.425 16.257 ( 1.826 0.000 3.235) 3.715 16.301 ( -3.068 0.000 -1.698) 3.506 16.335 ( 8.536 0.000 4.025) 9.437 16.401 ( 7.852 0.000 -2.574) 8.263 16.607 ( -5.775 0.000 4.263) 7.178 16.693 ( 1.322 0.000 -2.330) 2.679 16.919 ( 3.829 0.000 7.415) 8.345 17.114 ( 1.205 0.000 -10.842) 10.909 17.290 ( -3.942 0.000 12.311) 12.927 17.426 ( -1.905 0.000 -1.579) 2.474 17.434 ( -0.716 0.000 -2.359) 2.466 17.521 ( -3.884 0.000 -9.174) 9.962 17.711 ( 2.200 0.000 9.493) 9.745 17.860 ( 0.303 0.000 -5.192) 5.201 18.684 ( -0.504 0.000 6.692) 6.711 18.795 ( -0.917 0.000 -2.784) 2.931 18.836 ( 0.775 0.000 10.305) 10.334 19.042 ( -1.556 0.000 -9.024) 9.157 19.291 ( -15.246 0.000 5.067) 16.066 19.320 ( -11.239 0.000 0.367) 11.245 19.663 ( 1.477 0.000 5.413) 5.611 19.809 ( 3.390 0.000 -8.848) 9.475 20.396 ( -5.804 0.000 1.621) 6.026 20.429 ( -6.665 0.000 -1.377) 6.806 20.839 ( -8.831 0.000 13.458) 16.096 21.098 ( -12.458 0.000 -10.997) 16.618 24.971 ( 1.965 0.000 3.187) 3.744 25.050 ( 2.226 0.000 -4.625) 5.133 25.111 ( 0.097 0.000 4.169) 4.171 25.201 ( -0.850 0.000 -4.322) 4.405 26.413 ( 0.454 0.000 1.037) 1.132 26.434 ( -0.122 0.000 -0.962) 0.970 26.522 ( -0.651 0.000 3.831) 3.886 26.610 ( -1.721 0.000 -4.438) 4.760 26.867 ( -1.603 0.000 4.107) 4.409 26.952 ( -3.716 0.000 -3.778) 5.299 27.247 ( 4.899 0.000 1.656) 5.171 27.291 ( 1.620 0.000 -2.064) 2.624 27.374 ( -3.037 0.000 0.878) 3.161 27.380 ( -6.639 0.000 1.190) 6.745 27.687 ( -0.014 0.000 3.320) 3.320 27.689 ( -5.666 0.000 4.359) 7.149 28.552 ( 4.894 0.000 2.865) 5.671 28.583 ( 5.679 0.000 -0.378) 5.691 28.795 ( 12.523 0.000 6.279) 14.009 28.949 ( 15.184 0.000 -8.605) 17.453 29.157 ( -0.871 0.000 -1.322) 1.583 29.167 ( -0.024 0.000 -2.052) 2.052 29.426 ( 0.385 0.000 8.770) 8.778 29.634 ( 0.167 0.000 -10.752) 10.753 30.037 ( -11.219 0.000 6.831) 13.135 30.181 ( -12.490 0.000 -6.506) 14.083 30.272 ( -2.340 0.000 4.412) 4.994 30.366 ( -4.428 0.000 -4.556) 6.353 ======================= Grid point 72 (27/36) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 10.670 0.000 6.307) 12.394 1.478 ( 9.213 0.000 0.576) 9.231 1.500 ( 10.557 0.000 4.326) 11.409 1.606 ( 8.562 0.000 4.991) 9.910 1.644 ( 10.972 0.000 -3.591) 11.545 1.713 ( 3.818 0.000 -1.346) 4.049 1.794 ( 3.799 0.000 -3.436) 5.122 1.817 ( 2.567 0.000 -2.650) 3.690 1.973 ( 1.645 0.000 3.265) 3.656 1.976 ( -2.304 0.000 2.632) 3.498 2.005 ( -0.793 0.000 1.675) 1.853 2.063 ( -4.331 0.000 -2.623) 5.063 2.157 ( -0.784 0.000 1.536) 1.724 2.172 ( -8.686 0.000 0.111) 8.687 2.387 ( -7.912 0.000 0.288) 7.918 2.405 ( -5.095 0.000 -1.184) 5.231 2.557 ( 0.940 0.000 3.712) 3.829 2.606 ( 1.382 0.000 -0.743) 1.569 2.709 ( -1.403 0.000 4.604) 4.813 2.775 ( 1.334 0.000 -0.821) 1.566 2.799 ( 1.744 0.000 3.229) 3.670 2.875 ( 4.834 0.000 -3.868) 6.191 2.986 ( 1.238 0.000 5.082) 5.230 3.115 ( 2.037 0.000 -7.355) 7.632 3.618 ( 14.455 0.000 0.428) 14.461 3.658 ( 4.454 0.000 -2.482) 5.099 3.839 ( -11.526 0.000 5.549) 12.792 3.920 ( -1.876 0.000 -2.233) 2.916 4.395 ( 10.263 0.000 -0.070) 10.263 4.432 ( 6.008 0.000 -4.511) 7.513 4.624 ( 13.661 0.000 -4.357) 14.339 4.646 ( 10.501 0.000 -6.702) 12.457 5.124 ( 36.611 0.000 5.796) 37.067 5.170 ( 24.283 0.000 -0.009) 24.283 5.283 ( -5.171 0.000 18.580) 19.287 5.417 ( 9.562 0.000 -0.448) 9.572 5.550 ( 13.092 0.000 28.119) 31.017 5.666 ( -3.637 0.000 11.535) 12.094 5.946 ( -7.126 0.000 -2.455) 7.538 5.983 ( 0.268 0.000 8.765) 8.769 6.065 ( 7.495 0.000 1.159) 7.584 6.161 ( -8.896 0.000 -23.704) 25.319 6.226 ( 1.180 0.000 -1.878) 2.218 6.312 ( -4.436 0.000 -2.911) 5.306 6.374 ( 10.130 0.000 -27.307) 29.126 6.513 ( 2.236 0.000 -21.892) 22.006 6.758 ( -4.997 0.000 9.063) 10.349 6.965 ( -1.490 0.000 -11.242) 11.340 6.995 ( 8.102 0.000 12.379) 14.794 7.256 ( 3.559 0.000 -13.328) 13.795 7.439 ( 11.439 0.000 2.867) 11.793 7.569 ( 10.651 0.000 -8.404) 13.567 7.768 ( 3.288 0.000 5.587) 6.482 7.808 ( 2.383 0.000 3.551) 4.276 7.920 ( -11.524 0.000 9.468) 14.915 8.102 ( 0.799 0.000 -6.702) 6.750 8.196 ( 0.339 0.000 6.783) 6.792 8.293 ( 0.887 0.000 -2.374) 2.534 8.560 ( 2.687 0.000 12.806) 13.084 8.642 ( -4.642 0.000 5.759) 7.397 8.753 ( -7.373 0.000 2.433) 7.764 8.847 ( -2.758 0.000 -2.686) 3.850 8.927 ( 8.364 0.000 0.680) 8.392 9.008 ( -5.810 0.000 -4.965) 7.643 9.160 ( 8.608 0.000 4.320) 9.631 9.207 ( 7.829 0.000 -2.616) 8.254 9.470 ( -5.042 0.000 4.027) 6.452 9.473 ( -6.708 0.000 4.613) 8.141 9.503 ( -3.628 0.000 9.647) 10.307 9.578 ( -3.745 0.000 -6.661) 7.641 9.744 ( -2.136 0.000 -4.176) 4.690 9.775 ( 2.340 0.000 -14.121) 14.314 9.912 ( -4.549 0.000 -1.938) 4.945 9.949 ( -6.732 0.000 -3.838) 7.749 10.073 ( 1.597 0.000 1.368) 2.103 10.083 ( 4.557 0.000 0.421) 4.576 10.325 ( 3.431 0.000 4.544) 5.694 10.400 ( 6.900 0.000 -2.352) 7.290 10.483 ( -11.678 0.000 5.516) 12.915 10.601 ( -3.635 0.000 -2.854) 4.621 10.670 ( -5.813 0.000 -4.174) 7.156 10.682 ( -11.909 0.000 -9.631) 15.316 10.815 ( -8.196 0.000 0.341) 8.203 10.848 ( -7.516 0.000 -3.761) 8.405 10.896 ( 0.823 0.000 1.960) 2.126 10.945 ( -8.223 0.000 -1.261) 8.319 11.059 ( -2.301 0.000 -1.088) 2.546 11.142 ( 5.705 0.000 -2.019) 6.051 11.224 ( -4.426 0.000 -0.174) 4.430 11.370 ( -2.476 0.000 -10.415) 10.705 11.465 ( -0.306 0.000 8.502) 8.507 11.609 ( -2.776 0.000 -5.268) 5.955 11.793 ( -8.470 0.000 2.537) 8.842 11.901 ( -3.128 0.000 -7.776) 8.381 12.022 ( -4.810 0.000 3.663) 6.046 12.061 ( -7.654 0.000 2.185) 7.959 12.201 ( -3.825 0.000 11.906) 12.505 12.304 ( -1.568 0.000 9.359) 9.489 12.393 ( -2.624 0.000 -3.093) 4.056 12.405 ( -3.782 0.000 0.624) 3.833 12.805 ( -2.456 0.000 6.544) 6.990 12.830 ( -2.149 0.000 0.636) 2.241 12.863 ( -4.397 0.000 0.237) 4.403 12.896 ( -2.538 0.000 -3.338) 4.193 13.096 ( 7.053 0.000 18.194) 19.513 13.395 ( 11.043 0.000 -10.657) 15.347 13.601 ( 2.645 0.000 9.860) 10.209 13.701 ( 4.106 0.000 19.184) 19.619 13.845 ( 6.537 0.000 6.405) 9.152 13.881 ( 5.496 0.000 -5.917) 8.075 14.034 ( 2.630 0.000 1.399) 2.979 14.034 ( 17.531 0.000 -8.048) 19.290 14.123 ( -2.327 0.000 -0.901) 2.495 14.139 ( 9.905 0.000 -6.155) 11.662 14.211 ( 16.874 0.000 -4.184) 17.385 14.352 ( 5.293 0.000 -20.686) 21.352 14.445 ( 4.394 0.000 6.811) 8.105 14.661 ( 6.959 0.000 -12.727) 14.505 14.917 ( -10.977 0.000 7.165) 13.108 14.999 ( 11.076 0.000 12.729) 16.873 15.136 ( -3.692 0.000 -14.064) 14.540 15.195 ( 9.093 0.000 0.667) 9.118 15.587 ( 10.092 0.000 -8.472) 13.176 15.624 ( -2.423 0.000 -4.491) 5.103 15.830 ( -2.722 0.000 0.535) 2.774 15.918 ( -1.006 0.000 -5.287) 5.382 16.125 ( -11.370 0.000 4.567) 12.253 16.164 ( -8.081 0.000 0.699) 8.111 16.514 ( 5.661 0.000 0.409) 5.676 16.559 ( 5.395 0.000 -5.246) 7.525 16.608 ( 4.466 0.000 7.392) 8.637 16.751 ( 2.095 0.000 -5.395) 5.788 16.995 ( 4.794 0.000 7.756) 9.118 17.136 ( 2.832 0.000 -0.059) 2.832 17.272 ( 1.928 0.000 3.018) 3.582 17.370 ( -3.308 0.000 0.610) 3.364 17.420 ( -0.369 0.000 -3.850) 3.868 17.457 ( -1.282 0.000 -9.111) 9.201 17.706 ( -3.310 0.000 7.375) 8.084 17.823 ( -4.483 0.000 -4.133) 6.097 18.680 ( 0.246 0.000 6.499) 6.504 18.784 ( 0.223 0.000 -2.711) 2.720 18.850 ( -1.160 0.000 8.061) 8.145 19.019 ( -0.950 0.000 -7.558) 7.617 19.071 ( -3.048 0.000 5.639) 6.410 19.105 ( -7.659 0.000 1.058) 7.731 19.593 ( -8.155 0.000 6.435) 10.388 19.740 ( -9.448 0.000 -7.540) 12.088 20.305 ( -2.179 0.000 -0.460) 2.227 20.309 ( -3.327 0.000 -0.642) 3.389 20.616 ( -11.362 0.000 8.369) 14.112 20.784 ( -16.178 0.000 -7.373) 17.779 25.022 ( 2.723 0.000 2.624) 3.782 25.097 ( 2.107 0.000 -4.903) 5.337 25.113 ( -0.063 0.000 3.176) 3.176 25.181 ( -0.969 0.000 -3.380) 3.516 26.431 ( 1.248 0.000 0.439) 1.323 26.440 ( 0.831 0.000 -0.429) 0.935 26.506 ( -0.906 0.000 2.462) 2.624 26.566 ( -2.368 0.000 -3.267) 4.035 26.842 ( -0.304 0.000 2.637) 2.655 26.885 ( -2.239 0.000 -1.286) 2.582 27.156 ( -10.584 0.000 4.097) 11.349 27.177 ( -8.964 0.000 0.911) 9.010 27.386 ( 5.895 0.000 2.540) 6.419 27.437 ( 5.844 0.000 -2.337) 6.294 27.626 ( -1.646 0.000 6.164) 6.380 27.683 ( -0.734 0.000 0.501) 0.889 28.737 ( 10.937 0.000 1.872) 11.096 28.762 ( 10.170 0.000 -0.781) 10.200 29.026 ( 7.102 0.000 6.275) 9.477 29.112 ( -0.556 0.000 -1.547) 1.644 29.195 ( 4.246 0.000 -2.700) 5.032 29.200 ( 5.753 0.000 -2.987) 6.482 29.430 ( -0.756 0.000 8.815) 8.847 29.633 ( -1.147 0.000 -10.346) 10.410 29.854 ( -4.471 0.000 0.290) 4.480 29.917 ( -10.593 0.000 -4.334) 11.446 30.173 ( -6.445 0.000 1.653) 6.653 30.219 ( -8.924 0.000 -2.643) 9.308 ======================= Grid point 73 (28/36) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 10.343 0.000 3.755) 11.003 1.632 ( 5.137 0.000 2.489) 5.708 1.679 ( 2.228 0.000 -0.742) 2.349 1.724 ( 7.321 0.000 0.894) 7.375 1.744 ( -1.720 0.000 -2.657) 3.165 1.812 ( 2.891 0.000 -6.896) 7.477 1.861 ( -1.163 0.000 0.760) 1.389 1.866 ( 2.734 0.000 1.387) 3.065 1.871 ( -2.958 0.000 4.772) 5.615 1.950 ( -2.716 0.000 -0.968) 2.884 1.964 ( -2.827 0.000 -1.065) 3.022 1.970 ( -4.794 0.000 -1.558) 5.041 2.115 ( 4.278 0.000 3.952) 5.824 2.192 ( 3.808 0.000 -3.253) 5.008 2.235 ( -6.638 0.000 2.649) 7.147 2.291 ( -5.388 0.000 -2.568) 5.969 