----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:18:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.389996861265109 0.000000000000000 0.000000000000000 b -2.694998430632555 4.667874208173973 0.000000000000000 c 0.000000000000000 0.000000000000000 10.599866980000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.69293462611615 0.72980456541835 6.941 2 Li 0.69293462611615 0.69293462611615 0.22980456541835 6.941 *3 Li 0.33333333333333 0.66666666666667 0.58848417724346 6.941 4 Li 0.66666666666667 0.33333333333333 0.08848417724346 6.941 5 Li 0.33333333333333 0.66666666666667 0.08848417724346 6.941 6 Li 0.66666666666667 0.33333333333333 0.58848417724346 6.941 *7 Li 0.39517311913312 0.39517311913312 0.37110609312403 6.941 8 Li 0.39517311913312 0.00000000000000 0.87110609312403 6.941 9 Li 0.00000000000000 0.39517311913312 0.87110609312403 6.941 10 Li 0.00000000000000 0.60482688086688 0.37110609312403 6.941 11 Li 0.60482688086688 0.00000000000000 0.37110609312403 6.941 12 Li 0.60482688086688 0.60482688086688 0.87110609312403 6.941 13 Li 0.30706537388385 0.30706537388385 0.72980456541835 6.941 14 Li 0.69293462611615 0.00000000000000 0.72980456541835 6.941 15 Li 0.00000000000000 0.30706537388385 0.22980456541835 6.941 16 Li 0.30706537388385 0.00000000000000 0.22980456541835 6.941 *17 O 0.00000000000000 0.70967520812373 0.54706083401393 15.999 18 O 0.70967520812373 0.00000000000000 0.54706083401393 15.999 *19 O 0.00000000000000 0.00000000000000 0.84227575952951 15.999 20 O 0.00000000000000 0.00000000000000 0.34227575952951 15.999 *21 O 0.33333333333333 0.66666666666667 0.78009618721183 15.999 22 O 0.66666666666667 0.33333333333333 0.28009618721183 15.999 23 O 0.33333333333333 0.66666666666667 0.28009618721183 15.999 24 O 0.70967520812373 0.70967520812373 0.04706083401393 15.999 25 O 0.29032479187627 0.29032479187627 0.54706083401393 15.999 26 O 0.29032479187627 0.00000000000000 0.04706083401393 15.999 27 O 0.00000000000000 0.29032479187627 0.04706083401393 15.999 28 O 0.66666666666667 0.33333333333333 0.78009618721183 15.999 *29 Si 0.00000000000000 0.00000000000000 0.50034907389100 28.085 30 Si 0.00000000000000 0.00000000000000 0.00034907389100 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.389996861265109 0.000000000000000 0.000000000000000 b -2.694998430632555 4.667874208173973 0.000000000000000 c 0.000000000000000 0.000000000000000 10.599866980000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.69293462611615 0.72980456541835 6.941 > 1 2 Li 0.69293462611615 0.69293462611615 0.22980456541835 6.941 > 2 *3 Li 0.33333333333333 0.66666666666667 0.58848417724346 6.941 > 3 4 Li 0.66666666666667 0.33333333333333 0.08848417724346 6.941 > 4 5 Li 0.33333333333333 0.66666666666667 0.08848417724346 6.941 > 5 6 Li 0.66666666666667 0.33333333333333 0.58848417724346 6.941 > 6 *7 Li 0.39517311913312 0.39517311913312 0.37110609312403 6.941 > 7 8 Li 0.39517311913312 0.00000000000000 0.87110609312403 6.941 > 8 9 Li 0.00000000000000 0.39517311913312 0.87110609312403 6.941 > 9 10 Li 0.00000000000000 0.60482688086688 0.37110609312403 6.941 > 10 11 Li 0.60482688086688 0.00000000000000 0.37110609312403 6.941 > 11 12 Li 0.60482688086688 0.60482688086688 0.87110609312403 6.941 > 12 13 Li 0.30706537388385 0.30706537388385 0.72980456541835 6.941 > 13 14 Li 0.69293462611615 0.00000000000000 0.72980456541835 6.941 > 14 15 Li 0.00000000000000 0.30706537388385 0.22980456541835 6.941 > 15 16 Li 0.30706537388385 0.00000000000000 0.22980456541835 6.941 > 16 *17 O 0.00000000000000 0.70967520812373 0.54706083401393 15.999 > 17 18 O 0.70967520812373 0.00000000000000 0.54706083401393 15.999 > 18 *19 O 0.00000000000000 0.00000000000000 0.84227575952951 15.999 > 19 20 O 0.00000000000000 0.00000000000000 0.34227575952951 15.999 > 20 *21 O 0.33333333333333 0.66666666666667 0.78009618721183 15.999 > 21 22 O 0.66666666666667 0.33333333333333 0.28009618721183 15.999 > 22 23 O 0.33333333333333 0.66666666666667 0.28009618721183 15.999 > 23 24 O 0.70967520812373 0.70967520812373 0.04706083401393 15.999 > 24 25 O 0.29032479187627 0.29032479187627 0.54706083401393 15.999 > 25 26 O 0.29032479187627 0.00000000000000 0.04706083401393 15.999 > 26 27 O 0.00000000000000 0.29032479187627 0.04706083401393 15.999 > 27 28 O 0.66666666666667 0.33333333333333 0.78009618721183 15.999 > 28 *29 Si 0.00000000000000 0.00000000000000 0.50034907389100 28.085 > 29 30 Si 0.00000000000000 0.00000000000000 0.00034907389100 28.085 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.779993722530218 0.000000000000000 0.000000000000000 b -5.389996861265110 9.335748416347945 0.000000000000000 c 0.000000000000000 0.000000000000000 10.599866980000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.34646731305808 0.72980456541835 6.941 > 1 2 Li 0.50000000000000 0.34646731305808 0.72980456541835 6.941 > 1 3 Li 0.00000000000000 0.84646731305808 0.72980456541835 6.941 > 1 4 Li 0.50000000000000 0.84646731305808 0.72980456541835 6.941 > 1 5 Li 0.34646731305808 0.34646731305808 0.22980456541835 6.941 > 2 6 Li 0.84646731305808 0.34646731305808 0.22980456541835 6.941 > 2 7 Li 0.34646731305808 0.84646731305808 0.22980456541835 6.941 > 2 8 Li 0.84646731305808 0.84646731305808 0.22980456541835 6.941 > 2 *9 Li 0.16666666666667 0.33333333333333 0.58848417724346 6.941 > 3 10 Li 0.66666666666667 0.33333333333333 0.58848417724346 6.941 > 3 11 Li 0.16666666666667 0.83333333333333 0.58848417724346 6.941 > 3 12 Li 0.66666666666667 0.83333333333333 0.58848417724346 6.941 > 3 13 Li 0.33333333333333 0.16666666666667 0.08848417724346 6.941 > 4 14 Li 0.83333333333333 0.16666666666667 0.08848417724346 6.941 > 4 15 Li 0.33333333333333 0.66666666666667 0.08848417724346 6.941 > 4 16 Li 0.83333333333333 0.66666666666667 0.08848417724346 6.941 > 4 17 Li 0.16666666666667 0.33333333333333 0.08848417724346 6.941 > 5 18 Li 0.66666666666667 0.33333333333333 0.08848417724346 6.941 > 5 19 Li 0.16666666666667 0.83333333333333 0.08848417724346 6.941 > 5 20 Li 0.66666666666667 0.83333333333333 0.08848417724346 6.941 > 5 21 Li 0.33333333333333 0.16666666666667 0.58848417724346 6.941 > 6 22 Li 0.83333333333333 0.16666666666667 0.58848417724346 6.941 > 6 23 Li 0.33333333333333 0.66666666666667 0.58848417724346 6.941 > 6 24 Li 0.83333333333333 0.66666666666667 0.58848417724346 6.941 > 6 *25 Li 0.19758655956656 0.19758655956656 0.37110609312403 6.941 > 7 26 Li 0.69758655956656 0.19758655956656 0.37110609312403 6.941 > 7 27 Li 0.19758655956656 0.69758655956656 0.37110609312403 6.941 > 7 28 Li 0.69758655956656 0.69758655956656 0.37110609312403 6.941 > 7 29 Li 0.19758655956656 0.00000000000000 0.87110609312403 6.941 > 8 30 Li 0.69758655956656 0.00000000000000 0.87110609312403 6.941 > 8 31 Li 0.19758655956656 0.50000000000000 0.87110609312403 6.941 > 8 32 Li 0.69758655956656 0.50000000000000 0.87110609312403 6.941 > 8 33 Li 0.00000000000000 0.19758655956656 0.87110609312403 6.941 > 9 34 Li 0.50000000000000 0.19758655956656 0.87110609312403 6.941 > 9 35 Li 0.00000000000000 0.69758655956656 0.87110609312403 6.941 > 9 36 Li 0.50000000000000 0.69758655956656 0.87110609312403 6.941 > 9 37 Li 0.00000000000000 0.30241344043344 0.37110609312403 6.941 > 10 38 Li 0.50000000000000 0.30241344043344 0.37110609312403 6.941 > 10 39 Li 0.00000000000000 0.80241344043344 0.37110609312403 6.941 > 10 40 Li 0.50000000000000 0.80241344043344 0.37110609312403 6.941 > 10 41 Li 0.30241344043344 0.00000000000000 0.37110609312403 6.941 > 11 42 Li 0.80241344043344 0.00000000000000 0.37110609312403 6.941 > 11 43 Li 0.30241344043344 0.50000000000000 0.37110609312403 6.941 > 11 44 Li 0.80241344043344 0.50000000000000 0.37110609312403 6.941 > 11 45 Li 0.30241344043344 0.30241344043344 0.87110609312403 6.941 > 12 46 Li 0.80241344043344 0.30241344043344 0.87110609312403 6.941 > 12 47 Li 0.30241344043344 0.80241344043344 0.87110609312403 6.941 > 12 48 Li 0.80241344043344 0.80241344043344 0.87110609312403 6.941 > 12 49 Li 0.15353268694192 0.15353268694192 0.72980456541835 6.941 > 13 50 Li 0.65353268694192 0.15353268694192 0.72980456541835 6.941 > 13 51 Li 0.15353268694192 0.65353268694192 0.72980456541835 6.941 > 13 52 Li 0.65353268694192 0.65353268694192 0.72980456541835 6.941 > 13 53 Li 0.34646731305808 0.00000000000000 0.72980456541835 6.941 > 14 54 Li 0.84646731305808 0.00000000000000 0.72980456541835 6.941 > 14 55 Li 0.34646731305808 0.50000000000000 0.72980456541835 6.941 > 14 56 Li 0.84646731305808 0.50000000000000 0.72980456541835 6.941 > 14 57 Li 0.00000000000000 0.15353268694192 0.22980456541835 6.941 > 15 58 Li 0.50000000000000 0.15353268694192 0.22980456541835 6.941 > 15 59 Li 0.00000000000000 0.65353268694192 0.22980456541835 6.941 > 15 60 Li 0.50000000000000 0.65353268694192 0.22980456541835 6.941 > 15 61 Li 0.15353268694192 0.00000000000000 0.22980456541835 6.941 > 16 62 Li 0.65353268694192 0.00000000000000 0.22980456541835 6.941 > 16 63 Li 0.15353268694192 0.50000000000000 0.22980456541835 6.941 > 16 64 Li 0.65353268694192 0.50000000000000 0.22980456541835 6.941 > 16 *65 O 0.00000000000000 0.35483760406186 0.54706083401393 15.999 > 17 66 O 0.50000000000000 0.35483760406186 0.54706083401393 15.999 > 17 67 O 0.00000000000000 0.85483760406186 0.54706083401393 15.999 > 17 68 O 0.50000000000000 0.85483760406186 0.54706083401393 15.999 > 17 69 O 0.35483760406186 0.00000000000000 0.54706083401393 15.999 > 18 70 O 0.85483760406186 0.00000000000000 0.54706083401393 15.999 > 18 71 O 0.35483760406186 0.50000000000000 0.54706083401393 15.999 > 18 72 O 0.85483760406186 0.50000000000000 0.54706083401393 15.999 > 18 *73 O 0.00000000000000 0.00000000000000 0.84227575952951 15.999 > 19 74 O 0.50000000000000 0.00000000000000 0.84227575952951 15.999 > 19 75 O 0.00000000000000 0.50000000000000 0.84227575952951 15.999 > 19 76 O 0.50000000000000 0.50000000000000 0.84227575952951 15.999 > 19 77 O 0.00000000000000 0.00000000000000 0.34227575952951 15.999 > 20 78 O 0.50000000000000 0.00000000000000 0.34227575952951 15.999 > 20 79 O 0.00000000000000 0.50000000000000 0.34227575952951 15.999 > 20 80 O 0.50000000000000 0.50000000000000 0.34227575952951 15.999 > 20 *81 O 0.16666666666667 0.33333333333333 0.78009618721183 15.999 > 21 82 O 0.66666666666667 0.33333333333333 0.78009618721183 15.999 > 21 83 O 0.16666666666667 0.83333333333333 0.78009618721183 15.999 > 21 84 O 0.66666666666667 0.83333333333333 0.78009618721183 15.999 > 21 85 O 0.33333333333333 0.16666666666667 0.28009618721183 15.999 > 22 86 O 0.83333333333333 0.16666666666667 0.28009618721183 15.999 > 22 87 O 0.33333333333333 0.66666666666667 0.28009618721183 15.999 > 22 88 O 0.83333333333333 0.66666666666667 0.28009618721183 15.999 > 22 89 O 0.16666666666667 0.33333333333333 0.28009618721183 15.999 > 23 90 O 0.66666666666667 0.33333333333333 0.28009618721183 15.999 > 23 91 O 0.16666666666667 0.83333333333333 0.28009618721183 15.999 > 23 92 O 0.66666666666667 0.83333333333333 0.28009618721183 15.999 > 23 93 O 0.35483760406186 0.35483760406186 0.04706083401393 15.999 > 24 94 O 0.85483760406186 0.35483760406186 0.04706083401393 15.999 > 24 95 O 0.35483760406186 0.85483760406186 0.04706083401393 15.999 > 24 96 O 0.85483760406186 0.85483760406186 0.04706083401393 15.999 > 24 97 O 0.14516239593814 0.14516239593814 0.54706083401393 15.999 > 25 98 O 0.64516239593814 0.14516239593814 0.54706083401393 15.999 > 25 99 O 0.14516239593814 0.64516239593814 0.54706083401393 15.999 > 25 100 O 0.64516239593814 0.64516239593814 0.54706083401393 15.999 > 25 101 O 0.14516239593814 0.00000000000000 0.04706083401393 15.999 > 26 102 O 0.64516239593814 0.00000000000000 0.04706083401393 15.999 > 26 103 O 0.14516239593814 0.50000000000000 0.04706083401393 15.999 > 26 104 O 0.64516239593814 0.50000000000000 0.04706083401393 15.999 > 26 105 O 0.00000000000000 0.14516239593814 0.04706083401393 15.999 > 27 106 O 0.50000000000000 0.14516239593814 0.04706083401393 15.999 > 27 107 O 0.00000000000000 0.64516239593814 0.04706083401393 15.999 > 27 108 O 0.50000000000000 0.64516239593814 0.04706083401393 15.999 > 27 109 O 0.33333333333333 0.16666666666667 0.78009618721183 15.999 > 28 110 O 0.83333333333333 0.16666666666667 0.78009618721183 15.999 > 28 111 O 0.33333333333333 0.66666666666667 0.78009618721183 15.999 > 28 112 