2.604 ( 3.024 0.000 4.870) 5.732 2.655 ( 3.177 0.000 -0.030) 3.177 2.667 ( -2.703 0.000 5.843) 6.438 2.727 ( -3.458 0.000 0.250) 3.467 2.894 ( 4.839 0.000 3.931) 6.235 2.973 ( -2.431 0.000 5.318) 5.848 2.996 ( 6.149 0.000 -5.613) 8.325 3.100 ( -3.284 0.000 -6.774) 7.529 3.647 ( -1.319 0.000 6.322) 6.458 3.685 ( -4.419 0.000 8.794) 9.842 3.785 ( 5.100 0.000 -6.939) 8.612 3.888 ( -3.700 0.000 -10.164) 10.816 4.526 ( 9.412 0.000 5.363) 10.833 4.599 ( 9.609 0.000 -1.347) 9.703 4.751 ( -2.380 0.000 -0.936) 2.557 4.769 ( -7.946 0.000 -0.903) 7.998 5.208 ( 8.377 0.000 16.339) 18.361 5.385 ( 9.222 0.000 -1.221) 9.303 5.463 ( -11.164 0.000 14.029) 17.928 5.634 ( -10.726 0.000 3.957) 11.433 5.861 ( 14.224 0.000 2.963) 14.529 5.879 ( 15.892 0.000 2.687) 16.117 5.922 ( 10.666 0.000 -12.235) 16.231 6.049 ( -3.657 0.000 -10.605) 11.218 6.112 ( 3.120 0.000 11.841) 12.245 6.208 ( -5.201 0.000 9.041) 10.430 6.353 ( 20.524 0.000 3.687) 20.853 6.370 ( 22.242 0.000 -3.566) 22.526 6.564 ( 4.495 0.000 -20.657) 21.141 6.603 ( 6.951 0.000 -27.787) 28.644 6.716 ( -1.529 0.000 1.854) 2.403 6.849 ( -10.975 0.000 -12.648) 16.745 7.091 ( 3.211 0.000 13.249) 13.632 7.351 ( 7.233 0.000 -11.689) 13.746 7.411 ( -25.130 0.000 11.239) 27.529 7.620 ( -16.580 0.000 -7.114) 18.042 7.774 ( 16.155 0.000 5.679) 17.124 7.868 ( 17.871 0.000 -5.078) 18.579 7.950 ( 4.255 0.000 13.900) 14.536 8.136 ( -2.718 0.000 5.400) 6.046 8.146 ( 7.338 0.000 -2.971) 7.916 8.220 ( -10.099 0.000 -2.736) 10.463 8.376 ( -18.961 0.000 -1.266) 19.003 8.387 ( -15.992 0.000 -2.458) 16.179 8.768 ( 7.416 0.000 7.592) 10.613 8.891 ( 6.109 0.000 -2.679) 6.671 8.906 ( -5.304 0.000 2.710) 5.956 8.994 ( -2.050 0.000 -4.913) 5.323 9.277 ( 3.692 0.000 7.407) 8.276 9.373 ( 6.784 0.000 0.245) 6.789 9.385 ( -5.844 0.000 9.161) 10.866 9.438 ( 0.020 0.000 5.232) 5.232 9.501 ( 6.894 0.000 -0.294) 6.900 9.547 ( 0.281 0.000 -7.447) 7.453 9.633 ( -7.212 0.000 -2.536) 7.645 9.675 ( -8.869 0.000 -3.238) 9.442 9.970 ( 8.373 0.000 -3.777) 9.186 10.009 ( 11.059 0.000 -7.296) 13.249 10.149 ( 2.528 0.000 1.598) 2.991 10.154 ( -2.348 0.000 1.856) 2.993 10.210 ( -5.112 0.000 6.403) 8.193 10.267 ( -3.818 0.000 3.915) 5.468 10.327 ( -8.989 0.000 -1.746) 9.157 10.364 ( -12.208 0.000 -5.751) 13.495 10.663 ( 0.365 0.000 -1.617) 1.658 10.697 ( 3.624 0.000 -7.409) 8.248 10.724 ( -2.694 0.000 -4.864) 5.560 10.745 ( -2.213 0.000 -7.768) 8.077 10.916 ( 4.904 0.000 4.261) 6.497 10.965 ( 5.230 0.000 -1.737) 5.511 11.017 ( -3.000 0.000 1.038) 3.174 11.102 ( -6.854 0.000 -4.974) 8.468 11.302 ( 8.243 0.000 0.296) 8.248 11.393 ( 4.483 0.000 -7.690) 8.902 11.447 ( -4.227 0.000 2.220) 4.774 11.513 ( -5.888 0.000 -4.945) 7.689 11.690 ( 1.763 0.000 10.302) 10.452 11.834 ( -1.494 0.000 -0.419) 1.552 11.844 ( -10.768 0.000 9.139) 14.123 11.892 ( -6.409 0.000 3.533) 7.318 12.194 ( 2.327 0.000 4.158) 4.765 12.288 ( 3.322 0.000 -5.123) 6.106 12.291 ( -6.330 0.000 2.359) 6.755 12.381 ( -3.232 0.000 -5.135) 6.067 12.789 ( -0.249 0.000 1.804) 1.821 12.802 ( 1.537 0.000 5.191) 5.414 12.812 ( -1.482 0.000 3.686) 3.973 12.845 ( -2.311 0.000 0.593) 2.385 13.273 ( 9.736 0.000 17.830) 20.316 13.479 ( -9.387 0.000 16.467) 18.954 13.630 ( 11.199 0.000 -14.041) 17.960 13.825 ( 6.360 0.000 7.818) 10.079 13.829 ( -6.602 0.000 -15.520) 16.866 13.948 ( 3.718 0.000 -2.922) 4.729 13.958 ( -5.944 0.000 5.843) 8.335 14.047 ( -4.510 0.000 -2.035) 4.947 14.360 ( 10.117 0.000 -1.043) 10.171 14.368 ( 9.190 0.000 -2.545) 9.536 14.446 ( 1.735 0.000 -5.410) 5.681 14.473 ( 2.741 0.000 -5.237) 5.911 14.594 ( 7.985 0.000 10.770) 13.407 14.724 ( -6.029 0.000 12.373) 13.764 14.827 ( 8.316 0.000 -10.247) 13.197 14.976 ( -5.990 0.000 -8.704) 10.566 15.313 ( 12.511 0.000 5.085) 13.505 15.438 ( 13.290 0.000 -2.908) 13.604 15.535 ( -7.771 0.000 7.687) 10.931 15.689 ( -7.123 0.000 -7.321) 10.214 15.792 ( 1.254 0.000 -3.015) 3.266 15.869 ( 4.322 0.000 -10.009) 10.902 15.903 ( -8.867 0.000 2.263) 9.152 16.013 ( -6.878 0.000 -7.470) 10.154 16.593 ( 2.877 0.000 0.627) 2.945 16.639 ( 3.711 0.000 -3.762) 5.285 16.644 ( -1.387 0.000 3.569) 3.829 16.727 ( -3.909 0.000 -4.217) 5.750 17.144 ( 8.326 0.000 7.448) 11.171 17.258 ( 6.610 0.000 1.427) 6.762 17.286 ( -5.144 0.000 4.240) 6.666 17.316 ( 0.883 0.000 1.961) 2.151 17.438 ( 3.320 0.000 -4.274) 5.412 17.502 ( 5.940 0.000 -6.639) 8.909 17.579 ( -8.167 0.000 3.811) 9.012 17.674 ( -9.138 0.000 -4.380) 10.134 18.700 ( 1.918 0.000 6.952) 7.212 18.767 ( -4.536 0.000 7.972) 9.172 18.812 ( 2.685 0.000 -2.968) 4.002 18.905 ( -6.318 0.000 -4.228) 7.602 19.145 ( 8.123 0.000 2.602) 8.530 19.191 ( 11.692 0.000 -0.860) 11.724 19.367 ( -12.153 0.000 5.198) 13.217 19.476 ( -14.548 0.000 -4.822) 15.326 20.308 ( 2.458 0.000 0.002) 2.458 20.318 ( 4.299 0.000 -0.890) 4.390 20.412 ( -7.661 0.000 3.369) 8.369 20.486 ( -11.696 0.000 -3.492) 12.206 25.073 ( 2.085 0.000 2.120) 2.973 25.104 ( -0.873 0.000 2.306) 2.465 25.134 ( 1.492 0.000 -3.875) 4.152 25.161 ( -1.081 0.000 -3.154) 3.334 26.460 ( 1.419 0.000 0.364) 1.465 26.470 ( 1.949 0.000 -0.544) 2.024 26.486 ( -1.056 0.000 1.138) 1.553 26.516 ( -2.403 0.000 -1.734) 2.963 26.874 ( 3.651 0.000 1.312) 3.879 26.877 ( 1.850 0.000 1.271) 2.244 26.969 ( -6.974 0.000 3.767) 7.927 26.995 ( -7.842 0.000 0.542) 7.861 27.501 ( 4.905 0.000 3.504) 6.028 27.557 ( 5.273 0.000 -1.793) 5.569 27.582 ( -2.925 0.000 4.936) 5.738 27.645 ( -3.078 0.000 -0.974) 3.228 28.948 ( 8.556 0.000 0.840) 8.598 28.956 ( 7.716 0.000 -0.001) 7.716 29.060 ( -2.205 0.000 1.534) 2.686 29.071 ( -3.457 0.000 -0.006) 3.457 29.279 ( 3.061 0.000 2.860) 4.189 29.339 ( 7.897 0.000 -3.255) 8.542 29.364 ( -4.822 0.000 7.110) 8.591 29.516 ( -8.998 0.000 -7.221) 11.537 29.865 ( 4.963 0.000 -1.789) 5.275 29.881 ( 5.650 0.000 -3.643) 6.723 30.025 ( -8.684 0.000 -1.351) 8.788 30.025 ( -8.017 0.000 -1.395) 8.137 ======================= Grid point 77 (29/36) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 3.389 10.946) 11.459 1.201 ( 0.000 0.677 -4.896) 4.942 1.211 ( 0.000 -1.339 2.610) 2.933 1.240 ( 0.000 -0.298 0.181) 0.348 1.391 ( 0.000 13.404 17.351) 21.926 1.678 ( 0.000 2.684 4.758) 5.463 1.695 ( 0.000 5.572 -9.770) 11.247 1.785 ( 0.000 1.750 -5.176) 5.464 1.925 ( 0.000 0.567 1.275) 1.395 1.966 ( 0.000 -1.854 -2.287) 2.944 1.985 ( 0.000 -3.325 8.218) 8.865 2.148 ( 0.000 -1.967 -7.276) 7.537 2.234 ( 0.000 4.267 22.259) 22.665 2.409 ( 0.000 -0.142 2.792) 2.796 2.441 ( 0.000 -0.512 -1.056) 1.173 2.496 ( 0.000 -2.414 -4.551) 5.152 2.632 ( 0.000 -0.578 1.900) 1.986 2.702 ( 0.000 0.907 -2.926) 3.064 2.716 ( 0.000 7.032 11.747) 13.691 2.728 ( 0.000 -0.757 3.644) 3.722 2.760 ( 0.000 1.113 1.080) 1.551 2.772 ( 0.000 -1.132 -0.236) 1.156 2.793 ( 0.000 3.018 -2.164) 3.714 2.885 ( 0.000 3.833 -0.823) 3.920 3.072 ( 0.000 -0.013 2.160) 2.160 3.341 ( 0.000 11.082 -19.480) 22.412 3.746 ( 0.000 -5.889 7.578) 9.597 3.972 ( 0.000 0.170 -14.039) 14.040 4.151 ( 0.000 5.441 7.074) 8.924 4.181 ( 0.000 9.467 3.906) 10.241 4.278 ( 0.000 14.278 -5.711) 15.378 4.346 ( 0.000 2.127 -12.586) 12.764 4.756 ( 0.000 -6.700 3.985) 7.796 4.782 ( 0.000 -8.276 1.322) 8.381 5.119 ( 0.000 -9.576 17.435) 19.892 5.232 ( 0.000 -8.189 3.883) 9.063 5.468 ( 0.000 -0.665 22.427) 22.437 5.694 ( 0.000 -5.334 4.155) 6.761 5.864 ( 0.000 -6.303 -0.985) 6.379 5.918 ( 0.000 -6.632 -10.697) 12.586 6.025 ( 0.000 0.979 1.818) 2.065 6.133 ( 0.000 3.191 -0.496) 3.229 6.227 ( 0.000 -1.128 7.169) 7.257 6.443 ( 0.000 -1.731 -17.257) 17.343 6.466 ( 0.000 -7.651 -9.566) 12.249 6.555 ( 0.000 -1.988 -20.612) 20.708 6.707 ( 0.000 3.776 8.332) 9.147 6.898 ( 0.000 -14.550 5.894) 15.699 6.961 ( 0.000 -18.059 -0.548) 18.068 7.013 ( 0.000 4.163 -16.933) 17.437 7.244 ( 0.000 -7.663 11.763) 14.038 7.506 ( 0.000 7.741 -7.267) 10.618 7.625 ( 0.000 11.476 1.762) 11.610 7.662 ( 0.000 0.260 2.505) 2.519 7.718 ( 0.000 -10.363 -6.862) 12.429 7.720 ( 0.000 14.977 -6.287) 16.243 8.196 ( 0.000 1.855 6.547) 6.804 8.340 ( 0.000 1.712 -5.516) 5.776 8.484 ( 0.000 -8.755 16.407) 18.597 8.613 ( 0.000 1.106 2.288) 2.541 8.762 ( 0.000 7.440 5.262) 9.113 8.996 ( 0.000 6.630 0.846) 6.684 9.012 ( 0.000 9.013 -0.394) 9.022 9.078 ( 0.000 -6.639 -16.218) 17.524 9.157 ( 0.000 12.321 12.283) 17.398 9.361 ( 0.000 6.794 -6.493) 9.398 9.428 ( 0.000 -5.988 4.577) 7.537 9.572 ( 0.000 -4.651 -5.134) 6.927 9.599 ( 0.000 0.900 5.660) 5.731 9.721 ( 0.000 0.745 -6.279) 6.324 9.807 ( 0.000 -1.610 6.085) 6.294 9.820 ( 0.000 5.069 5.465) 7.454 9.891 ( 0.000 -0.964 1.245) 1.574 9.949 ( 0.000 4.975 -5.123) 7.141 9.999 ( 0.000 5.463 -0.039) 5.463 10.091 ( 0.000 8.923 -7.042) 11.367 10.296 ( 0.000 -2.238 5.919) 6.328 10.475 ( 0.000 0.963 -10.596) 10.639 10.519 ( 0.000 -11.399 4.540) 12.270 10.690 ( 0.000 -0.380 -2.958) 2.982 10.726 ( 0.000 -7.587 -13.346) 15.352 10.754 ( 0.000 -4.536 -6.795) 8.170 10.925 ( 0.000 -11.523 8.190) 14.137 11.056 ( 0.000 6.251 2.923) 6.901 11.124 ( 0.000 -6.913 -9.416) 11.682 11.191 ( 0.000 0.187 -10.030) 10.032 11.266 ( 0.000 2.453 6.074) 6.551 11.372 ( 0.000 -1.705 -3.557) 3.945 11.446 ( 0.000 4.573 1.819) 4.921 11.523 ( 0.000 