O 0.83333333333333 0.66666666666667 0.78009618721183 15.999 > 28 *113 Si 0.00000000000000 0.00000000000000 0.50034907389100 28.085 > 29 114 Si 0.50000000000000 0.00000000000000 0.50034907389100 28.085 > 29 115 Si 0.00000000000000 0.50000000000000 0.50034907389100 28.085 > 29 116 Si 0.50000000000000 0.50000000000000 0.50034907389100 28.085 > 29 117 Si 0.00000000000000 0.00000000000000 0.00034907389100 28.085 > 30 118 Si 0.50000000000000 0.00000000000000 0.00034907389100 28.085 > 30 119 Si 0.00000000000000 0.50000000000000 0.00034907389100 28.085 > 30 120 Si 0.50000000000000 0.50000000000000 0.00034907389100 28.085 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7998559 -0.0000000 0.0000000 0.0000000 2.7998559 0.0000000 0.0000000 0.0000000 2.8260097 -------------------------- Born effective charges -------------------------- 1 Li 0.9290820 0.0090132 0.0207039 0.0090132 0.9186745 -0.0358602 -0.0111629 0.0193347 0.9781420 2 Li 0.9290820 -0.0090132 -0.0207039 -0.0090132 0.9186745 -0.0358602 0.0111629 0.0193347 0.9781420 3 Li 1.0104797 0.0712368 0.0000000 -0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 4 Li 1.0104797 0.0712368 0.0000000 -0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 5 Li 1.0104797 -0.0712368 0.0000000 0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 6 Li 1.0104797 -0.0712368 0.0000000 0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 7 Li 0.9134613 0.0600027 -0.0476874 0.0600027 0.9827464 -0.0825970 -0.0428098 -0.0741488 0.8482064 8 Li 1.0173890 0.0000000 -0.0953748 -0.0000000 0.8788187 -0.0000000 -0.0856196 -0.0000000 0.8482064 9 Li 0.9134613 -0.0600027 0.0476874 -0.0600027 0.9827464 -0.0825970 0.0428098 -0.0741488 0.8482064 10 Li 0.9134613 -0.0600027 -0.0476874 -0.0600027 0.9827464 0.0825970 -0.0428098 0.0741488 0.8482064 11 Li 1.0173890 0.0000000 0.0953748 -0.0000000 0.8788187 -0.0000000 0.0856196 0.0000000 0.8482064 12 Li 0.9134613 0.0600027 0.0476874 0.0600027 0.9827464 0.0825970 0.0428098 0.0741488 0.8482064 13 Li 0.9290820 -0.0090132 0.0207039 -0.0090132 0.9186745 0.0358602 -0.0111629 -0.0193347 0.9781420 14 Li 0.9134707 -0.0000000 -0.0414078 -0.0000000 0.9342858 -0.0000000 0.0223258 0.0000000 0.9781420 15 Li 0.9290820 0.0090132 -0.0207039 0.0090132 0.9186745 0.0358602 0.0111629 -0.0193347 0.9781420 16 Li 0.9134707 -0.0000000 0.0414078 -0.0000000 0.9342858 -0.0000000 -0.0223258 -0.0000000 0.9781420 17 O -1.5468075 0.2923980 -0.1107458 0.2923980 -1.8844397 0.1918173 -0.1274775 0.2207975 -1.6229773 18 O -2.0532557 -0.0000000 0.2214915 -0.0000000 -1.3779915 -0.0000000 0.2549550 0.0000000 -1.6229773 19 O -1.5561578 0.0000000 0.0000000 -0.0000000 -1.5561578 -0.0000000 -0.0000000 0.0000000 -2.1221820 20 O -1.5561578 0.0000000 0.0000000 -0.0000000 -1.5561578 -0.0000000 -0.0000000 0.0000000 -2.1221820 21 O -1.8251058 -0.0278599 0.0000000 0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 22 O -1.8251058 -0.0278599 0.0000000 0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 23 O -1.8251058 0.0278599 0.0000000 -0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 24 O -1.5468075 -0.2923980 0.1107458 -0.2923980 -1.8844397 0.1918173 0.1274775 0.2207975 -1.6229773 25 O -1.5468075 -0.2923980 -0.1107458 -0.2923980 -1.8844397 -0.1918173 -0.1274775 -0.2207975 -1.6229773 26 O -2.0532557 -0.0000000 -0.2214915 -0.0000000 -1.3779915 -0.0000000 -0.2549550 -0.0000000 -1.6229773 27 O -1.5468075 0.2923980 0.1107458 0.2923980 -1.8844397 -0.1918173 0.1274775 -0.2207975 -1.6229773 28 O -1.8251058 0.0278599 0.0000000 -0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 29 Si 2.7163345 -0.0000000 0.0000000 -0.0000000 2.7163345 -0.0000000 -0.0000000 0.0000000 2.7295003 30 Si 2.7163345 -0.0000000 0.0000000 -0.0000000 2.7163345 -0.0000000 -0.0000000 0.0000000 2.7295003 ---------------------------------------------------------------------------- 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: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 762 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 152 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 246 eigenvectors found. (2) Block: 576 / 576 (2) 74 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 6), data: (576, 12) @ (12, 6) |-- (76, 74), data: True |-- (250, 246), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 8), data: (660, 20) @ (20, 8) |-- (160, 152), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 1.967 Solver_block: 200 / 320 - Time: 1.988 Solver_block: 300 / 320 - Time: 1.986 Solver_block: 320 / 320 - Time: 0.461 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.438 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 762 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 152 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 246 eigenvectors found. (2) Block: 576 / 576 (2) 74 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 6), data: (576, 12) @ (12, 6) |-- (76, 74), data: True |-- (250, 246), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 8), data: (660, 20) @ (20, 8) |-- (160, 152), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) 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 07:18:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:18:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.389996861265109 0.000000000000000 0.000000000000000 b -2.694998430632555 4.667874208173973 0.000000000000000 c 0.000000000000000 0.000000000000000 10.599866980000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.69293462611615 0.72980456541835 6.941 2 Li 0.69293462611615 0.69293462611615 0.22980456541835 6.941 3 Li 0.33333333333333 0.66666666666667 0.58848417724346 6.941 4 Li 0.66666666666667 0.33333333333333 0.08848417724346 6.941 5 Li 0.33333333333333 0.66666666666667 0.08848417724346 6.941 6 Li 0.66666666666667 0.33333333333333 0.58848417724346 6.941 7 Li 0.39517311913312 0.39517311913312 0.37110609312403 6.941 8 Li 0.39517311913312 0.00000000000000 0.87110609312403 6.941 9 Li 0.00000000000000 0.39517311913312 0.87110609312403 6.941 10 Li 0.00000000000000 0.60482688086688 0.37110609312403 6.941 11 Li 0.60482688086688 0.00000000000000 0.37110609312403 