4.571 -6.013) 7.553 11.647 ( 0.000 0.925 8.972) 9.020 11.818 ( 0.000 -1.675 -7.357) 7.545 12.079 ( 0.000 5.710 9.337) 10.944 12.094 ( 0.000 2.673 6.991) 7.484 12.148 ( 0.000 3.464 5.709) 6.677 12.210 ( 0.000 13.310 -4.215) 13.962 12.332 ( 0.000 7.003 4.403) 8.272 12.451 ( 0.000 -4.454 7.400) 8.637 12.496 ( 0.000 8.526 -4.694) 9.733 12.594 ( 0.000 -11.301 -2.380) 11.549 12.775 ( 0.000 -0.184 16.725) 16.726 12.817 ( 0.000 -6.631 10.771) 12.648 12.909 ( 0.000 -1.620 0.413) 1.671 12.911 ( 0.000 -2.928 8.159) 8.668 12.992 ( 0.000 0.062 6.769) 6.769 13.052 ( 0.000 3.879 13.734) 14.271 13.106 ( 0.000 0.463 -2.537) 2.579 13.142 ( 0.000 8.330 -6.388) 10.497 13.261 ( 0.000 6.596 -11.793) 13.512 13.521 ( 0.000 0.922 -14.017) 14.048 13.690 ( 0.000 -3.675 15.938) 16.356 14.008 ( 0.000 1.982 5.611) 5.951 14.034 ( 0.000 -7.228 -3.919) 8.222 14.116 ( 0.000 -1.642 -9.076) 9.224 14.122 ( 0.000 0.253 -8.577) 8.581 14.305 ( 0.000 -3.334 -15.036) 15.401 14.337 ( 0.000 -0.814 -0.135) 0.826 14.551 ( 0.000 4.457 -11.421) 12.259 14.624 ( 0.000 -5.328 8.492) 10.026 14.844 ( 0.000 -2.896 -11.011) 11.386 15.330 ( 0.000 6.076 17.666) 18.682 15.400 ( 0.000 5.352 4.230) 6.822 15.483 ( 0.000 5.376 -4.220) 6.835 15.726 ( 0.000 1.570 -14.353) 14.438 15.786 ( 0.000 1.930 -1.359) 2.361 15.836 ( 0.000 -2.658 -2.921) 3.949 15.953 ( 0.000 -13.433 6.500) 14.923 16.114 ( 0.000 -10.216 -8.146) 13.066 16.353 ( 0.000 2.301 4.198) 4.787 16.455 ( 0.000 5.025 -5.321) 7.319 16.503 ( 0.000 -12.631 11.255) 16.919 16.714 ( 0.000 -5.722 -8.815) 10.510 16.913 ( 0.000 7.144 9.619) 11.981 17.147 ( 0.000 5.365 -13.013) 14.075 17.328 ( 0.000 -6.692 5.054) 8.386 17.402 ( 0.000 4.802 12.340) 13.241 17.435 ( 0.000 -3.131 -4.631) 5.590 17.604 ( 0.000 3.568 -7.792) 8.570 17.700 ( 0.000 0.938 10.555) 10.597 17.880 ( 0.000 0.759 -7.060) 7.101 18.705 ( 0.000 1.442 7.287) 7.428 18.823 ( 0.000 1.665 -2.684) 3.158 18.829 ( 0.000 -0.463 9.931) 9.942 18.997 ( 0.000 -5.303 -4.905) 7.224 19.518 ( 0.000 1.317 2.916) 3.200 19.566 ( 0.000 -0.294 2.666) 2.682 19.599 ( 0.000 0.066 -3.787) 3.788 19.645 ( 0.000 -0.322 -5.000) 5.011 20.526 ( 0.000 5.545 4.470) 7.122 20.633 ( 0.000 11.283 -6.186) 12.867 20.901 ( 0.000 -3.766 15.277) 15.734 21.195 ( 0.000 -4.496 -12.579) 13.358 24.964 ( 0.000 1.565 3.463) 3.800 25.039 ( 0.000 1.758 -3.688) 4.086 25.094 ( 0.000 -1.642 4.452) 4.745 25.191 ( 0.000 -2.056 -4.643) 5.078 26.441 ( 0.000 3.239 2.076) 3.847 26.488 ( 0.000 4.534 -2.464) 5.161 26.539 ( 0.000 0.723 4.097) 4.160 26.632 ( 0.000 0.075 -4.616) 4.617 26.921 ( 0.000 3.654 5.055) 6.237 27.032 ( 0.000 2.715 -5.693) 6.307 27.170 ( 0.000 -0.969 2.818) 2.980 27.235 ( 0.000 -2.186 -3.478) 4.107 27.428 ( 0.000 0.706 2.225) 2.335 27.450 ( 0.000 1.187 0.515) 1.294 27.640 ( 0.000 -4.755 5.180) 7.031 27.712 ( 0.000 -7.398 -1.135) 7.485 28.555 ( 0.000 -0.231 3.531) 3.538 28.582 ( 0.000 -2.747 2.846) 3.956 28.602 ( 0.000 -0.742 0.470) 0.878 28.620 ( 0.000 -0.713 -2.391) 2.495 29.196 ( 0.000 5.076 3.525) 6.180 29.313 ( 0.000 10.273 -7.027) 12.447 29.409 ( 0.000 -1.363 9.057) 9.159 29.631 ( 0.000 -0.303 -11.720) 11.724 30.194 ( 0.000 -3.410 7.437) 8.182 30.194 ( 0.000 -4.015 5.052) 6.453 30.307 ( 0.000 -4.934 -5.209) 7.175 30.346 ( 0.000 -2.997 -7.017) 7.630 ======================= Grid point 78 (30/36) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 8.260 2.316 8.660) 12.190 1.295 ( 8.002 0.252 -1.456) 8.137 1.320 ( 9.961 0.097 1.238) 10.038 1.360 ( 12.574 -0.373 -1.435) 12.661 1.459 ( 6.060 8.712 13.857) 17.454 1.673 ( 1.064 1.924 -1.087) 2.452 1.750 ( 3.240 4.062 -3.389) 6.203 1.796 ( 1.066 1.719 -4.386) 4.830 1.937 ( 1.663 0.995 1.422) 2.404 1.971 ( 1.186 -0.908 -1.651) 2.226 2.003 ( 0.774 -2.103 6.107) 6.505 2.130 ( -2.016 -1.345 -5.097) 5.644 2.206 ( -2.638 2.202 13.747) 14.170 2.333 ( -8.181 -1.750 -1.841) 8.566 2.445 ( 0.811 0.087 2.637) 2.761 2.511 ( -1.277 -0.224 -1.721) 2.155 2.607 ( -4.567 -0.847 1.199) 4.797 2.627 ( -4.607 0.342 -0.799) 4.689 2.697 ( 1.416 -0.699 0.594) 1.687 2.702 ( -0.658 -1.604 -0.018) 1.734 2.797 ( 0.691 0.110 1.449) 1.609 2.839 ( 2.626 2.965 -2.335) 4.598 2.904 ( 6.245 -1.164 4.555) 7.816 3.005 ( 8.430 1.470 -4.904) 9.863 3.255 ( 20.405 6.645 8.484) 23.076 3.508 ( 13.150 8.960 -13.586) 20.923 4.024 ( 4.857 -2.361 3.864) 6.641 4.071 ( 8.479 0.002 1.442) 8.601 4.164 ( -1.262 3.914 0.381) 4.130 4.268 ( 17.338 5.666 -5.814) 19.144 4.280 ( 11.813 4.709 -1.167) 12.771 4.369 ( 5.629 11.570 -6.964) 14.631 4.776 ( 0.945 -5.974 2.125) 6.410 4.815 ( 5.964 -3.199 -2.589) 7.246 5.144 ( 2.759 -8.254 16.009) 18.222 5.197 ( -1.366 -11.987 6.246) 13.586 5.500 ( 1.697 -0.959 21.584) 21.671 5.592 ( -5.484 -7.447 9.345) 13.148 5.878 ( 2.980 -5.218 -9.061) 10.872 5.982 ( -0.271 -3.711 7.038) 7.961 6.111 ( 1.591 -1.652 2.179) 3.164 6.120 ( 4.533 1.953 -6.891) 8.476 6.267 ( 0.842 0.615 -0.515) 1.163 6.337 ( -6.520 -4.290 -15.490) 17.345 6.401 ( -3.382 -3.591 -18.141) 18.800 6.534 ( -2.083 1.303 -19.030) 19.188 6.743 ( 3.997 0.841 8.317) 9.266 6.867 ( -1.352 -3.249 3.906) 5.257 7.046 ( 3.224 -3.024 -0.578) 4.458 7.163 ( 7.915 -2.503 -5.892) 10.180 7.262 ( 6.071 -6.933 1.985) 9.427 7.419 ( 0.612 8.132 -8.457) 11.748 7.600 ( 0.609 -2.044 2.189) 3.056 7.706 ( 2.743 -4.855 -7.471) 9.323 7.885 ( 12.514 1.298 5.535) 13.745 7.961 ( 14.265 8.099 0.098) 16.404 8.252 ( 4.611 2.261 5.177) 7.292 8.328 ( -2.011 4.991 -0.253) 5.387 8.491 ( 0.649 -6.484 14.713) 16.092 8.683 ( 6.253 -2.288 -2.771) 7.212 8.735 ( -2.038 6.654 7.852) 10.492 8.929 ( -4.470 1.243 -2.061) 5.076 8.984 ( -2.916 8.553 0.069) 9.037 9.078 ( -0.433 5.993 3.918) 7.173 9.117 ( -0.446 0.626 -7.102) 7.144 9.264 ( -5.449 8.459 -7.072) 12.298 9.477 ( -2.042 -7.837 1.041) 8.165 9.503 ( -3.618 -4.597 0.670) 5.888 9.606 ( -0.305 -2.776 5.092) 5.808 9.670 ( -8.705 -1.774 2.434) 9.211 9.712 ( -4.728 -0.397 -0.833) 4.818 9.755 ( -2.756 1.659 -5.229) 6.139 9.931 ( 2.152 -0.216 4.956) 5.408 10.053 ( 3.728 1.903 -4.528) 6.166 10.135 ( -2.797 2.611 2.653) 4.656 10.184 ( 7.266 3.951 1.309) 8.373 10.202 ( 10.960 11.287 -4.230) 16.291 10.270 ( -11.735 -1.686 -6.758) 13.646 10.559 ( 0.131 -4.668 3.238) 5.683 10.713 ( -1.932 -4.008 -10.221) 11.148 10.749 ( 1.882 -0.937 -1.587) 2.634 10.806 ( 0.920 -3.651 -6.039) 7.117 10.888 ( -2.137 -5.951 5.899) 8.648 11.005 ( -10.307 5.168 0.691) 11.551 11.048 ( -4.982 0.171 -1.845) 5.316 11.141 ( -4.718 1.566 -7.794) 9.244 11.163 ( -7.747 1.479 3.917) 8.806 11.270 ( -14.228 -0.588 -3.050) 14.563 11.313 ( -6.068 -1.597 -1.550) 6.463 11.415 ( -10.150 -4.047 -7.340) 13.163 11.496 ( -7.485 -2.594 5.575) 9.687 11.605 ( -10.380 -5.416 -4.009) 12.375 11.911 ( -2.516 -0.498 2.412) 3.520 11.988 ( 0.680 0.854 -4.020) 4.166 12.139 ( -5.654 4.723 4.692) 8.734 12.208 ( -5.582 6.631 -1.529) 8.802 12.320 ( 0.134 7.061 10.520) 12.671 12.365 ( -5.959 3.487 6.078) 9.199 12.487 ( -12.053 -2.910 7.070) 14.273 12.566 ( -4.017 2.505 1.779) 5.058 12.818 ( -1.251 -5.718 6.430) 8.695 12.875 ( 3.939 -0.100 1.180) 4.113 12.905 ( -3.140 0.138 3.555) 4.746 12.939 ( 2.536 0.953 4.135) 4.944 13.093 ( 3.847 9.955 11.706) 15.841 13.186 ( 16.895 -2.718 2.182) 17.251 13.294 ( 13.980 3.249 -2.499) 14.569 13.447 ( 23.459 1.686 2.269) 23.629 13.525 ( 24.708 0.442 -4.243) 25.073 13.651 ( 5.857 -2.392 7.493) 9.807 13.735 ( 9.197 1.348 3.451) 9.915 13.944 ( -4.368 1.635 0.987) 4.767 14.051 ( -0.680 -4.532 1.546) 4.837 14.104 ( 0.897 -2.007 -6.770) 7.118 14.168 ( 1.082 -2.287 -18.970) 19.137 14.211 ( -0.409 -1.000 -11.461) 11.512 14.463 ( 2.650 -1.987 -8.276) 8.914 14.498 ( 1.497 -0.009 -8.312) 8.446 14.723 ( 8.856 -3.274 10.963) 14.469 14.948 ( 7.727 -1.084 -4.913) 9.220 15.286 ( -10.512 4.783 4.582) 12.425 15.304 ( -7.854 3.884 -0.872) 8.805 15.439 ( 5.837 4.720 1.084) 7.585 15.674 ( -2.927 -0.334 -12.772) 13.107 15.818 ( -0.219 -1.957 4.629) 5.031 15.886 ( 6.326 0.840 -3.376) 7.219 16.109 ( 7.501 -10.097 4.504) 13.360 16.212 ( 5.117 -5.570 -5.480) 9.340 16.322 ( -1.296 -7.068 3.815) 8.136 16.412 ( -0.999 1.879 -3.733) 4.297 16.572 ( 4.636 -4.188 5.731) 8.478 16.709 ( 0.788 0.333 -5.047) 5.119 16.952 ( 2.993 4.813 6.259) 8.444 17.148 ( -0.313 3.047 -9.945) 10.406 17.277 ( -3.187 -1.913 7.606) 8.465 17.376 ( -1.368 -0.530 3.333) 3.642 17.439 ( -0.841 -0.293 -1.715) 1.932 17.568 ( -2.934 3.735 -8.135) 9.420 17.713 ( 0.523 -0.704 9.675) 9.715 17.869 ( -1.334 -0.596 -5.866) 6.045 18.696 ( -0.683 1.234 7.012) 7.153 18.806 ( -1.316 0.903 -1.459) 2.162 18.831 ( 0.267 -0.644 8.053) 8.083 18.984 ( -1.152 -4.120 -4.426) 6.155 19.344 ( -10.339 4.288 1.478) 11.290 19.369 ( -11.466 4.378 -0.386) 12.279 19.646 ( 1.272 -1.355 5.045) 5.376 19.772 ( 2.620 -3.637 -6.835) 8.174 20.449 ( -6.267 5.200 3.303) 8.788 20.530 ( -8.422 9.699 -4.501) 13.611 20.806 ( -8.560 -3.407 12.701) 15.691 21.059 ( -12.192 -4.222 -10.965) 16.932 24.983 ( 1.701 1.207 3.138) 3.768 25.058 ( 1.554 0.933 -4.088) 4.472 25.100 ( 0.511 -1.134 3.833) 4.030 25.185 ( -0.507 -1.628 -4.051) 4.395 26.440 ( 0.088 2.791 1.759) 3.300 26.481 ( -0.542 4.091 -2.084) 4.623 26.532 ( -0.611 0.810 3.451) 3.597 26.613 ( -1.661 0.132 -4.143) 4.466 26.897 ( -1.888 3.352 4.236) 5.722 26.977 ( -3.843 2.521 -3.318) 5.669 27.239 ( 4.779 -0.859 0.911) 4.941 27.264 ( 0.296 -3.234 -0.862) 3.360 27.362 ( -4.309 -1.306 1.137) 4.644 27.373 ( -6.206 -0.530 0.510) 6.249 27.639 ( -1.662 -3.326 5.818) 6.905 27.678 ( -0.001 -1.660 1.753) 2.414 28.561 ( 6.011 0.777 2.317) 6.489 28.587 ( 5.793 0.628 -0.339) 5.837 28.783 ( 12.477 -1.087 5.396) 13.637 28.897 ( 15.297 -4.006 -5.285) 16.673 29.187 ( -0.797 4.893 3.216) 5.910 29.295 ( -1.338 9.001 -5.969) 10.883 29.413 ( 0.328 -1.103 8.266) 8.346 29.627 ( -0.330 -0.884 -11.350) 11.390 30.018 ( -10.258 -1.401 5.680) 11.808 30.150 ( -11.437 -2.908 -6.043) 13.258 30.221 ( -2.535 -4.774 4.648) 7.129 30.324 ( -4.383 -4.101 -4.945) 7.777 ======================= Grid point 79 (31/36) ======================= q-point: ( 0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 10.325 1.584 6.895) 12.516 1.497 ( 9.937 1.517 -3.294) 10.578 1.527 ( 9.124 1.614 4.328) 10.226 1.602 ( 6.812 0.153 6.762) 9.600 1.640 ( 11.267 -0.457 -4.448) 12.122 1.720 ( 3.216 0.579 -2.504) 4.117 1.805 ( 2.208 0.588 -0.522) 2.344 1.834 ( 2.267 1.839 -2.447) 3.809 1.983 ( 0.797 0.723 3.715) 3.868 1.999 ( 1.388 0.923 0.873) 1.882 2.008 ( -0.516 1.662 0.379) 1.781 2.067 ( -3.937 0.637 -2.580) 4.750 2.122 ( -3.446 -2.953 1.671) 4.837 2.143 ( -8.968 -2.582 -0.497) 9.345 2.377 ( -6.431 -1.032 1.537) 6.692 2.409 ( -6.662 -0.114 -1.344) 6.797 2.566 ( 1.069 1.022 3.445) 3.749 2.609 ( 1.408 0.444 -0.565) 1.581 2.689 ( -0.473 -1.884 4.530) 4.930 2.752 ( 1.331 -2.384 -0.932) 2.885 2.808 ( 1.600 1.161 4.208) 4.649 2.904 ( 3.940 2.873 -4.716) 6.784 2.971 ( 1.043 -1.713 5.553) 5.904 3.102 ( 1.744 -1.585 -7.017) 7.402 3.657 ( 10.606 4.808 2.464) 11.902 3.716 ( 5.016 5.659 -2.429) 7.943 3.868 ( -9.168 2.292 4.571) 10.497 3.952 ( -3.230 2.984 -3.173) 5.423 4.453 ( 8.936 6.445 1.684) 11.145 4.483 ( 3.830 4.299 -1.456) 5.939 4.649 ( 12.603 1.913 -3.588) 13.243 4.685 ( 13.892 3.896 -7.364) 16.199 5.046 ( 26.431 -7.547 8.722) 28.838 5.161 ( 17.894 -5.048 3.770) 18.971 5.183 ( 0.596 -10.485 4.381) 11.379 5.267 ( 20.134 -6.883 1.857) 21.359 5.509 ( -3.104 -8.587 17.074) 19.362 5.592 ( 12.173 -0.322 22.687) 25.748 5.919 ( 1.430 -5.164 -2.541) 5.931 6.039 ( -9.007 -1.977 -7.278) 11.747 6.067 ( 6.073 1.204 -2.416) 6.646 6.103 ( 1.570 0.707 -0.349) 1.757 6.239 ( -5.405 0.372 -7.244) 9.046 6.338 ( 1.514 1.578 -1.973) 2.946 6.383 ( 8.408 2.430 -25.804) 27.247 6.549 ( 2.053 2.219 -17.421) 17.681 6.712 ( -4.454 -3.133 7.605) 9.354 6.901 ( -1.447 -4.164 -8.982) 10.006 7.084 ( 4.324 5.124 9.638) 11.741 7.314 ( 6.130 2.390 -9.081) 11.214 7.446 ( 11.059 1.634 -0.139) 11.180 7.566 ( 10.534 1.246 -8.905) 13.850 7.680 ( 6.184 -3.445 6.221) 9.424 7.786 ( 3.017 -3.158 -3.181) 5.403 7.998 ( -1.517 3.051 13.539) 13.961 8.216 ( 0.804 10.270 -4.985) 11.444 8.244 ( -1.878 4.828 5.131) 7.291 8.301 ( -0.145 3.203 -0.730) 3.289 8.543 ( 4.084 -2.967 13.576) 14.484 8.673 ( -4.792 4.240 3.350) 7.222 8.776 ( -4.804 -0.563 3.755) 6.124 8.867 ( 3.890 -3.282 -0.836) 5.158 8.944 ( -1.131 7.637 -3.368) 8.423 9.049 ( -4.555 4.487 -7.477) 9.838 9.140 ( 4.061 -1.166 4.674) 6.300 9.219 ( 1.180 0.169 -2.042) 2.365 9.365 ( -4.637 -5.702 3.297) 8.055 9.421 ( -4.154 -8.329 -0.666) 9.331 9.489 ( -6.176 -2.387 1.490) 6.787 9.564 ( -4.442 -0.219 -1.704) 4.762 9.641 ( 1.008 -6.437 -0.086) 6.516 9.751 ( 1.390 0.292 -6.029) 6.194 9.860 ( -8.806 -5.998 2.702) 10.992 9.932 ( -6.719 -4.956 -2.718) 8.780 10.094 ( 1.011 2.553 3.188) 4.208 10.206 ( 2.702 8.280 -7.024) 11.189 10.357 ( 1.225 3.632 4.158) 5.655 10.461 ( 3.249 3.397 -3.548) 5.890 10.482 ( -8.604 2.479 1.283) 9.046 10.616 ( -9.086 -1.137 -7.387) 11.765 10.681 ( -4.699 3.199 -1.435) 5.863 10.697 ( -2.176 2.497 -0.525) 3.353 10.814 ( -8.131 -1.092 1.483) 8.337 10.857 ( -7.732 1.419 -2.472) 8.241 10.868 ( -0.803 -1.637 2.035) 2.733 10.954 ( -5.572 0.285 -1.902) 5.895 11.068 ( -0.956 -0.094 -3.497) 3.627 11.127 ( 2.265 -2.833 -6.322) 7.288 11.182 ( -3.146 -4.520 2.668) 6.119 11.326 ( 0.090 -2.614 -7.327) 7.780 11.464 ( -1.235 -1.591 1.088) 2.289 11.534 ( -0.748 -5.969 -4.377) 7.440 11.820 ( -7.184 3.420 4.603) 9.192 11.952 ( -4.065 3.655 -5.180) 7.531 12.020 ( -3.893 1.216 4.847) 6.334 12.073 ( -8.804 1.324 4.258) 9.869 12.214 ( -5.037 0.264 9.431) 10.695 12.306 ( -5.697 -1.813 -0.996) 6.061 12.338 ( -0.520 1.200 7.137) 7.256 12.493 ( -3.233 4.923 -2.682) 6.472 12.764 ( -1.892 -3.386 7.771) 8.685 12.814 ( -3.439 -3.491 -0.619) 4.939 12.854 ( -3.787 0.964 0.695) 3.969 12.898 ( -3.679 -0.693 0.174) 3.748 13.181 ( 5.253 7.942 15.816) 18.461 13.435 ( 9.448 3.938 -7.885) 12.921 13.590 ( -0.121 -1.643 10.729) 10.854 13.705 ( 7.728 0.580 16.203) 17.961 13.854 ( 0.276 -1.516 1.247) 1.982 13.873 ( 9.887 0.713 3.925) 10.661 13.990 ( 11.892 -2.449 -10.711) 16.191 14.017 ( 8.730 -3.653 -1.518) 9.585 14.056 ( 1.151 -2.648 0.715) 2.974 14.147 ( 7.267 -1.230 -12.042) 14.118 14.211 ( 11.757 0.424 -2.387) 12.005 14.320 ( 7.496 -1.349 -12.157) 14.346 14.503 ( 4.039 2.510 1.232) 4.912 14.627 ( 8.481 -2.962 -9.222) 12.874 14.913 ( 2.764 -0.926 8.570) 9.052 15.040 ( -0.099 4.240 7.636) 8.735 15.142 ( -5.659 0.890 -9.476) 11.073 15.197 ( 9.665 0.224 -4.138) 10.516 15.610 ( 5.950 1.862 -7.113) 9.459 15.644 ( 2.566 2.343 -7.119) 7.921 15.784 ( -3.322 -2.447 8.431) 9.387 15.965 ( -0.817 2.182 -8.662) 8.970 16.057 ( -7.632 -5.939 6.802) 11.823 16.152 ( -7.935 -1.741 -1.689) 8.298 16.450 ( 8.923 -6.197 0.270) 10.867 16.500 ( 6.702 -0.935 -3.977) 7.850 16.655 ( 2.247 -1.336 3.681) 4.515 16.736 ( 0.644 0.327 -2.349) 2.457 17.021 ( 3.722 2.395 4.604) 6.387 17.138 ( 0.720 -0.220 0.628) 0.980 17.261 ( 1.134 -0.822 -1.683) 2.190 17.344 ( -1.598 -1.793 -1.204) 2.686 17.409 ( -1.134 1.396 -0.445) 1.853 17.516 ( -1.268 3.467 -7.183) 8.076 17.689 ( -3.260 -1.797 7.629) 8.489 17.811 ( -4.544 -1.625 -4.337) 6.488 18.686 ( -0.109 0.581 7.065) 7.090 18.781 ( -1.132 -0.609 2.458) 2.774 18.835 ( -0.379 -0.678 2.546) 2.661 18.955 ( -1.861 -3.339 -4.214) 5.690 19.171 ( -4.223 7.312 2.422) 8.785 19.198 ( -3.859 7.589 0.244) 8.517 19.584 ( -7.160 -0.837 6.511) 9.714 19.722 ( -7.155 -2.042 -6.362) 9.789 20.329 ( -4.056 2.817 0.900) 5.020 20.363 ( -5.949 5.306 -2.299) 8.297 20.590 ( -10.983 -2.637 7.861) 13.762 20.753 ( -15.628 -3.244 -7.299) 17.551 25.028 ( 2.494 0.604 2.355) 3.483 25.092 ( 1.463 -0.327 -2.776) 3.154 25.112 ( 0.542 -0.182 1.532) 1.635 25.172 ( -0.697 -0.902 -3.084) 3.288 26.451 ( 0.909 2.095 1.136) 2.551 26.477 ( 0.331 3.198 -1.309) 3.471 26.516 ( -0.824 0.948 2.191) 2.526 26.572 ( -2.114 0.449 -3.066) 3.752 26.863 ( -0.909 2.365 2.970) 3.904 26.904 ( -2.787 1.905 -0.990) 3.518 27.124 ( -9.316 -3.257 4.430) 10.817 27.169 ( -9.138 -1.113 -0.183) 9.208 27.377 ( 5.904 -0.820 2.222) 6.362 27.424 ( 5.634 -1.179 -2.237) 6.176 27.610 ( -1.253 -1.368 6.436) 6.698 27.679 ( -0.855 -0.457 -0.114) 0.976 28.758 ( 11.085 1.559 0.793) 11.222 28.771 ( 10.568 1.392 -0.474) 10.670 29.022 ( 8.232 -0.276 6.313) 10.378 29.147 ( 5.321 0.579 -5.197) 7.460 29.175 ( 2.591 2.485 4.153) 5.490 29.281 ( 0.731 5.945 -4.408) 7.436 29.416 ( -0.593 -1.412 8.091) 8.234 29.615 ( -1.286 -2.104 -10.407) 10.696 29.842 ( -4.966 -0.658 0.178) 5.013 29.904 ( -10.141 -1.044 -4.310) 11.069 30.121 ( -6.474 -5.065 2.500) 8.591 30.183 ( -8.425 -3.661 -3.208) 9.730 ======================= Grid point 80 (32/36) ======================= q-point: ( 0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 10.053 0.317 4.124) 10.870 1.640 ( 4.002 0.643 2.117) 4.573 1.672 ( 1.667 -0.609 0.407) 1.821 1.729 ( 7.649 0.436 0.083) 7.662 1.752 ( -1.319 0.673 -3.438) 3.743 1.805 ( 1.316 -0.966 -4.730) 5.004 1.823 ( -1.279 -2.137 1.426) 2.870 1.879 ( 4.142 1.081 1.705) 4.608 1.907 ( -5.557 1.615 -0.684) 5.828 1.954 ( -2.081 0.452 -1.281) 2.485 1.967 ( -2.526 1.188 1.059) 2.985 1.989 ( -4.288 1.318 -0.907) 4.577 2.108 ( 5.243 -0.334 2.467) 5.804 2.160 ( 4.861 -2.684 -2.241) 5.988 2.237 ( -6.687 -0.148 1.927) 6.960 2.277 ( -6.010 -1.550 -1.775) 6.456 2.610 ( 2.750 0.676 4.725) 5.508 2.650 ( 1.345 -0.296 2.665) 2.999 2.671 ( -0.406 0.386 3.158) 3.208 2.722 ( -2.883 -0.590 0.286) 2.957 2.883 ( 4.247 -0.887 4.651) 6.360 2.955 ( -2.282 -1.785 5.570) 6.278 3.002 ( 4.940 0.623 -6.341) 8.062 3.089 ( -2.842 -1.183 -7.041) 7.685 3.680 ( -1.603 3.104 7.257) 8.054 3.703 ( -2.516 2.143 8.359) 8.989 3.843 ( 2.359 5.190 -7.229) 9.206 3.910 ( -2.707 2.064 -9.784) 10.359 4.563 ( 7.581 3.609 5.096) 9.822 4.629 ( 8.264 3.123 -0.662) 8.859 4.753 ( -4.657 -1.087 1.138) 4.916 4.773 ( -5.504 0.905 -0.674) 5.619 5.132 ( 6.215 -6.849 15.214) 17.804 5.327 ( -2.879 -6.167 14.067) 15.627 5.340 ( 6.862 -8.470 -0.502) 10.912 5.600 ( -4.588 -3.814 -0.563) 5.993 5.821 ( 11.108 -2.384 3.805) 11.982 5.894 ( 16.729 1.743 -4.359) 17.375 5.978 ( -0.657 -5.911 2.729) 6.543 6.024 ( 8.504 4.487 -5.042) 10.857 6.111 ( 6.111 0.863 0.730) 6.215 6.184 ( 0.025 -0.196 9.229) 9.231 6.297 ( 16.384 -4.066 -8.256) 18.792 6.426 ( 8.720 2.694 2.169) 9.381 6.552 ( 5.715 -1.292 -19.506) 20.367 6.616 ( 3.959 1.062 -18.506) 18.954 6.668 ( -4.609 -4.994 -4.605) 8.209 6.738 ( -10.355 -8.472 -9.475) 16.394 7.196 ( 6.865 9.712 13.051) 17.657 7.428 ( 1.718 5.973 -2.789) 6.812 7.503 ( -10.177 9.019 0.290) 13.602 7.643 ( -7.436 3.420 -5.470) 9.844 7.847 ( 12.099 3.581 2.222) 12.812 7.881 ( 14.238 0.598 -1.249) 14.305 7.995 ( 2.591 5.030 15.502) 16.502 8.114 ( -2.526 3.055 2.978) 4.958 8.150 ( -7.323 -2.334 3.729) 8.543 8.338 ( -0.543 7.292 -8.735) 11.392 8.361 ( -16.200 2.506 -1.019) 16.425 8.478 ( -11.846 7.832 -7.764) 16.185 8.804 ( 6.936 2.185 9.129) 11.671 8.905 ( -0.542 1.791 4.180) 4.580 8.952 ( -1.026 -0.397 -0.822) 1.374 8.974 ( -1.694 2.403 -5.132) 5.915 9.186 ( 3.020 -7.274 6.530) 10.231 9.271 ( -0.907 -5.588 4.391) 7.164 9.316 ( 0.969 -8.780 -0.867) 8.876 9.385 ( -1.843 -5.431 -2.528) 6.268 9.473 ( 4.969 -3.132 2.800) 6.507 9.533 ( 2.269 -1.739 -2.912) 4.081 9.602 ( -5.996 -2.424 2.724) 7.018 9.655 ( -8.216 -4.242 -1.327) 9.341 9.865 ( 9.645 -9.803 1.449) 13.828 9.979 ( 7.659 0.930 -7.388) 10.683 10.108 ( -4.716 -4.925 -0.194) 6.822 10.153 ( -6.753 0.351 -2.575) 7.236 10.239 ( -4.067 3.630 5.479) 7.729 10.313 ( -4.167 3.833 2.506) 6.192 10.360 ( -5.118 0.961 -4.235) 6.712 10.396 ( -6.370 2.581 -4.582) 8.260 10.686 ( 0.655 1.767 -1.413) 2.355 10.735 ( -2.514 1.651 -1.743) 3.477 10.739 ( 1.439 2.454 -6.937) 7.498 10.785 ( -0.948 2.776 -5.566) 6.292 10.915 ( 2.269 -1.830 2.189) 3.645 10.947 ( 3.527 1.911 5.080) 6.473 11.056 ( 0.010 1.912 -4.392) 4.790 11.109 ( -2.774 -0.223 -5.184) 5.884 11.270 ( 7.516 -2.756 0.138) 8.007 11.358 ( 3.243 -1.932 -5.231) 6.450 11.412 ( -3.872 -2.990 -1.518) 5.123 11.480 ( -4.983 -2.272 -6.106) 8.202 11.730 ( 1.316 4.009 11.475) 12.227 11.856 ( -8.029 1.953 8.940) 12.174 11.890 ( -3.051 3.961 2.833) 5.747 11.926 ( -4.804 3.336 4.118) 7.153 12.184 ( 1.555 -1.356 2.886) 3.547 12.246 ( -2.869 -2.444 1.137) 3.936 12.308 ( 1.245 0.379 -5.006) 5.173 12.404 ( -5.533 1.730 -8.038) 9.911 12.742 ( 0.118 -3.515 5.122) 6.213 12.769 ( -1.116 -2.865 6.010) 6.751 12.821 ( -0.230 -0.213 0.694) 0.761 12.832 ( -1.871 -1.474 1.189) 2.662 13.310 ( 7.156 3.463 17.144) 18.897 13.467 ( -7.354 -1.161 15.945) 17.598 13.649 ( 9.639 1.597 -12.785) 16.091 13.819 ( 0.312 -0.922 -5.830) 5.911 13.826 ( -0.411 0.039 -1.951) 1.994 13.918 ( -0.591 -2.072 1.897) 2.870 13.952 ( -2.490 -1.395 0.954) 3.010 14.024 ( -4.553 -1.885 -4.243) 6.503 14.283 ( 10.098 -3.286 2.336) 10.873 14.369 ( 4.236 -3.975 -2.820) 6.457 14.429 ( 5.425 0.547 -2.486) 5.992 14.441 ( 4.392 -3.383 -1.906) 5.862 14.641 ( 7.606 3.617 6.692) 10.757 14.768 ( -1.937 3.245 4.780) 6.093 14.847 ( 3.771 2.105 -7.394) 8.563 14.976 ( -5.962 -0.010 -7.867) 9.871 15.287 ( 13.278 -1.752 8.502) 15.864 15.466 ( 13.450 2.409 -5.249) 14.638 15.549 ( -9.148 1.229 9.545) 13.278 15.685 ( -3.208 0.087 -1.833) 3.696 15.808 ( -0.435 1.665 -5.878) 6.125 15.879 ( -0.653 -0.924 -3.867) 4.029 15.896 ( -3.506 0.368 -4.795) 5.952 16.023 ( -5.676 0.837 -8.742) 10.457 16.584 ( 3.475 -0.732 0.424) 3.576 16.599 ( 3.300 -2.096 0.320) 3.923 16.659 ( -0.603 -1.066 -0.340) 1.271 16.710 ( -3.169 -0.883 -3.365) 4.706 17.116 ( 4.865 -2.401 6.496) 8.464 17.172 ( 0.393 -5.042 4.893) 7.037 17.290 ( 1.430 -1.766 -6.255) 6.654 17.316 ( -1.131 -1.825 -4.016) 4.554 17.436 ( 4.403 1.972 3.183) 5.780 17.535 ( 1.495 1.823 -1.703) 2.908 17.586 ( -4.208 0.956 1.735) 4.651 17.683 ( -7.215 0.626 -4.369) 8.457 18.698 ( 1.386 -0.184 7.457) 7.587 18.743 ( -2.606 -1.582 7.710) 8.290 18.829 ( 1.008 0.972 -3.584) 3.848 18.886 ( -4.046 -1.465 -4.547) 6.260 19.197 ( 5.992 4.596 4.452) 8.766 19.262 ( 8.502 6.351 -0.644) 10.632 19.389 ( -9.806 2.057 5.097) 11.242 19.509 ( -12.182 2.952 -5.330) 13.621 20.306 ( 1.628 -0.086 0.246) 1.648 20.321 ( 2.475 0.438 -1.097) 2.743 20.395 ( -7.129 -1.653 3.159) 7.971 20.467 ( -11.031 -1.874 -3.483) 11.719 25.077 ( 1.978 0.303 1.790) 2.684 25.104 ( -0.524 -0.005 1.889) 1.960 25.130 ( 1.253 -0.440 -3.141) 3.410 25.154 ( -1.036 -0.593 -2.751) 2.999 26.475 ( 1.287 1.503 0.845) 2.151 26.495 ( 1.115 2.148 -0.783) 2.544 26.499 ( -0.709 1.299 0.904) 1.735 26.530 ( -1.913 1.247 -1.788) 2.900 26.877 ( 2.132 0.384 2.309) 3.166 26.880 ( 0.918 0.289 2.021) 2.239 26.962 ( -5.407 -0.729 2.684) 6.080 26.995 ( -6.975 0.017 -0.378) 6.985 27.491 ( 4.825 -0.888 3.094) 5.800 27.542 ( 5.265 -1.405 -1.582) 5.674 27.571 ( -2.717 -1.093 4.725) 5.559 27.634 ( -3.400 -0.981 -1.134) 3.716 28.964 ( 8.058 1.103 0.966) 8.190 28.982 ( 8.848 2.786 -0.594) 9.295 29.074 ( -2.186 1.607 2.920) 3.985 29.115 ( -3.974 3.662 -0.640) 5.441 29.279 ( 3.288 0.163 3.942) 5.136 29.359 ( -3.789 -0.077 6.596) 7.607 29.366 ( 6.360 2.544 -3.608) 7.742 29.521 ( -7.563 0.445 -7.808) 10.879 29.831 ( 4.086 -3.390 -1.272) 5.460 29.859 ( 4.976 -1.841 -3.882) 6.574 29.970 ( -7.777 -4.834 0.306) 9.163 30.005 ( -8.216 -2.703 -2.789) 9.088 ======================= Grid point 84 (33/36) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.000 3.620 6.445) 7.392 1.173 ( 0.000 -2.637 3.621) 4.480 1.217 ( 0.000 0.873 -3.604) 3.708 1.231 ( 0.000 -0.639 -1.951) 2.053 1.649 ( 0.000 12.129 10.694) 16.170 1.732 ( 0.000 2.389 3.476) 4.218 1.771 ( 0.000 1.217 -1.722) 2.109 1.807 ( 0.000 -1.077 -3.677) 3.832 1.910 ( 0.000 -3.191 9.359) 9.888 1.919 ( 0.000 -2.389 0.853) 2.536 1.981 ( 0.000 5.443 -4.627) 7.144 2.087 ( 0.000 -4.768 -7.090) 8.545 2.330 ( 0.000 4.998 8.661) 9.999 2.394 ( 0.000 -1.763 2.364) 2.949 2.433 ( 0.000 -0.106 -1.253) 1.258 2.449 ( 0.000 -1.998 -3.251) 3.816 2.640 ( 0.000 1.502 4.686) 4.921 2.684 ( 0.000 -2.799 3.859) 4.767 2.715 ( 0.000 0.649 -1.994) 2.097 2.734 ( 0.000 -1.495 -1.195) 1.913 2.784 ( 0.000 1.347 2.996) 3.285 2.800 ( 0.000 0.251 6.085) 6.090 2.855 ( 0.000 3.460 -3.728) 5.086 2.914 ( 0.000 -2.252 -5.105) 5.580 3.233 ( 0.000 17.278 16.004) 23.551 3.557 ( 0.000 -14.677 13.910) 20.221 3.632 ( 0.000 17.915 -20.470) 27.202 3.905 ( 0.000 -9.023 -19.228) 21.240 4.273 ( 0.000 6.614 7.042) 9.661 4.336 ( 0.000 2.709 12.209) 12.506 4.411 ( 0.000 5.428 -7.692) 9.414 4.552 ( 0.000 -3.249 -8.920) 9.494 4.638 ( 0.000 10.167 3.042) 10.612 4.709 ( 0.000 6.764 -2.089) 7.079 4.891 ( 0.000 -13.810 9.120) 16.550 5.001 ( 0.000 -16.304 -1.453) 16.368 5.476 ( 0.000 2.419 21.697) 21.832 5.569 ( 0.000 -6.969 13.152) 14.885 5.784 ( 0.000 -1.601 -2.390) 2.877 5.811 ( 0.000 -4.165 -5.587) 6.969 6.057 ( 0.000 4.233 5.326) 6.803 6.162 ( 0.000 -5.398 8.508) 10.076 6.277 ( 0.000 12.270 -1.153) 12.324 6.404 ( 0.000 2.165 -6.034) 6.411 6.470 ( 0.000 3.988 -21.306) 21.676 6.494 ( 0.000 -5.093 -15.122) 15.957 6.582 ( 0.000 -18.126 -1.244) 18.168 6.621 ( 0.000 -14.623 -7.511) 16.439 6.818 ( 0.000 8.367 9.823) 12.904 7.021 ( 0.000 -12.990 12.473) 18.008 7.131 ( 0.000 8.960 -15.527) 17.927 7.359 ( 0.000 -15.275 -15.866) 22.024 7.701 ( 0.000 8.955 10.115) 13.509 7.784 ( 0.000 2.652 8.574) 8.975 7.866 ( 0.000 10.020 -0.976) 10.067 7.935 ( 0.000 4.556 -3.500) 5.745 8.267 ( 0.000 3.314 0.966) 3.452 8.320 ( 0.000 -5.822 9.622) 11.246 8.386 ( 0.000 5.358 -6.454) 8.388 8.558 ( 0.000 -9.034 -7.373) 11.661 8.969 ( 0.000 13.134 -2.237) 13.323 8.983 ( 0.000 1.795 -5.212) 5.512 9.064 ( 0.000 -2.028 3.367) 3.931 9.147 ( 0.000 -0.236 -4.415) 4.422 9.314 ( 0.000 5.571 4.971) 7.467 9.378 ( 0.000 -0.956 -1.091) 1.451 9.388 ( 0.000 -1.138 5.289) 5.410 9.460 ( 0.000 -7.356 -0.542) 7.376 9.659 ( 0.000 7.136 7.776) 10.554 9.733 ( 0.000 1.632 3.045) 3.455 9.756 ( 0.000 -2.984 7.511) 8.082 9.827 ( 0.000 -6.229 3.400) 7.096 10.052 ( 0.000 16.692 -0.179) 16.693 10.128 ( 0.000 7.379 1.125) 7.464 10.135 ( 0.000 11.447 -5.402) 12.658 10.206 ( 0.000 1.277 -2.316) 2.645 10.305 ( 0.000 -10.323 4.728) 11.354 10.326 ( 0.000 3.296 -6.716) 7.481 10.402 ( 0.000 -5.671 -11.441) 12.770 10.542 ( 0.000 -10.808 -16.936) 20.091 10.649 ( 0.000 -3.359 -0.155) 3.363 10.699 ( 0.000 -9.796 8.492) 12.965 10.739 ( 0.000 5.049 -7.761) 9.259 10.919 ( 0.000 -12.764 -11.147) 16.946 11.176 ( 0.000 6.001 0.991) 6.083 11.227 ( 0.000 3.527 -4.101) 5.409 11.259 ( 0.000 -2.761 2.536) 3.749 11.309 ( 0.000 -4.501 -2.694) 5.246 11.554 ( 0.000 5.571 3.068) 6.360 11.633 ( 0.000 -2.628 6.015) 6.564 11.634 ( 0.000 6.670 -4.485) 8.038 11.750 ( 0.000 -5.282 -4.888) 7.197 12.180 ( 0.000 6.381 4.951) 8.076 12.212 ( 0.000 3.486 3.924) 5.249 12.217 ( 0.000 5.311 14.258) 15.215 12.331 ( 0.000 -7.407 1.865) 7.638 12.417 ( 0.000 1.085 1.655) 1.979 12.476 ( 0.000 4.097 8.660) 9.580 12.510 ( 0.000 9.305 -4.088) 10.164 12.596 ( 0.000 -2.667 2.977) 3.997 12.721 ( 0.000 2.483 8.986) 9.323 12.748 ( 0.000 -1.054 9.027) 9.089 12.820 ( 0.000 -5.865 5.510) 8.047 12.825 ( 0.000 -7.213 -2.241) 7.554 13.052 ( 0.000 6.765 3.487) 7.611 13.130 ( 0.000 1.364 9.852) 9.946 13.138 ( 0.000 2.649 -2.975) 3.983 13.209 ( 0.000 -3.434 -4.687) 5.810 13.398 ( 0.000 9.358 0.604) 9.378 13.578 ( 0.000 -8.376 13.914) 16.241 13.631 ( 0.000 11.329 -5.122) 12.433 13.858 ( 0.000 -11.342 -2.459) 11.606 14.044 ( 0.000 1.458 -3.062) 3.391 14.076 ( 0.000 -2.221 -9.217) 9.480 14.153 ( 0.000 3.429 -14.050) 14.462 14.230 ( 0.000 -4.358 -18.516) 19.022 14.353 ( 0.000 3.610 8.115) 8.882 14.480 ( 0.000 -8.848 11.847) 14.786 14.654 ( 0.000 6.092 -13.705) 14.998 14.765 ( 0.000 -5.404 -13.114) 14.184 15.470 ( 0.000 8.123 14.386) 16.521 15.532 ( 0.000 6.413 7.839) 10.128 15.599 ( 0.000 5.415 0.340) 5.426 15.728 ( 0.000 -6.553 2.778) 7.118 15.745 ( 0.000 -6.030 1.638) 6.248 15.769 ( 0.000 -2.151 -4.272) 4.783 15.819 ( 0.000 3.567 -15.013) 15.431 15.939 ( 0.000 -8.275 -12.884) 15.313 16.335 ( 0.000 -3.941 11.153) 11.829 16.337 ( 0.000 -2.326 8.033) 8.363 16.520 ( 0.000 2.615 -9.807) 10.150 16.590 ( 0.000 -5.619 -13.356) 14.490 17.068 ( 0.000 8.404 9.770) 12.887 17.208 ( 0.000 -6.635 8.844) 11.056 17.261 ( 0.000 6.105 -9.245) 11.079 17.361 ( 0.000 -4.609 -6.180) 7.710 17.527 ( 0.000 7.906 10.503) 13.146 17.659 ( 0.000 -5.242 10.051) 11.335 17.702 ( 0.000 6.660 -7.090) 9.728 17.829 ( 0.000 -5.832 -6.935) 9.061 18.744 ( 0.000 2.631 7.714) 8.150 18.798 ( 0.000 -2.745 7.990) 8.448 18.863 ( 0.000 2.455 -2.315) 3.374 18.914 ( 0.000 -3.264 -1.631) 3.649 19.551 ( 0.000 1.938 1.376) 2.376 19.569 ( 0.000 0.144 1.282) 1.290 19.599 ( 0.000 0.124 -2.393) 2.396 19.618 ( 0.000 -1.942 -3.111) 3.667 20.658 ( 0.000 7.913 9.004) 11.988 20.800 ( 0.000 -6.852 13.029) 14.721 20.866 ( 0.000 12.435 -11.127) 16.686 21.069 ( 0.000 -8.957 -12.489) 15.369 25.004 ( 0.000 2.550 3.739) 4.526 25.053 ( 0.000 -2.598 4.101) 4.855 25.084 ( 0.000 2.894 -3.890) 4.848 25.141 ( 0.000 -3.037 -4.211) 5.191 26.507 ( 0.000 3.125 2.755) 4.166 26.543 ( 0.000 -0.646 3.378) 3.439 26.572 ( 0.000 3.857 -3.423) 5.157 26.622 ( 0.000 -1.423 -3.952) 4.200 27.024 ( 0.000 7.097 3.442) 7.887 27.090 ( 0.000 3.167 -3.147) 4.464 27.140 ( 0.000 -2.288 0.617) 2.370 27.158 ( 0.000 -6.067 -0.890) 6.132 27.455 ( 0.000 2.484 3.339) 4.161 27.491 ( 0.000 3.379 0.265) 3.389 27.533 ( 0.000 -5.803 4.732) 7.488 27.577 ( 0.000 -5.932 0.635) 5.966 28.551 ( 0.000 -0.200 3.363) 3.369 28.552 ( 0.000 -0.558 3.653) 3.696 28.593 ( 0.000 0.002 -0.357) 0.357 28.604 ( 0.000 -0.936 -1.423) 1.703 29.300 ( 0.000 5.029 7.487) 9.019 29.371 ( 0.000 -2.715 9.206) 9.598 29.498 ( 0.000 8.563 -9.964) 13.138 29.607 ( 0.000 -2.985 -12.475) 12.827 30.129 ( 0.000 -2.455 6.907) 7.331 30.131 ( 0.000 -2.386 3.780) 4.471 30.240 ( 0.000 -0.779 -5.609) 5.663 30.277 ( 0.000 -3.747 -7.029) 7.965 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 8.414 2.415 5.023) 10.093 1.292 ( 9.881 -0.802 3.084) 10.382 1.315 ( 9.657 -0.050 -2.517) 9.980 1.353 ( 11.355 -0.241 -2.176) 11.564 1.617 ( -1.297 5.588 7.365) 9.336 1.718 ( -0.618 2.774 -2.328) 3.674 1.801 ( 0.819 0.769 1.699) 2.037 1.832 ( 2.477 1.602 -1.029) 3.125 1.935 ( 2.225 -2.021 5.033) 5.862 1.948 ( 2.320 -2.151 3.739) 4.898 1.998 ( 1.443 4.025 -3.199) 5.340 2.086 ( -0.200 -3.374 -5.333) 6.314 2.251 ( -5.434 1.568 3.710) 6.765 2.308 ( -8.165 -0.495 -1.780) 8.371 2.446 ( -0.344 -0.018 4.315) 4.328 2.504 ( -0.724 -0.288 -1.007) 1.273 2.603 ( -2.616 0.332 2.348) 3.531 2.636 ( -3.603 0.625 -0.882) 3.762 2.666 ( -0.611 -1.867 1.440) 2.436 2.677 ( -2.000 -1.035 0.347) 2.278 2.815 ( 1.625 1.510 4.078) 4.642 2.871 ( 4.055 -1.880 4.730) 6.507 2.905 ( 3.454 3.624 -4.218) 6.546 2.980 ( 4.779 -3.113 -5.515) 7.934 3.478 ( 19.815 14.321 10.234) 26.504 3.716 ( 7.226 10.296 -11.158) 16.814 3.864 ( 22.838 -11.810 9.708) 27.483 4.076 ( 0.264 -1.078 -4.894) 5.018 4.240 ( 5.619 0.150 0.403) 5.636 4.315 ( 3.828 4.753 -5.543) 8.245 4.466 ( 9.004 7.573 9.412) 15.066 4.614 ( 6.501 7.461 -7.273) 12.281 4.686 ( 2.666 5.371 1.547) 6.193 4.753 ( 8.845 -1.246 -4.349) 9.935 4.901 ( 1.232 -14.185 5.262) 15.180 4.967 ( -2.615 -13.895 -0.812) 14.162 5.375 ( -1.627 -4.493 19.854) 20.421 5.643 ( -0.579 6.226 15.287) 16.516 5.764 ( 2.251 -6.270 -3.102) 7.348 5.929 ( 0.152 -1.445 4.562) 4.788 6.094 ( -1.834 0.507 -1.821) 2.633 6.143 ( -1.868 -0.237 0.710) 2.012 6.225 ( 1.972 -3.210 -7.081) 8.021 6.263 ( 4.139 -2.911 7.030) 8.661 6.420 ( -2.286 4.748 -32.168) 32.597 6.551 ( 1.282 -0.255 -17.501) 17.550 6.735 ( 2.235 -2.453 5.642) 6.546 6.829 ( 8.666 -2.565 -1.772) 9.210 6.906 ( 10.849 -1.854 10.034) 14.894 7.058 ( 8.586 -11.094 8.641) 16.477 7.180 ( 4.689 4.061 -13.213) 14.597 7.394 ( 4.657 -10.743 -18.054) 21.518 7.674 ( 1.429 6.261 4.928) 8.095 7.754 ( -3.447 10.646 -1.561) 11.299 7.947 ( 5.023 -0.602 12.588) 13.566 8.089 ( 13.104 3.582 6.494) 15.057 8.318 ( 5.015 4.534 -2.481) 7.202 8.369 ( 3.331 -3.338 10.270) 11.301 8.412 ( 2.297 3.777 -5.607) 7.140 8.594 ( 3.544 -8.848 -8.807) 12.977 8.901 ( -4.875 2.028 0.079) 5.281 8.935 ( -3.378 10.948 -2.626) 11.754 9.095 ( 0.737 -1.483 -2.363) 2.885 9.109 ( -3.078 -0.369 -2.247) 3.829 9.237 ( -5.427 6.453 6.260) 10.502 9.321 ( -4.476 0.750 0.869) 4.621 9.366 ( -3.132 -3.766 0.980) 4.995 9.403 ( -5.303 -5.779 -2.012) 8.097 9.597 ( -3.790 -0.384 7.568) 8.472 9.671 ( -2.015 3.012 2.509) 4.408 9.750 ( -7.724 4.495 2.126) 9.186 9.793 ( -4.848 1.396 -1.120) 5.168 9.920 ( -7.128 -2.465 3.816) 8.453 9.974 ( -9.944 -4.828 -2.547) 11.343 10.172 ( -5.613 -2.272 -2.035) 6.388 10.227 ( 3.872 3.203 -4.136) 6.508 10.347 ( 11.247 10.324 2.222) 15.427 10.415 ( 6.333 5.276 -6.267) 10.354 10.502 ( 7.108 -0.764 -1.188) 7.247 10.659 ( 4.876 -4.147 -6.750) 9.303 10.705 ( 1.612 -1.210 -1.682) 2.625 10.733 ( 4.500 -6.058 2.199) 7.861 10.775 ( 3.731 0.825 -5.407) 6.621 10.920 ( 0.302 -10.130 -9.994) 14.233 11.123 ( -7.753 1.429 1.141) 7.966 11.151 ( -5.796 2.525 -2.797) 6.914 11.210 ( -9.690 0.238 3.040) 10.158 11.258 ( -19.368 2.694 3.756) 19.912 11.317 ( -8.762 1.032 -6.819) 11.150 11.362 ( -19.089 0.912 -2.113) 19.227 11.440 ( -10.525 -4.028 -0.645) 11.288 11.490 ( -14.273 -6.425 -2.722) 15.887 11.908 ( 0.353 -0.102 2.807) 2.831 11.990 ( 4.936 -0.177 -4.706) 6.822 12.243 ( -9.829 4.824 9.767) 14.672 12.285 ( -9.699 0.590 8.451) 12.878 12.419 ( -7.418 2.663 -1.756) 8.075 12.445 ( -13.429 -1.078 1.027) 13.511 12.479 ( -3.097 7.501 16.073) 18.005 12.679 ( -3.162 7.285 3.150) 8.544 12.709 ( -1.553 -5.186 8.370) 9.968 12.835 ( 1.987 -3.860 3.164) 5.371 12.899 ( -4.456 -0.526 -0.257) 4.495 12.956 ( 4.316 0.569 -0.236) 4.360 13.131 ( 26.223 -2.095 7.095) 27.247 13.297 ( 15.968 7.901 0.358) 17.819 13.336 ( 17.464 2.941 6.652) 18.918 13.461 ( 8.476 -0.627 2.797) 8.947 13.518 ( 8.699 -3.224 0.783) 9.310 13.625 ( 10.476 0.633 13.152) 16.826 13.787 ( 12.505 5.390 -5.521) 14.693 13.933 ( 7.293 -7.890 -2.024) 10.933 13.979 ( -5.344 1.394 1.503) 5.723 14.052 ( 0.081 -1.994 -8.649) 8.876 14.165 ( -1.046 1.058 -16.683) 16.749 14.196 ( -0.091 0.304 -14.116) 14.119 14.355 ( 3.144 -6.110 -0.619) 6.899 14.539 ( -2.370 1.954 -12.204) 12.585 14.657 ( 11.160 -2.724 10.526) 15.580 14.923 ( 9.260 -1.001 -7.726) 12.101 15.365 ( -10.784 2.982 5.435) 12.439 15.406 ( -11.058 4.804 0.070) 12.057 15.526 ( 1.843 3.005 -2.855) 4.536 15.694 ( -2.302 3.027 -9.866) 10.574 15.769 ( 3.064 -2.655 9.225) 10.077 15.841 ( 7.968 -5.246 1.819) 9.711 15.967 ( 5.758 -4.113 1.701) 7.278 16.137 ( 8.865 -2.059 -11.109) 14.361 16.216 ( -0.472 -2.844 4.889) 5.676 16.411 ( -3.438 -0.810 -12.695) 13.177 16.502 ( 6.913 -2.364 8.901) 11.516 16.686 ( 4.415 -1.476 -8.862) 10.010 17.072 ( -0.160 6.238 9.906) 11.707 17.179 ( -1.967 -1.824 5.624) 6.231 17.259 ( -0.627 1.290 -5.510) 5.694 17.362 ( -0.208 -1.568 -7.887) 8.044 17.482 ( -2.957 4.165 8.615) 10.015 17.651 ( -3.944 4.378 -7.159) 9.272 17.670 ( -0.087 -2.976 8.305) 8.822 17.813 ( -1.559 -4.453 -5.372) 7.149 18.725 ( -1.485 1.561 7.424) 7.730 18.793 ( -0.771 -1.784 8.153) 8.382 18.837 ( -1.081 0.887 -1.409) 1.985 18.930 ( 0.307 -1.549 -3.458) 3.801 19.426 ( -6.817 3.359 -0.740) 7.635 19.435 ( -8.549 2.103 -0.747) 8.835 19.625 ( 0.269 -0.677 3.805) 3.874 19.699 ( 1.403 -3.137 -2.901) 4.497 20.568 ( -7.719 6.706 7.278) 12.550 20.704 ( -8.690 -1.873 7.982) 11.947 20.749 ( -9.970 7.076 -6.101) 13.663 20.943 ( -11.156 -7.908 -10.594) 17.298 25.009 ( 0.760 1.301 3.228) 3.562 25.072 ( 1.352 -0.968 3.173) 3.582 25.086 ( 0.352 1.174 -3.514) 3.722 25.149 ( 0.522 -1.830 -3.538) 4.017 26.495 ( -0.673 2.271 2.625) 3.535 26.541 ( -0.370 0.050 2.533) 2.560 26.556 ( -1.201 3.285 -3.087) 4.665 26.606 ( -1.429 -1.097 -3.403) 3.851 26.991 ( -2.721 5.955 2.762) 7.106 27.029 ( -3.885 2.277 -1.279) 4.682 27.163 ( -2.112 -6.541 3.453) 7.693 27.218 ( 4.337 -1.234 -1.940) 4.909 27.336 ( -6.165 -0.959 2.005) 6.553 27.368 ( -4.590 -0.030 -1.056) 4.710 27.591 ( 1.279 -1.414 6.421) 6.699 27.651 ( 2.958 -0.870 0.507) 3.125 28.570 ( 7.053 0.187 1.772) 7.275 28.609 ( 6.595 1.187 -1.641) 6.899 28.762 ( 12.684 -0.874 4.670) 13.544 28.836 ( 15.109 -1.958 -1.732) 15.333 29.289 ( -1.051 5.021 7.089) 8.751 29.361 ( -0.922 -2.505 8.671) 9.073 29.479 ( -1.756 7.731 -9.014) 12.005 29.590 ( -1.552 -3.568 -11.877) 12.498 30.006 ( -8.051 -0.028 3.272) 8.691 30.105 ( -8.229 -0.912 -2.302) 8.593 30.131 ( -4.817 -3.627 2.106) 6.387 30.242 ( -4.583 -3.476 -5.376) 7.873 ======================= Grid point 86 (35/36) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 9.338 2.722 5.529) 11.188 1.517 ( 10.314 -0.673 4.131) 11.131 1.538 ( 10.287 1.074 -4.425) 11.250 1.617 ( 7.735 0.392 0.791) 7.785 