6.941 12 Li 0.60482688086688 0.60482688086688 0.87110609312403 6.941 13 Li 0.30706537388385 0.30706537388385 0.72980456541835 6.941 14 Li 0.69293462611615 0.00000000000000 0.72980456541835 6.941 15 Li 0.00000000000000 0.30706537388385 0.22980456541835 6.941 16 Li 0.30706537388385 0.00000000000000 0.22980456541835 6.941 17 O 0.00000000000000 0.70967520812373 0.54706083401393 15.999 18 O 0.70967520812373 0.00000000000000 0.54706083401393 15.999 19 O 0.00000000000000 0.00000000000000 0.84227575952951 15.999 20 O 0.00000000000000 0.00000000000000 0.34227575952951 15.999 21 O 0.33333333333333 0.66666666666667 0.78009618721183 15.999 22 O 0.66666666666667 0.33333333333333 0.28009618721183 15.999 23 O 0.33333333333333 0.66666666666667 0.28009618721183 15.999 24 O 0.70967520812373 0.70967520812373 0.04706083401393 15.999 25 O 0.29032479187627 0.29032479187627 0.54706083401393 15.999 26 O 0.29032479187627 0.00000000000000 0.04706083401393 15.999 27 O 0.00000000000000 0.29032479187627 0.04706083401393 15.999 28 O 0.66666666666667 0.33333333333333 0.78009618721183 15.999 29 Si 0.00000000000000 0.00000000000000 0.50034907389100 28.085 30 Si 0.00000000000000 0.00000000000000 0.00034907389100 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.779993722530218 0.000000000000000 0.000000000000000 b -5.389996861265110 9.335748416347945 0.000000000000000 c 0.000000000000000 0.000000000000000 10.599866980000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.34646731305808 0.72980456541835 6.941 > 1 2 Li 0.50000000000000 0.34646731305808 0.72980456541835 6.941 > 1 3 Li 0.00000000000000 0.84646731305808 0.72980456541835 6.941 > 1 4 Li 0.50000000000000 0.84646731305808 0.72980456541835 6.941 > 1 5 Li 0.34646731305808 0.34646731305808 0.22980456541835 6.941 > 5 6 Li 0.84646731305808 0.34646731305808 0.22980456541835 6.941 > 5 7 Li 0.34646731305808 0.84646731305808 0.22980456541835 6.941 > 5 8 Li 0.84646731305808 0.84646731305808 0.22980456541835 6.941 > 5 9 Li 0.16666666666667 0.33333333333333 0.58848417724346 6.941 > 9 10 Li 0.66666666666667 0.33333333333333 0.58848417724346 6.941 > 9 11 Li 0.16666666666667 0.83333333333333 0.58848417724346 6.941 > 9 12 Li 0.66666666666667 0.83333333333333 0.58848417724346 6.941 > 9 13 Li 0.33333333333333 0.16666666666667 0.08848417724346 6.941 > 13 14 Li 0.83333333333333 0.16666666666667 0.08848417724346 6.941 > 13 15 Li 0.33333333333333 0.66666666666667 0.08848417724346 6.941 > 13 16 Li 0.83333333333333 0.66666666666667 0.08848417724346 6.941 > 13 17 Li 0.16666666666667 0.33333333333333 0.08848417724346 6.941 > 17 18 Li 0.66666666666667 0.33333333333333 0.08848417724346 6.941 > 17 19 Li 0.16666666666667 0.83333333333333 0.08848417724346 6.941 > 17 20 Li 0.66666666666667 0.83333333333333 0.08848417724346 6.941 > 17 21 Li 0.33333333333333 0.16666666666667 0.58848417724346 6.941 > 21 22 Li 0.83333333333333 0.16666666666667 0.58848417724346 6.941 > 21 23 Li 0.33333333333333 0.66666666666667 0.58848417724346 6.941 > 21 24 Li 0.83333333333333 0.66666666666667 0.58848417724346 6.941 > 21 25 Li 0.19758655956656 0.19758655956656 0.37110609312403 6.941 > 25 26 Li 0.69758655956656 0.19758655956656 0.37110609312403 6.941 > 25 27 Li 0.19758655956656 0.69758655956656 0.37110609312403 6.941 > 25 28 Li 0.69758655956656 0.69758655956656 0.37110609312403 6.941 > 25 29 Li 0.19758655956656 0.00000000000000 0.87110609312403 6.941 > 29 30 Li 0.69758655956656 0.00000000000000 0.87110609312403 6.941 > 29 31 Li 0.19758655956656 0.50000000000000 0.87110609312403 6.941 > 29 32 Li 0.69758655956656 0.50000000000000 0.87110609312403 6.941 > 29 33 Li 0.00000000000000 0.19758655956656 0.87110609312403 6.941 > 33 34 Li 0.50000000000000 0.19758655956656 0.87110609312403 6.941 > 33 35 Li 0.00000000000000 0.69758655956656 0.87110609312403 6.941 > 33 36 Li 0.50000000000000 0.69758655956656 0.87110609312403 6.941 > 33 37 Li 0.00000000000000 0.30241344043344 0.37110609312403 6.941 > 37 38 Li 0.50000000000000 0.30241344043344 0.37110609312403 6.941 > 37 39 Li 0.00000000000000 0.80241344043344 0.37110609312403 6.941 > 37 40 Li 0.50000000000000 0.80241344043344 0.37110609312403 6.941 > 37 41 Li 0.30241344043344 0.00000000000000 0.37110609312403 6.941 > 41 42 Li 0.80241344043344 0.00000000000000 0.37110609312403 6.941 > 41 43 Li 0.30241344043344 0.50000000000000 0.37110609312403 6.941 > 41 44 Li 0.80241344043344 0.50000000000000 0.37110609312403 6.941 > 41 45 Li 0.30241344043344 0.30241344043344 0.87110609312403 6.941 > 45 46 Li 0.80241344043344 0.30241344043344 0.87110609312403 6.941 > 45 47 Li 0.30241344043344 0.80241344043344 0.87110609312403 6.941 > 45 48 Li 0.80241344043344 0.80241344043344 0.87110609312403 6.941 > 45 49 Li 0.15353268694192 0.15353268694192 0.72980456541835 6.941 > 49 50 Li 0.65353268694192 0.15353268694192 0.72980456541835 6.941 > 49 51 Li 0.15353268694192 0.65353268694192 0.72980456541835 6.941 > 49 52 Li 0.65353268694192 0.65353268694192 0.72980456541835 6.941 > 49 53 Li 0.34646731305808 0.00000000000000 0.72980456541835 6.941 > 53 54 Li 0.84646731305808 0.00000000000000 0.72980456541835 6.941 > 53 55 Li 0.34646731305808 0.50000000000000 0.72980456541835 6.941 > 53 56 Li 0.84646731305808 0.50000000000000 0.72980456541835 6.941 > 53 57 Li 0.00000000000000 0.15353268694192 0.22980456541835 6.941 > 57 58 Li 0.50000000000000 0.15353268694192 0.22980456541835 6.941 > 57 59 Li 0.00000000000000 0.65353268694192 0.22980456541835 6.941 > 57 60 Li 0.50000000000000 0.65353268694192 0.22980456541835 6.941 > 57 61 Li 0.15353268694192 0.00000000000000 0.22980456541835 6.941 > 61 62 Li 0.65353268694192 0.00000000000000 0.22980456541835 6.941 > 61 63 Li 0.15353268694192 0.50000000000000 0.22980456541835 6.941 > 61 64 Li 0.65353268694192 0.50000000000000 0.22980456541835 6.941 > 61 65 O 0.00000000000000 0.35483760406186 0.54706083401393 15.999 > 65 66 O 0.50000000000000 0.35483760406186 0.54706083401393 15.999 > 65 67 O 0.00000000000000 0.85483760406186 0.54706083401393 15.999 > 65 68 O 0.50000000000000 0.85483760406186 0.54706083401393 15.999 > 65 69 O 0.35483760406186 0.00000000000000 0.54706083401393 15.999 > 69 70 O 0.85483760406186 0.00000000000000 0.54706083401393 15.999 > 69 71 O 0.35483760406186 0.50000000000000 0.54706083401393 15.999 > 69 72 O 0.85483760406186 0.50000000000000 0.54706083401393 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.84227575952951 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.84227575952951 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.84227575952951 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.84227575952951 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.34227575952951 15.999 > 77 78 O 0.50000000000000 0.00000000000000 0.34227575952951 15.999 > 77 79 O 0.00000000000000 0.50000000000000 0.34227575952951 15.999 > 77 80 O 0.50000000000000 0.50000000000000 0.34227575952951 15.999 > 77 81 O 0.16666666666667 0.33333333333333 0.78009618721183 15.999 > 81 82 O 0.66666666666667 0.33333333333333 0.78009618721183 15.999 > 81 83 O 0.16666666666667 0.83333333333333 0.78009618721183 15.999 > 81 84 O 0.66666666666667 0.83333333333333 0.78009618721183 15.999 > 81 85 O 0.33333333333333 0.16666666666667 0.28009618721183 15.999 > 85 86 O 0.83333333333333 0.16666666666667 0.28009618721183 15.999 > 85 87 O 0.33333333333333 0.66666666666667 0.28009618721183 15.999 > 85 88 O 0.83333333333333 0.66666666666667 0.28009618721183 15.999 > 85 89 O 0.16666666666667 0.33333333333333 0.28009618721183 15.999 > 89 90 O 0.66666666666667 0.33333333333333 0.28009618721183 15.999 > 89 91 O 0.16666666666667 0.83333333333333 0.28009618721183 15.999 > 89 92 O 0.66666666666667 0.83333333333333 0.28009618721183 15.999 > 89 93 O 0.35483760406186 0.35483760406186 0.04706083401393 15.999 > 93 94 O 0.85483760406186 0.35483760406186 0.04706083401393 15.999 > 93 95 O 0.35483760406186 0.85483760406186 0.04706083401393 15.999 > 93 96 O 0.85483760406186 0.85483760406186 0.04706083401393 15.999 > 93 97 O 0.14516239593814 0.14516239593814 0.54706083401393 15.999 > 97 98 O 0.64516239593814 0.14516239593814 0.54706083401393 15.999 > 97 99 O 0.14516239593814 0.64516239593814 0.54706083401393 15.999 > 97 100 O 0.64516239593814 0.64516239593814 0.54706083401393 15.999 > 97 101 O 0.14516239593814 0.00000000000000 0.04706083401393 15.999 > 101 102 O 0.64516239593814 0.00000000000000 0.04706083401393 15.999 > 101 103 O 0.14516239593814 0.50000000000000 0.04706083401393 15.999 > 101 104 O 0.64516239593814 0.50000000000000 0.04706083401393 15.999 > 101 105 O 0.00000000000000 0.14516239593814 0.04706083401393 15.999 > 105 106 O 0.50000000000000 0.14516239593814 0.04706083401393 15.999 > 105 107 O 0.00000000000000 0.64516239593814 0.04706083401393 15.999 > 105 108 O 0.50000000000000 0.64516239593814 0.04706083401393 15.999 > 105 109 O 0.33333333333333 0.16666666666667 0.78009618721183 15.999 > 109 110 O 0.83333333333333 0.16666666666667 0.78009618721183 15.999 > 109 111 O 0.33333333333333 0.66666666666667 0.78009618721183 15.999 > 109 112 O 0.83333333333333 0.66666666666667 0.78009618721183 15.999 > 109 113 Si 0.00000000000000 0.00000000000000 0.50034907389100 28.085 > 113 114 Si 0.50000000000000 0.00000000000000 0.50034907389100 28.085 > 113 115 Si 0.00000000000000 0.50000000000000 0.50034907389100 28.085 > 113 116 Si 0.50000000000000 0.50000000000000 0.50034907389100 28.085 > 113 117 Si 0.00000000000000 0.00000000000000 0.00034907389100 28.085 > 117 118 Si 0.50000000000000 0.00000000000000 0.00034907389100 28.085 > 117 119 Si 0.00000000000000 0.50000000000000 0.00034907389100 28.085 > 117 120 Si 0.50000000000000 0.50000000000000 0.00034907389100 28.085 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7998559 -0.0000000 0.0000000 0.0000000 2.7998559 0.0000000 0.0000000 0.0000000 2.8260097 -------------------------- Born effective charges -------------------------- 1 Li 0.9290820 0.0090132 0.0207039 0.0090132 0.9186745 -0.0358602 -0.0111629 0.0193347 0.9781420 2 Li 0.9290820 -0.0090132 -0.0207039 -0.0090132 0.9186745 -0.0358602 0.0111629 0.0193347 0.9781420 3 Li 1.0104797 0.0712368 0.0000000 -0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 4 Li 1.0104797 0.0712368 0.0000000 -0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 5 Li 1.0104797 -0.0712368 0.0000000 0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 6 Li 1.0104797 -0.0712368 0.0000000 0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 7 Li 0.9134613 0.0600027 -0.0476874 0.0600027 0.9827464 -0.0825970 -0.0428098 -0.0741488 0.8482064 8 Li 1.0173890 0.0000000 -0.0953748 -0.0000000 0.8788187 -0.0000000 -0.0856196 -0.0000000 0.8482064 9 Li 0.9134613 -0.0600027 0.0476874 -0.0600027 0.9827464 -0.0825970 0.0428098 -0.0741488 0.8482064 10 Li 0.9134613 -0.0600027 -0.0476874 -0.0600027 0.9827464 0.0825970 -0.0428098 0.0741488 0.8482064 11 Li 1.0173890 0.0000000 0.0953748 -0.0000000 0.8788187 -0.0000000 0.0856196 0.0000000 0.8482064 12 Li 0.9134613 0.0600027 0.0476874 0.0600027 0.9827464 0.0825970 0.0428098 0.0741488 0.8482064 13 Li 0.9290820 -0.0090132 0.0207039 -0.0090132 0.9186745 0.0358602 -0.0111629 -0.0193347 0.9781420 14 Li 0.9134707 -0.0000000 -0.0414078 -0.0000000 0.9342858 -0.0000000 0.0223258 0.0000000 0.9781420 15 Li 0.9290820 0.0090132 -0.0207039 0.0090132 0.9186745 0.0358602 0.0111629 -0.0193347 0.9781420 16 Li 0.9134707 -0.0000000 0.0414078 -0.0000000 0.9342858 -0.0000000 -0.0223258 -0.0000000 0.9781420 17 O -1.5468075 0.2923980 -0.1107458 0.2923980 -1.8844397 0.1918173 -0.1274775 0.2207975 -1.6229773 18 O -2.0532557 -0.0000000 0.2214915 -0.0000000 -1.3779915 -0.0000000 0.2549550 0.0000000 -1.6229773 19 O -1.5561578 0.0000000 0.0000000 -0.0000000 -1.5561578 -0.0000000 -0.0000000 0.0000000 -2.1221820 20 O -1.5561578 0.0000000 0.0000000 -0.0000000 -1.5561578 -0.0000000 -0.0000000 0.0000000 -2.1221820 21 O -1.8251058 -0.0278599 0.0000000 0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 22 O -1.8251058 -0.0278599 0.0000000 0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 23 O -1.8251058 0.0278599 0.0000000 -0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 24 O -1.5468075 -0.2923980 0.1107458 -0.2923980 -1.8844397 0.1918173 0.1274775 0.2207975 -1.6229773 25 O -1.5468075 -0.2923980 -0.1107458 -0.2923980 -1.8844397 -0.1918173 -0.1274775 -0.2207975 -1.6229773 26 O -2.0532557 -0.0000000 -0.2214915 -0.0000000 -1.3779915 -0.0000000 -0.2549550 -0.0000000 -1.6229773 27 O -1.5468075 0.2923980 0.1107458 0.2923980 -1.8844397 -0.1918173 0.1274775 -0.2207975 -1.6229773 28 O -1.8251058 0.0278599 0.0000000 -0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 29 Si 2.7163345 -0.0000000 0.0000000 -0.0000000 2.7163345 -0.0000000 -0.0000000 0.0000000 2.7295003 30 Si 2.7163345 -0.0000000 0.0000000 -0.0000000 2.7163345 -0.0000000 -0.0000000 0.0000000 2.7295003 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:19:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:19:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.389996861265109 0.000000000000000 0.000000000000000 b -2.694998430632555 4.667874208173973 0.000000000000000 c 0.000000000000000 0.000000000000000 10.599866980000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.69293462611615 0.72980456541835 6.941 2 Li 0.69293462611615 0.69293462611615 0.22980456541835 6.941 3 Li 0.33333333333333 0.66666666666667 0.58848417724346 6.941 4 Li 0.66666666666667 0.33333333333333 0.08848417724346 6.941 5 Li 0.33333333333333 0.66666666666667 0.08848417724346 6.941 6 Li 0.66666666666667 0.33333333333333 0.58848417724346 6.941 7 Li 0.39517311913312 0.39517311913312 0.37110609312403 6.941 8 Li 0.39517311913312 0.00000000000000 0.87110609312403 6.941 9 Li 0.00000000000000 0.39517311913312 0.87110609312403 6.941 10 Li 0.00000000000000 0.60482688086688 0.37110609312403 6.941 11 Li 0.60482688086688 0.00000000000000 0.37110609312403 6.941 12 Li 0.60482688086688 0.60482688086688 0.87110609312403 6.941 13 Li 0.30706537388385 0.30706537388385 0.72980456541835 6.941 14 Li 0.69293462611615 0.00000000000000 0.72980456541835 6.941 15 Li 0.00000000000000 0.30706537388385 0.22980456541835 6.941 16 Li 0.30706537388385 0.00000000000000 0.22980456541835 6.941 17 O 0.00000000000000 0.70967520812373 0.54706083401393 15.999 18 O 0.70967520812373 0.00000000000000 0.54706083401393 15.999 19 O 0.00000000000000 0.00000000000000 0.84227575952951 15.999 20 O 0.00000000000000 0.00000000000000 0.34227575952951 15.999 21 O 0.33333333333333 0.66666666666667 0.78009618721183 15.999 22 O 0.66666666666667 0.33333333333333 0.28009618721183 15.999 23 O 0.33333333333333 0.66666666666667 0.28009618721183 15.999 24 O 0.70967520812373 0.70967520812373 0.04706083401393 15.999 25 O 0.29032479187627 0.29032479187627 0.54706083401393 15.999 26 O 0.29032479187627 0.00000000000000 0.04706083401393 15.999 27 O 0.00000000000000 0.29032479187627 0.04706083401393 15.999 28 O 0.66666666666667 0.33333333333333 0.78009618721183 15.999 29 Si 0.00000000000000 0.00000000000000 0.50034907389100 28.085 30 Si 0.00000000000000 0.00000000000000 0.00034907389100 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.779993722530218 0.000000000000000 0.000000000000000 b -5.389996861265110 9.335748416347945 0.000000000000000 c 0.000000000000000 0.000000000000000 10.599866980000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.34646731305808 0.72980456541835 6.941 > 1 2 Li 0.50000000000000 0.34646731305808 0.72980456541835 6.941 > 1 3 Li 0.00000000000000 0.84646731305808 0.72980456541835 6.941 > 1 4 Li 0.50000000000000 0.84646731305808 0.72980456541835 6.941 > 1 5 Li 0.34646731305808 0.34646731305808 0.22980456541835 6.941 > 5 6 Li 0.84646731305808 0.34646731305808 0.22980456541835 6.941 > 5 7 Li 0.34646731305808 0.84646731305808 0.22980456541835 6.941 > 5 8 Li 0.84646731305808 0.84646731305808 0.22980456541835 6.941 > 5 9 Li 0.16666666666667 0.33333333333333 0.58848417724346 6.941 > 9 10 Li 0.66666666666667 0.33333333333333 0.58848417724346 6.941 > 9 11 Li 0.16666666666667 0.83333333333333 0.58848417724346 6.941 > 9 12 Li 0.66666666666667 0.83333333333333 0.58848417724346 6.941 > 9 13 Li 0.33333333333333 0.16666666666667 0.08848417724346 6.941 > 13 14 Li 0.83333333333333 0.16666666666667 0.08848417724346 6.941 > 13 15 Li 0.33333333333333 0.66666666666667 0.08848417724346 6.941 > 13 16 Li 0.83333333333333 0.66666666666667 0.08848417724346 6.941 > 13 17 Li 0.16666666666667 0.33333333333333 0.08848417724346 6.941 > 17 18 Li 0.66666666666667 0.33333333333333 0.08848417724346 6.941 > 17 19 Li 0.16666666666667 0.83333333333333 0.08848417724346 6.941 > 17 20 Li 0.66666666666667 0.83333333333333 0.08848417724346 6.941 > 17 21 Li 0.33333333333333 0.16666666666667 0.58848417724346 6.941 > 21 22 Li 0.83333333333333 0.16666666666667 0.58848417724346 6.941 > 21 23 Li 0.33333333333333 0.66666666666667 0.58848417724346 6.941 > 21 24 Li 0.83333333333333 0.66666666666667 0.58848417724346 6.941 > 21 25 Li 0.19758655956656 0.19758655956656 0.37110609312403 6.941 > 25 26 Li 0.69758655956656 0.19758655956656 0.37110609312403 6.941 > 25 27 Li 0.19758655956656 0.69758655956656 0.37110609312403 6.941 > 25 28 Li 0.69758655956656 0.69758655956656 0.37110609312403 6.941 > 25 29 Li 0.19758655956656 0.00000000000000 0.87110609312403 6.941 > 29 30 Li 0.69758655956656 0.00000000000000 0.87110609312403 6.941 > 29 31 Li 0.19758655956656 0.50000000000000 0.87110609312403 6.941 > 29 32 Li 0.69758655956656 0.50000000000000 0.87110609312403 6.941 > 29 33 Li 0.00000000000000 0.19758655956656 0.87110609312403 6.941 > 33 34 Li 0.50000000000000 0.19758655956656 0.87110609312403 6.941 > 33 35 Li 0.00000000000000 0.69758655956656 0.87110609312403 6.941 > 33 36 Li 0.50000000000000 0.69758655956656 0.87110609312403 6.941 > 33 37 Li 0.00000000000000 0.30241344043344 0.37110609312403 6.941 > 37 38 Li 0.50000000000000 0.30241344043344 0.37110609312403 6.941 > 37 39 Li 0.00000000000000 0.80241344043344 0.37110609312403 6.941 > 37 40 Li 0.50000000000000 0.80241344043344 0.37110609312403 6.941 > 37 41 Li 0.30241344043344 0.00000000000000 0.37110609312403 6.941 > 41 42 Li 0.80241344043344 0.00000000000000 0.37110609312403 6.941 > 41 43 Li 0.30241344043344 0.50000000000000 0.37110609312403 6.941 > 41 44 Li 0.80241344043344 0.50000000000000 0.37110609312403 6.941 > 41 45 Li 0.30241344043344 0.30241344043344 0.87110609312403 6.941 > 45 46 Li 0.80241344043344 0.30241344043344 