1.629 ( 6.356 -0.232 -0.704) 6.399 1.728 ( 1.744 0.277 -4.660) 4.984 1.806 ( -0.066 -0.317 3.755) 3.769 1.871 ( 0.800 1.556 -1.568) 2.350 1.982 ( 0.943 0.052 4.802) 4.894 2.004 ( 3.024 -1.568 1.265) 3.633 2.031 ( 1.580 0.461 -1.065) 1.961 2.075 ( -1.212 0.100 -3.410) 3.620 2.099 ( -8.454 -0.850 -0.923) 8.546 2.119 ( -7.980 1.773 -1.125) 8.252 2.350 ( -6.453 -1.450 3.648) 7.553 2.397 ( -7.495 -0.673 -1.089) 7.604 2.598 ( 1.152 2.314 2.906) 3.889 2.628 ( 1.135 1.485 0.362) 1.904 2.646 ( 0.625 -2.396 3.420) 4.222 2.698 ( 1.542 -2.815 -0.742) 3.294 2.847 ( 1.289 2.713 5.711) 6.453 2.923 ( 0.800 -3.054 6.135) 6.900 2.969 ( 2.682 3.605 -5.974) 7.475 3.055 ( 1.950 -3.086 -6.532) 7.483 3.770 ( 2.645 4.990 3.881) 6.852 3.842 ( 1.067 6.305 0.516) 6.416 3.897 ( -2.924 0.341 1.815) 3.458 4.003 ( -4.844 1.730 -4.933) 7.127 4.533 ( 12.228 0.371 6.514) 13.860 4.627 ( 3.835 10.120 1.976) 11.001 4.665 ( 15.731 0.435 -0.084) 15.738 4.742 ( 5.320 0.383 1.708) 5.600 4.880 ( 0.535 -11.285 6.314) 12.942 4.952 ( 15.657 -3.537 -6.882) 17.464 5.056 ( 21.424 -5.699 3.083) 22.382 5.219 ( 30.136 -1.126 -9.455) 31.605 5.445 ( 1.438 1.359 22.114) 22.202 5.525 ( 1.374 -5.714 20.716) 21.534 5.865 ( 8.517 0.072 -10.207) 13.294 5.911 ( 1.219 -5.334 -10.853) 12.154 6.083 ( 3.660 -2.523 0.944) 4.545 6.132 ( -4.224 1.610 2.291) 5.068 6.264 ( 0.799 2.179 -4.101) 4.712 6.371 ( 4.704 0.737 5.184) 7.039 6.450 ( 2.615 4.689 -21.089) 21.762 6.536 ( -0.997 -3.655 -11.945) 12.532 6.702 ( -2.181 1.262 -2.096) 3.278 6.835 ( -8.068 -2.189 -10.336) 13.294 7.138 ( 12.310 1.644 13.495) 18.340 7.327 ( 13.707 -0.664 0.972) 13.757 7.412 ( 14.546 -2.282 -5.068) 15.572 7.557 ( 9.651 -4.752 -15.888) 19.188 7.754 ( 5.320 5.605 1.865) 7.949 7.767 ( 4.844 5.162 0.007) 7.079 8.009 ( 3.134 -1.997 18.034) 18.413 8.334 ( -1.178 3.934 5.039) 6.500 8.386 ( -1.799 4.226 -3.738) 5.922 8.413 ( 2.471 8.455 -2.172) 9.072 8.458 ( 5.347 -4.331 11.769) 13.633 8.706 ( 5.738 -6.765 -7.707) 11.751 8.787 ( -6.486 1.015 0.559) 6.589 8.832 ( -5.744 7.367 -2.618) 9.701 9.037 ( -3.210 -4.641 1.795) 5.922 9.075 ( -2.345 -0.168 -0.487) 2.401 9.178 ( -5.106 3.118 -0.006) 5.982 9.188 ( -2.062 1.306 -1.073) 2.667 9.290 ( -3.790 -4.308 0.274) 5.745 9.310 ( -1.157 -1.817 0.369) 2.186 9.520 ( -8.866 8.132 1.826) 12.168 9.556 ( -8.172 0.350 -1.755) 8.366 9.582 ( -0.286 -0.335 7.466) 7.479 9.693 ( -7.480 -7.834 1.912) 10.999 9.720 ( -9.045 -8.424 -1.835) 12.496 9.837 ( 2.559 -1.978 -9.584) 10.115 10.140 ( -0.803 1.548 6.187) 6.428 10.324 ( 2.522 4.194 -6.910) 8.467 10.409 ( -5.633 1.297 1.634) 6.007 10.496 ( -3.727 1.227 -1.610) 4.241 10.526 ( -7.999 -0.165 -0.407) 8.011 10.609 ( -15.391 0.001 -5.842) 16.463 10.745 ( -2.313 3.296 1.842) 4.428 10.758 ( 4.360 2.430 3.870) 6.316 10.811 ( -8.103 1.958 -1.759) 8.520 10.846 ( -0.816 -0.903 1.657) 2.055 10.900 ( 1.499 1.443 -5.537) 5.915 10.954 ( -4.540 0.681 0.120) 4.593 11.025 ( -0.169 -5.635 -7.189) 9.136 11.049 ( -1.245 -1.245 -3.363) 3.796 11.091 ( 0.937 -4.405 2.275) 5.046 11.303 ( 0.755 0.346 -11.909) 11.938 11.400 ( -0.286 -3.453 0.705) 3.536 11.454 ( 2.491 -2.537 -3.468) 4.967 11.887 ( -4.257 2.473 4.907) 6.951 12.014 ( -4.615 2.503 -1.210) 5.387 12.073 ( -3.605 3.442 5.019) 7.074 12.098 ( -8.865 1.076 8.871) 12.587 12.172 ( -7.971 -4.058 7.457) 11.645 12.301 ( -3.837 0.959 -8.576) 9.444 12.386 ( -6.877 2.332 8.913) 11.497 12.599 ( -5.420 6.647 -2.886) 9.049 12.713 ( 1.987 -1.524 8.084) 8.463 12.725 ( -5.879 -5.966 -0.154) 8.377 12.844 ( -3.913 -1.718 3.633) 5.609 12.888 ( -4.931 -0.022 0.375) 4.946 13.349 ( 1.435 9.060 14.144) 16.858 13.483 ( 0.307 -3.333 11.003) 11.501 13.560 ( 3.407 1.888 -3.956) 5.552 13.706 ( 12.727 -1.734 7.474) 14.861 13.810 ( 3.995 -0.163 6.411) 7.555 13.878 ( 8.724 -2.754 0.586) 9.167 13.922 ( 3.169 -1.499 0.899) 3.619 13.973 ( 11.377 -0.717 -4.381) 12.213 14.072 ( -0.155 1.832 -9.252) 9.433 14.120 ( 3.922 -0.458 -15.490) 15.985 14.221 ( 13.102 0.030 1.374) 13.173 14.294 ( 7.973 -1.134 -4.064) 9.021 14.479 ( 8.737 -3.147 0.535) 9.302 14.609 ( 8.407 0.577 -11.060) 13.905 14.895 ( 10.306 -0.621 9.473) 14.012 15.101 ( -0.632 1.334 3.415) 3.721 15.169 ( -7.810 1.220 -8.264) 11.436 15.212 ( 5.272 1.418 -4.288) 6.942 15.635 ( 3.998 0.938 -4.481) 6.078 15.709 ( 4.583 3.468 -6.920) 8.996 15.752 ( -2.402 -1.417 10.310) 10.681 15.937 ( -5.586 -3.986 4.552) 8.235 15.984 ( 2.221 -0.928 -3.305) 4.089 16.115 ( -6.284 -1.506 -5.052) 8.203 16.366 ( 11.037 -2.401 0.949) 11.335 16.501 ( 6.981 0.612 -11.513) 13.478 16.601 ( 2.545 -2.173 6.991) 7.751 16.740 ( 0.506 -0.488 -5.846) 5.888 17.053 ( -0.780 1.014 10.504) 10.582 17.148 ( -1.234 0.806 2.666) 3.046 17.240 ( -0.790 -0.998 -5.059) 5.217 17.339 ( -2.129 0.433 -11.102) 11.313 17.444 ( -0.395 1.735 6.069) 6.325 17.577 ( -1.943 2.718 -6.865) 7.635 17.645 ( -2.420 -2.295 7.840) 8.520 17.766 ( -2.920 -2.309 -3.928) 5.412 18.698 ( -0.842 0.503 7.940) 8.000 18.764 ( -1.863 -0.774 8.031) 8.280 18.834 ( 0.430 0.222 -3.213) 3.249 18.912 ( -1.882 -1.192 -4.754) 5.251 19.281 ( -4.573 3.445 3.090) 6.506 19.336 ( -1.445 5.592 -2.228) 6.191 19.563 ( -6.079 -1.229 6.655) 9.097 19.673 ( -3.575 -2.333 -3.554) 5.555 20.398 ( -7.238 3.733 3.358) 8.810 20.483 ( -10.738 5.780 -2.967) 12.551 20.529 ( -10.118 -2.913 4.504) 11.452 20.670 ( -13.701 -5.000 -6.792) 16.089 25.039 ( 1.981 0.356 2.081) 2.895 25.093 ( 0.875 0.444 -1.654) 1.923 25.105 ( 0.997 -0.543 0.830) 1.406 25.155 ( -0.081 -0.706 -2.512) 2.611 26.491 ( 0.300 1.594 1.966) 2.549 26.530 ( -0.522 0.469 1.382) 1.550 26.536 ( -0.567 2.470 -2.103) 3.293 26.573 ( -1.488 -0.557 -2.490) 2.954 26.931 ( -2.619 4.517 2.488) 5.784 26.944 ( -3.952 1.909 0.513) 4.419 27.042 ( -7.005 -5.088 5.566) 10.292 27.139 ( -8.072 -1.561 -2.708) 8.656 27.362 ( 5.819 -0.500 1.764) 6.101 27.405 ( 4.950 -0.621 -2.131) 5.425 27.589 ( -1.039 -0.671 6.765) 6.877 27.670 ( -1.012 -0.305 -0.823) 1.340 28.773 ( 10.987 0.394 1.067) 11.046 28.812 ( 11.376 1.789 -2.518) 11.788 29.017 ( 9.940 -0.226 6.354) 11.800 29.131 ( 11.083 -0.824 -3.317) 11.598 29.264 ( -0.926 5.114 6.723) 8.497 29.342 ( -0.335 -2.439 7.683) 8.068 29.434 ( -2.173 5.562 -6.225) 8.626 29.551 ( -1.847 -4.511 -10.356) 11.446 29.849 ( -5.749 1.018 -1.124) 5.946 29.897 ( -9.379 0.602 -3.933) 10.188 30.017 ( -6.623 -4.671 4.270) 9.161 30.108 ( -7.636 -3.180 -4.058) 9.213 ======================= Grid point 87 (36/36) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 7.967 0.941 3.729) 8.846 1.651 ( 2.514 0.487 1.786) 3.122 1.661 ( 1.970 -0.542 2.258) 3.045 1.736 ( 6.932 0.272 -1.085) 7.022 1.764 ( -4.499 -0.084 -1.979) 4.916 1.775 ( 1.558 -0.674 1.344) 2.165 1.793 ( 2.728 -1.318 -5.109) 5.940 1.888 ( -0.344 -0.208 -3.902) 3.922 1.924 ( -2.678 0.583 1.225) 3.002 1.972 ( -0.687 1.337 -1.109) 1.867 1.994 ( -2.714 0.035 0.876) 2.852 2.005 ( -2.614 0.835 0.073) 2.745 2.109 ( 5.004 -0.935 1.126) 5.214 2.127 ( 4.307 0.962 -0.746) 4.475 2.229 ( -5.269 -0.817 1.060) 5.436 2.241 ( -7.148 -1.473 -0.178) 7.300 2.629 ( 1.609 1.128 5.047) 5.416 2.646 ( 0.225 -0.164 4.560) 4.569 2.677 ( 1.758 0.145 0.972) 2.014 2.707 ( -0.808 -0.766 -0.270) 1.146 2.876 ( 1.762 0.584 6.115) 6.391 2.913 ( -1.428 -2.356 6.280) 6.858 3.021 ( 2.309 1.304 -7.569) 8.020 3.060 ( -1.198 -1.632 -7.727) 7.988 3.735 ( -2.249 1.914 9.187) 9.650 3.750 ( -2.412 1.995 8.914) 9.448 3.931 ( -0.253 2.701 -9.374) 9.759 3.952 ( -0.651 2.178 -9.872) 10.131 4.636 ( 3.050 3.243 4.955) 6.661 4.702 ( 3.439 3.799 -0.456) 5.144 4.712 ( -3.666 -2.034 5.267) 6.732 4.767 ( -2.484 -2.325 0.001) 3.403 5.020 ( 8.431 -3.941 15.305) 17.912 5.171 ( -6.115 -4.194 22.506) 23.696 5.300 ( 13.802 -0.209 -10.507) 17.348 5.487 ( -0.506 -5.900 -7.065) 9.219 5.802 ( 13.191 -0.154 11.340) 17.396 5.851 ( 15.275 -3.306 1.494) 15.700 5.968 ( 9.812 3.616 -5.040) 11.608 6.057 ( -0.299 -1.269 -2.736) 3.031 6.086 ( 7.927 -2.096 3.027) 8.741 6.234 ( 9.484 -0.828 -10.684) 14.310 6.261 ( -2.707 5.009 2.505) 6.220 6.418 ( 6.523 -4.236 1.478) 7.916 6.518 ( 0.525 -1.935 4.575) 4.996 6.552 ( -9.164 -3.196 -23.725) 25.633 6.630 ( 3.467 -0.189 -21.160) 21.443 6.662 ( -4.994 -0.418 -7.378) 8.919 7.377 ( 10.120 7.182 13.324) 18.208 7.521 ( 1.290 2.988 6.243) 7.041 7.648 ( 7.268 3.269 -6.338) 10.182 7.710 ( 2.029 2.750 -11.436) 11.936 7.884 ( 8.029 2.002 2.742) 8.717 7.907 ( 9.139 2.237 1.296) 9.498 8.069 ( -2.970 -3.296 10.864) 11.735 8.105 ( -8.301 3.762 13.006) 15.881 8.218 ( -9.376 4.286 -2.469) 10.600 8.343 ( -12.830 -0.291 9.660) 16.063 8.534 ( 2.833 7.335 -17.334) 19.034 8.623 ( -7.482 5.252 -11.005) 14.306 8.767 ( 7.207 -3.469 4.585) 9.219 8.896 ( 5.059 -1.144 -2.330) 5.686 8.961 ( -6.708 -3.379 2.017) 7.777 9.001 ( -4.204 -1.399 -0.099) 4.432 9.113 ( 2.877 2.934 6.328) 7.545 9.211 ( -4.538 -0.422 6.126) 7.635 9.228 ( 3.878 1.473 -2.775) 4.991 9.314 ( -1.236 -2.281 -2.695) 3.740 9.403 ( -0.960 -0.835 3.117) 3.367 9.451 ( -1.899 -7.881 0.820) 8.148 9.504 ( -4.524 -4.043 -0.229) 6.071 9.547 ( -5.626 -6.821 -0.878) 8.886 9.750 ( 11.457 -2.111 8.841) 14.625 10.005 ( 4.445 1.677 -9.565) 10.680 10.041 ( -7.261 -2.184 0.504) 7.599 10.156 ( -9.291 -0.057 -4.638) 10.385 10.311 ( -3.092 3.162 3.027) 5.359 10.368 ( -3.765 1.655 -0.599) 4.157 10.376 ( -2.482 0.702 -1.756) 3.120 10.412 ( -4.155 -0.497 -2.570) 4.911 10.700 ( -0.673 -0.179 -0.190) 0.722 10.734 ( -4.282 -0.731 0.869) 4.430 10.765 ( 0.521 0.257 -5.665) 5.695 10.834 ( -5.168 1.018 -8.489) 9.990 10.905 ( 4.659 0.490 6.751) 8.218 10.953 ( 0.158 -0.678 6.875) 6.910 11.087 ( 3.097 0.568 -8.621) 9.178 11.093 ( 2.197 -0.360 -7.599) 7.919 11.235 ( 8.487 -0.550 1.905) 8.716 11.354 ( 1.095 1.137 -3.889) 4.198 11.375 ( -0.097 -0.888 -4.459) 4.548 11.456 ( -2.885 -0.515 -7.056) 7.640 11.806 ( -0.447 2.954 12.010) 12.376 11.895 ( -8.069 1.577 13.016) 15.396 11.951 ( -1.040 2.085 5.438) 5.916 11.986 ( -3.947 1.921 6.244) 7.632 12.150 ( 2.140 -1.490 -1.127) 2.841 12.223 ( -5.177 0.238 3.350) 6.170 12.297 ( 1.944 -1.395 -10.960) 11.218 12.426 ( -9.265 0.456 -12.961) 15.939 12.681 ( 0.961 -2.393 8.945) 9.309 12.733 ( -2.715 -0.136 6.043) 6.626 12.786 ( 0.630 -2.558 1.989) 3.300 12.814 ( -1.837 -0.448 0.083) 1.893 13.380 ( 1.929 3.567 15.335) 15.862 13.436 ( -3.280 -2.194 15.847) 16.331 13.676 ( 7.255 1.015 -11.179) 13.366 13.791 ( -0.357 -1.450 -12.702) 12.790 13.835 ( 1.570 0.638 5.519) 5.774 13.888 ( -2.050 -0.871 3.178) 3.880 13.918 ( -2.072 -1.554 -0.193) 2.597 13.996 ( -6.056 -0.914 -7.814) 9.928 14.248 ( 11.751 -0.794 3.147) 12.191 14.323 ( 7.526 -0.651 -2.669) 8.012 14.380 ( 1.651 -2.336 2.910) 4.081 14.421 ( 1.667 -0.825 0.930) 2.079 14.690 ( 10.515 1.162 2.247) 10.815 14.809 ( 8.223 1.313 -7.661) 11.315 14.892 ( -6.718 1.699 1.078) 7.013 14.976 ( -6.764 0.005 -4.985) 8.403 15.268 ( 14.542 -0.386 10.465) 17.920 15.509 ( 15.468 1.709 -10.244) 18.631 15.565 ( -11.840 0.365 13.655) 18.077 15.711 ( 2.565 2.258 3.077) 4.599 15.801 ( -6.693 -2.589 -1.883) 7.419 15.865 ( -6.760 0.201 0.034) 6.763 15.907 ( 6.324 0.446 -12.930) 14.401 16.034 ( -3.867 0.296 -10.742) 11.420 16.566 ( 7.135 -0.707 0.006) 7.170 16.585 ( 1.894 0.335 -2.647) 3.272 16.618 ( -0.053 -2.022 2.804) 3.457 16.700 ( -4.212 -0.482 -3.882) 5.748 17.070 ( 2.060 -1.774 7.365) 7.851 17.115 ( -2.004 -1.203 3.637) 4.324 17.242 ( 1.218 -1.850 -8.088) 8.386 17.285 ( -2.622 -1.066 -11.260) 11.611 17.475 ( 3.356 1.320 6.337) 7.291 17.560 ( -3.517 0.779 6.567) 7.490 17.605 ( 2.293 0.657 -4.471) 5.068 17.689 ( -4.447 0.068 -4.304) 6.189 18.695 ( 0.607 -0.079 8.127) 8.150 18.723 ( -1.898 -0.567 8.028) 8.268 18.840 ( 0.358 0.283 -4.950) 4.971 18.865 ( -2.115 -0.601 -5.017) 5.478 19.272 ( 3.506 2.489 7.287) 8.461 19.377 ( 0.667 4.696 2.679) 5.447 19.420 ( -2.248 0.519 1.409) 2.704 19.556 ( -7.521 1.428 -5.789) 9.598 20.310 ( -0.798 0.529 0.885) 1.304 20.339 ( -1.978 1.280 -1.346) 2.714 20.360 ( -5.391 -1.688 2.177) 6.054 20.425 ( -8.951 -2.124 -3.239) 9.753 25.082 ( 1.905 0.169 1.222) 2.270 25.107 ( -0.218 0.333 1.156) 1.223 25.120 ( 0.999 -0.512 -2.039) 2.327 25.143 ( -0.956 -0.421 -1.954) 2.216 26.503 ( 0.753 1.083 1.445) 1.957 26.518 ( -0.652 0.667 1.138) 1.471 26.536 ( 0.439 1.666 -1.635) 2.375 26.549 ( -0.807 0.467 -1.813) 2.039 26.882 ( -1.399 0.141 3.324) 3.609 26.891 ( -1.694 0.746 5.305) 5.619 26.944 ( -1.078 -0.883 -0.168) 1.404 26.995 ( -5.212 -0.013 -2.269) 5.684 27.476 ( 4.688 -0.540 2.318) 5.257 27.516 ( 5.402 -0.933 -1.319) 5.639 27.551 ( -2.622 -0.685 4.574) 5.316 27.617 ( -3.951 -0.653 -1.297) 4.210 28.983 ( 8.584 0.715 1.981) 8.838 29.031 ( 9.194 1.780 -2.542) 9.704 29.102 ( -1.944 0.963 4.487) 4.984 29.176 ( -4.283 1.934 -1.820) 5.039 29.297 ( 2.302 1.868 6.879) 7.490 29.344 ( -1.731 -1.395 7.384) 7.711 29.441 ( 3.982 4.576 -6.490) 8.883 29.516 ( -2.350 -1.708 -9.105) 9.557 29.775 ( 0.260 -1.449 0.179) 1.483 29.830 ( 3.117 -0.887 -4.925) 5.895 29.871 ( -7.008 -4.426 2.981) 8.809 29.949 ( -7.272 -2.287 -4.204) 8.705 =================== 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 3/31500 10.0 551.402 474.363 483.931 0.000 0.000 0.000 3/31500 20.0 108.673 102.355 85.111 0.000 0.000 0.000 3/31500 30.0 52.308 44.950 39.981 0.000 0.000 0.000 3/31500 40.0 32.627 26.743 24.865 0.000 0.000 0.000 3/31500 50.0 23.166 18.303 17.574 0.000 0.000 0.000 3/31500 60.0 17.705 13.527 13.379 0.000 0.000 0.000 3/31500 70.0 14.170 10.492 10.687 0.000 0.000 0.000 3/31500 80.0 11.717 8.428 8.833 0.000 0.000 0.000 3/31500 90.0 9.939 6.961 7.495 0.000 0.000 0.000 3/31500 100.0 8.605 5.885 6.494 0.000 0.000 0.000 3/31500 110.0 7.577 5.073 5.723 0.000 0.000 0.000 3/31500 120.0 6.766 4.446 5.117 0.000 0.000 0.000 3/31500 130.0 6.114 3.951 4.628 0.000 0.000 0.000 3/31500 140.0 5.579 3.553 4.228 0.000 0.000 0.000 3/31500 150.0 5.133 3.226 3.895 0.000 0.000 0.000 3/31500 160.0 4.756 2.955 3.613 0.000 0.000 0.000 3/31500 170.0 4.433 2.726 3.372 0.000 0.000 0.000 3/31500 180.0 4.154 2.530 3.163 0.000 0.000 0.000 3/31500 190.0 3.910 2.362 2.980 0.000 0.000 0.000 3/31500 200.0 3.694 2.215 2.819 0.000 0.000 0.000 3/31500 210.0 3.503 2.086 2.676 0.000 0.000 0.000 3/31500 220.0 3.332 1.971 2.547 0.000 0.000 0.000 3/31500 230.0 3.177 1.869 2.431 0.000 0.000 0.000 3/31500 240.0 3.038 1.778 2.325 0.000 0.000 0.000 3/31500 250.0 2.910 1.695 2.229 0.000 0.000 0.000 3/31500 260.0 2.794 1.620 2.141 0.000 0.000 0.000 3/31500 270.0 2.687 1.552 2.060 0.000 0.000 0.000 3/31500 280.0 2.588 1.489 1.985 0.000 0.000 0.000 3/31500 290.0 2.497 1.432 1.916 0.000 0.000 0.000 3/31500 300.0 2.413 1.379 1.852 0.000 0.000 0.000 3/31500 310.0 2.334 1.330 1.791 0.000 0.000 0.000 3/31500 320.0 2.260 1.284 1.735 0.000 0.000 0.000 3/31500 330.0 2.191 1.242 1.683 0.000 0.000 0.000 3/31500 340.0 2.127 1.202 1.633 0.000 0.000 0.000 3/31500 350.0 2.066 1.165 1.587 0.000 0.000 0.000 3/31500 360.0 2.009 1.130 1.543 0.000 0.000 0.000 3/31500 370.0 1.955 1.097 1.501 0.000 0.000 0.000 3/31500 380.0 1.903 1.067 1.462 0.000 0.000 0.000 3/31500 390.0 1.855 1.038 1.425 0.000 0.000 0.000 3/31500 400.0 1.809 1.010 1.390 0.000 0.000 0.000 3/31500 410.0 1.765 0.984 1.356 0.000 0.000 0.000 3/31500 420.0 1.724 0.960 1.324 0.000 0.000 0.000 3/31500 430.0 1.684 0.936 1.294 0.000 0.000 0.000 3/31500 440.0 1.647 0.914 1.265 0.000 0.000 0.000 3/31500 450.0 1.611 0.893 1.237 0.000 0.000 0.000 3/31500 460.0 1.576 0.873 1.210 0.000 0.000 0.000 3/31500 470.0 1.543 0.853 1.185 0.000 0.000 0.000 3/31500 480.0 1.511 0.835 1.160 0.000 0.000 0.000 3/31500 490.0 1.481 0.817 1.137 0.000 0.000 0.000 3/31500 500.0 1.452 0.800 1.115 0.000 0.000 0.000 3/31500 510.0 1.424 0.784 1.093 0.000 0.000 0.000 3/31500 520.0 1.397 0.769 1.072 0.000 0.000 0.000 3/31500 530.0 1.371 0.754 1.052 0.000 0.000 0.000 3/31500 540.0 1.346 0.739 1.033 0.000 0.000 0.000 3/31500 550.0 1.322 0.726 1.015 0.000 0.000 0.000 3/31500 560.0 1.299 0.712 0.997 0.000 0.000 0.000 3/31500 570.0 1.277 0.699 0.979 0.000 0.000 0.000 3/31500 580.0 1.255 0.687 0.963 0.000 0.000 0.000 3/31500 590.0 1.234 0.675 0.947 0.000 0.000 0.000 3/31500 600.0 1.214 0.664 0.931 0.000 0.000 0.000 3/31500 610.0 1.194 0.653 0.916 0.000 0.000 0.000 3/31500 620.0 1.175 0.642 0.901 0.000 0.000 0.000 3/31500 630.0 1.157 0.632 0.887 0.000 0.000 0.000 3/31500 640.0 1.139 0.622 0.874 0.000 0.000 0.000 3/31500 650.0 1.122 0.612 0.860 0.000 0.000 0.000 3/31500 660.0 1.105 0.602 0.847 0.000 0.000 0.000 3/31500 670.0 1.089 0.593 0.835 0.000 0.000 0.000 3/31500 680.0 1.073 0.584 0.823 0.000 0.000 0.000 3/31500 690.0 1.058 0.576 0.811 0.000 0.000 0.000 3/31500 700.0 1.043 0.567 0.800 0.000 0.000 0.000 3/31500 710.0 1.029 0.559 0.788 0.000 0.000 0.000 3/31500 720.0 1.015 0.552 0.778 0.000 0.000 0.000 3/31500 730.0 1.001 0.544 0.767 0.000 0.000 0.000 3/31500 740.0 0.988 0.536 0.757 0.000 0.000 0.000 3/31500 750.0 0.975 0.529 0.747 0.000 0.000 0.000 3/31500 760.0 0.962 0.522 0.737 0.000 0.000 0.000 3/31500 770.0 0.950 0.515 0.728 0.000 0.000 0.000 3/31500 780.0 0.938 0.509 0.718 0.000 0.000 0.000 3/31500 790.0 0.926 0.502 0.709 0.000 0.000 0.000 3/31500 800.0 0.915 0.496 0.701 0.000 0.000 0.000 3/31500 810.0 0.904 0.490 0.692 0.000 0.000 0.000 3/31500 820.0 0.893 0.484 0.684 0.000 0.000 0.000 3/31500 830.0 0.882 0.478 0.675 0.000 0.000 0.000 3/31500 840.0 0.872 0.472 0.668 0.000 0.000 0.000 3/31500 850.0 0.862 0.466 0.660 0.000 0.000 0.000 3/31500 860.0 0.852 0.461 0.652 0.000 0.000 0.000 3/31500 870.0 0.842 0.456 0.645 0.000 0.000 0.000 3/31500 880.0 0.833 0.450 0.637 0.000 0.000 0.000 3/31500 890.0 0.824 0.445 0.630 0.000 0.000 0.000 3/31500 900.0 0.814 0.440 0.623 0.000 0.000 0.000 3/31500 910.0 0.806 0.435 0.617 0.000 0.000 0.000 3/31500 920.0 0.797 0.431 0.610 0.000 0.000 0.000 3/31500 930.0 0.789 0.426 0.603 0.000 0.000 0.000 3/31500 940.0 0.780 0.421 0.597 0.000 0.000 0.000 3/31500 950.0 0.772 0.417 0.591 0.000 0.000 0.000 3/31500 960.0 0.764 0.413 0.585 0.000 0.000 0.000 3/31500 970.0 0.756 0.408 0.579 0.000 0.000 0.000 3/31500 980.0 0.749 0.404 0.573 0.000 0.000 0.000 3/31500 990.0 0.741 0.400 0.567 0.000 0.000 0.000 3/31500 1000.0 0.734 0.396 0.562 0.000 0.000 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:31:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|