0.87110609312403 6.941 > 45 47 Li 0.30241344043344 0.80241344043344 0.87110609312403 6.941 > 45 48 Li 0.80241344043344 0.80241344043344 0.87110609312403 6.941 > 45 49 Li 0.15353268694192 0.15353268694192 0.72980456541835 6.941 > 49 50 Li 0.65353268694192 0.15353268694192 0.72980456541835 6.941 > 49 51 Li 0.15353268694192 0.65353268694192 0.72980456541835 6.941 > 49 52 Li 0.65353268694192 0.65353268694192 0.72980456541835 6.941 > 49 53 Li 0.34646731305808 0.00000000000000 0.72980456541835 6.941 > 53 54 Li 0.84646731305808 0.00000000000000 0.72980456541835 6.941 > 53 55 Li 0.34646731305808 0.50000000000000 0.72980456541835 6.941 > 53 56 Li 0.84646731305808 0.50000000000000 0.72980456541835 6.941 > 53 57 Li 0.00000000000000 0.15353268694192 0.22980456541835 6.941 > 57 58 Li 0.50000000000000 0.15353268694192 0.22980456541835 6.941 > 57 59 Li 0.00000000000000 0.65353268694192 0.22980456541835 6.941 > 57 60 Li 0.50000000000000 0.65353268694192 0.22980456541835 6.941 > 57 61 Li 0.15353268694192 0.00000000000000 0.22980456541835 6.941 > 61 62 Li 0.65353268694192 0.00000000000000 0.22980456541835 6.941 > 61 63 Li 0.15353268694192 0.50000000000000 0.22980456541835 6.941 > 61 64 Li 0.65353268694192 0.50000000000000 0.22980456541835 6.941 > 61 65 O 0.00000000000000 0.35483760406186 0.54706083401393 15.999 > 65 66 O 0.50000000000000 0.35483760406186 0.54706083401393 15.999 > 65 67 O 0.00000000000000 0.85483760406186 0.54706083401393 15.999 > 65 68 O 0.50000000000000 0.85483760406186 0.54706083401393 15.999 > 65 69 O 0.35483760406186 0.00000000000000 0.54706083401393 15.999 > 69 70 O 0.85483760406186 0.00000000000000 0.54706083401393 15.999 > 69 71 O 0.35483760406186 0.50000000000000 0.54706083401393 15.999 > 69 72 O 0.85483760406186 0.50000000000000 0.54706083401393 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.84227575952951 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.84227575952951 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.84227575952951 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.84227575952951 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.34227575952951 15.999 > 77 78 O 0.50000000000000 0.00000000000000 0.34227575952951 15.999 > 77 79 O 0.00000000000000 0.50000000000000 0.34227575952951 15.999 > 77 80 O 0.50000000000000 0.50000000000000 0.34227575952951 15.999 > 77 81 O 0.16666666666667 0.33333333333333 0.78009618721183 15.999 > 81 82 O 0.66666666666667 0.33333333333333 0.78009618721183 15.999 > 81 83 O 0.16666666666667 0.83333333333333 0.78009618721183 15.999 > 81 84 O 0.66666666666667 0.83333333333333 0.78009618721183 15.999 > 81 85 O 0.33333333333333 0.16666666666667 0.28009618721183 15.999 > 85 86 O 0.83333333333333 0.16666666666667 0.28009618721183 15.999 > 85 87 O 0.33333333333333 0.66666666666667 0.28009618721183 15.999 > 85 88 O 0.83333333333333 0.66666666666667 0.28009618721183 15.999 > 85 89 O 0.16666666666667 0.33333333333333 0.28009618721183 15.999 > 89 90 O 0.66666666666667 0.33333333333333 0.28009618721183 15.999 > 89 91 O 0.16666666666667 0.83333333333333 0.28009618721183 15.999 > 89 92 O 0.66666666666667 0.83333333333333 0.28009618721183 15.999 > 89 93 O 0.35483760406186 0.35483760406186 0.04706083401393 15.999 > 93 94 O 0.85483760406186 0.35483760406186 0.04706083401393 15.999 > 93 95 O 0.35483760406186 0.85483760406186 0.04706083401393 15.999 > 93 96 O 0.85483760406186 0.85483760406186 0.04706083401393 15.999 > 93 97 O 0.14516239593814 0.14516239593814 0.54706083401393 15.999 > 97 98 O 0.64516239593814 0.14516239593814 0.54706083401393 15.999 > 97 99 O 0.14516239593814 0.64516239593814 0.54706083401393 15.999 > 97 100 O 0.64516239593814 0.64516239593814 0.54706083401393 15.999 > 97 101 O 0.14516239593814 0.00000000000000 0.04706083401393 15.999 > 101 102 O 0.64516239593814 0.00000000000000 0.04706083401393 15.999 > 101 103 O 0.14516239593814 0.50000000000000 0.04706083401393 15.999 > 101 104 O 0.64516239593814 0.50000000000000 0.04706083401393 15.999 > 101 105 O 0.00000000000000 0.14516239593814 0.04706083401393 15.999 > 105 106 O 0.50000000000000 0.14516239593814 0.04706083401393 15.999 > 105 107 O 0.00000000000000 0.64516239593814 0.04706083401393 15.999 > 105 108 O 0.50000000000000 0.64516239593814 0.04706083401393 15.999 > 105 109 O 0.33333333333333 0.16666666666667 0.78009618721183 15.999 > 109 110 O 0.83333333333333 0.16666666666667 0.78009618721183 15.999 > 109 111 O 0.33333333333333 0.66666666666667 0.78009618721183 15.999 > 109 112 O 0.83333333333333 0.66666666666667 0.78009618721183 15.999 > 109 113 Si 0.00000000000000 0.00000000000000 0.50034907389100 28.085 > 113 114 Si 0.50000000000000 0.00000000000000 0.50034907389100 28.085 > 113 115 Si 0.00000000000000 0.50000000000000 0.50034907389100 28.085 > 113 116 Si 0.50000000000000 0.50000000000000 0.50034907389100 28.085 > 113 117 Si 0.00000000000000 0.00000000000000 0.00034907389100 28.085 > 117 118 Si 0.50000000000000 0.00000000000000 0.00034907389100 28.085 > 117 119 Si 0.00000000000000 0.50000000000000 0.00034907389100 28.085 > 117 120 Si 0.50000000000000 0.50000000000000 0.00034907389100 28.085 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7998559 -0.0000000 0.0000000 0.0000000 2.7998559 0.0000000 0.0000000 0.0000000 2.8260097 -------------------------- Born effective charges -------------------------- 1 Li 0.9290820 0.0090132 0.0207039 0.0090132 0.9186745 -0.0358602 -0.0111629 0.0193347 0.9781420 2 Li 0.9290820 -0.0090132 -0.0207039 -0.0090132 0.9186745 -0.0358602 0.0111629 0.0193347 0.9781420 3 Li 1.0104797 0.0712368 0.0000000 -0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 4 Li 1.0104797 0.0712368 0.0000000 -0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 5 Li 1.0104797 -0.0712368 0.0000000 0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 6 Li 1.0104797 -0.0712368 0.0000000 0.0712369 1.0104797 -0.0000000 -0.0000000 0.0000000 1.0564067 7 Li 0.9134613 0.0600027 -0.0476874 0.0600027 0.9827464 -0.0825970 -0.0428098 -0.0741488 0.8482064 8 Li 1.0173890 0.0000000 -0.0953748 -0.0000000 0.8788187 -0.0000000 -0.0856196 -0.0000000 0.8482064 9 Li 0.9134613 -0.0600027 0.0476874 -0.0600027 0.9827464 -0.0825970 0.0428098 -0.0741488 0.8482064 10 Li 0.9134613 -0.0600027 -0.0476874 -0.0600027 0.9827464 0.0825970 -0.0428098 0.0741488 0.8482064 11 Li 1.0173890 0.0000000 0.0953748 -0.0000000 0.8788187 -0.0000000 0.0856196 0.0000000 0.8482064 12 Li 0.9134613 0.0600027 0.0476874 0.0600027 0.9827464 0.0825970 0.0428098 0.0741488 0.8482064 13 Li 0.9290820 -0.0090132 0.0207039 -0.0090132 0.9186745 0.0358602 -0.0111629 -0.0193347 0.9781420 14 Li 0.9134707 -0.0000000 -0.0414078 -0.0000000 0.9342858 -0.0000000 0.0223258 0.0000000 0.9781420 15 Li 0.9290820 0.0090132 -0.0207039 0.0090132 0.9186745 0.0358602 0.0111629 -0.0193347 0.9781420 16 Li 0.9134707 -0.0000000 0.0414078 -0.0000000 0.9342858 -0.0000000 -0.0223258 -0.0000000 0.9781420 17 O -1.5468075 0.2923980 -0.1107458 0.2923980 -1.8844397 0.1918173 -0.1274775 0.2207975 -1.6229773 18 O -2.0532557 -0.0000000 0.2214915 -0.0000000 -1.3779915 -0.0000000 0.2549550 0.0000000 -1.6229773 19 O -1.5561578 0.0000000 0.0000000 -0.0000000 -1.5561578 -0.0000000 -0.0000000 0.0000000 -2.1221820 20 O -1.5561578 0.0000000 0.0000000 -0.0000000 -1.5561578 -0.0000000 -0.0000000 0.0000000 -2.1221820 21 O -1.8251058 -0.0278599 0.0000000 0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 22 O -1.8251058 -0.0278599 0.0000000 0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 23 O -1.8251058 0.0278599 0.0000000 -0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 24 O -1.5468075 -0.2923980 0.1107458 -0.2923980 -1.8844397 0.1918173 0.1274775 0.2207975 -1.6229773 25 O -1.5468075 -0.2923980 -0.1107458 -0.2923980 -1.8844397 -0.1918173 -0.1274775 -0.2207975 -1.6229773 26 O -2.0532557 -0.0000000 -0.2214915 -0.0000000 -1.3779915 -0.0000000 -0.2549550 -0.0000000 -1.6229773 27 O -1.5468075 0.2923980 0.1107458 0.2923980 -1.8844397 -0.1918173 0.1274775 -0.2207975 -1.6229773 28 O -1.8251058 0.0278599 0.0000000 -0.0278599 -1.8251058 -0.0000000 -0.0000000 0.0000000 -1.6651224 29 Si 2.7163345 -0.0000000 0.0000000 -0.0000000 2.7163345 -0.0000000 -0.0000000 0.0000000 2.7295003 30 Si 2.7163345 -0.0000000 0.0000000 -0.0000000 2.7163345 -0.0000000 -0.0000000 0.0000000 2.7295003 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 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: 0.65, Number of G-points: 313, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 48 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 4.168 ( 0.000 0.000 -0.000) 0.000 4.168 ( 0.000 -0.000 0.000) 0.000 4.866 ( -0.000 0.000 0.000) 0.000 4.866 ( 0.000 -0.000 0.000) 0.000 5.967 ( 0.000 0.000 -0.000) 0.000 5.967 ( -0.000 -0.000 -0.000) 0.000 6.255 ( -0.000 -0.000 0.000) 0.000 6.343 ( -0.000 -0.000 0.000) 0.000 7.467 ( -0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 -0.000 -0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.074 ( -0.000 0.000 -0.000) 0.000 8.390 ( -0.000 0.000 0.000) 0.000 8.390 ( 0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.702 ( 0.000 0.000 0.000) 0.000 8.702 ( 0.000 0.000 0.000) 0.000 9.140 ( -0.000 0.000 0.000) 0.000 9.140 ( -0.000 0.000 0.000) 0.000 9.603 ( -0.000 0.000 -0.000) 0.000 9.636 ( -0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.424 ( 0.000 -0.000 0.000) 0.000 10.893 ( 0.000 -0.000 0.000) 0.000 10.893 ( 0.000 0.000 -0.000) 0.000 10.912 ( 0.000 -0.000 -0.000) 0.000 10.912 ( 0.000 -0.000 -0.000) 0.000 10.925 ( 0.000 0.000 0.000) 0.000 10.964 ( -0.000 0.000 -0.000) 0.000 11.628 ( 0.000 0.000 -0.000) 0.000 11.628 ( 0.000 0.000 -0.000) 0.000 12.294 ( 0.000 -0.000 -0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.412 ( 0.000 -0.000 -0.000) 0.000 12.412 ( 0.000 -0.000 -0.000) 0.000 12.703 ( -0.000 -0.000 0.000) 0.000 12.703 ( -0.000 0.000 -0.000) 0.000 12.726 ( -0.000 0.000 0.000) 0.000 12.726 ( 0.000 0.000 0.000) 0.000 13.065 ( 0.000 0.000 -0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 -0.000 0.000) 0.000 13.484 ( 0.000 -0.000 0.000) 0.000 13.913 ( 0.000 0.000 0.000) 0.000 13.913 ( 0.000 0.000 -0.000) 0.000 14.100 ( 0.000 0.000 0.000) 0.000 14.100 ( 0.000 0.000 0.000) 0.000 14.155 ( -0.000 0.000 -0.000) 0.000 14.155 ( -0.000 -0.000 0.000) 0.000 14.290 ( 0.000 0.000 0.000) 0.000 14.439 ( 0.000 0.000 -0.000) 0.000 14.590 ( 0.000 -0.000 0.000) 0.000 14.590 ( 0.000 0.000 0.000) 0.000 14.870 ( 0.000 0.000 -0.000) 0.000 14.870 ( 0.000 -0.000 0.000) 0.000 14.880 ( -0.000 0.000 0.000) 0.000 14.880 ( 0.000 0.000 0.000) 0.000 15.133 ( 0.000 0.000 0.000) 0.000 15.133 ( 0.000 0.000 -0.000) 0.000 15.270 ( -0.000 -0.000 0.000) 0.000 15.365 ( 0.000 0.000 0.000) 0.000 16.387 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 -0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 16.957 ( 0.000 0.000 -0.000) 0.000 16.957 ( -0.000 0.000 0.000) 0.000 17.345 ( 0.000 0.000 0.000) 0.000 17.345 ( 0.000 0.000 -0.000) 0.000 17.629 ( 0.000 0.000 0.000) 0.000 18.218 ( -0.000 0.000 0.000) 0.000 18.791 ( -0.000 0.000 -0.000) 0.000 18.791 ( -0.000 0.000 0.000) 0.000 19.333 ( 0.000 0.000 0.000) 0.000 19.429 ( 0.000 0.000 -0.000) 0.000 19.429 ( 0.000 0.000 -0.000) 0.000 19.538 ( 0.000 0.000 0.000) 0.000 20.508 ( -0.000 0.000 0.000) 0.000 23.754 ( 0.000 0.000 0.000) 0.000 24.390 ( -0.000 0.000 0.000) 0.000 25.723 ( 0.000 0.000 -0.000) 0.000 27.152 ( 0.000 0.000 0.000) 0.000 27.152 ( 0.000 -0.000 0.000) 0.000 27.154 ( 0.000 -0.000 -0.000) 0.000 27.154 ( 0.000 0.000 -0.000) 0.000 27.440 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 44.088 25.454 0.000) 50.908 1.053 ( 46.703 26.964 0.000) 53.928 1.632 ( 71.475 41.266 0.000) 82.532 4.250 ( 7.094 4.095 0.000) 8.191 4.271 ( 7.965 4.599 0.000) 9.197 4.900 ( 4.407 2.544 0.000) 5.089 4.942 ( 6.616 3.820 0.000) 7.640 5.960 ( -0.567 -0.327 0.000) 0.655 6.156 ( 7.965 4.599 0.000) 9.198 6.253 ( -0.459 -0.265 0.000) 0.530 6.550 ( 17.026 9.830 0.000) 19.660 7.465 ( -0.455 -0.262 0.000) 0.525 7.466 ( -0.740 -0.427 0.000) 0.855 7.682 ( -2.518 -1.454 0.000) 2.908 8.002 ( -1.624 -0.937 0.000) 1.875 8.027 ( -5.333 -3.079 0.000) 6.158 8.299 ( -6.099 -3.521 0.000) 7.042 8.342 ( -10.854 -6.267 0.000) 12.533 8.600 ( -1.290 -0.745 0.000) 1.490 8.750 ( -0.147 -0.085 0.000) 0.169 8.852 ( 5.796 3.346 0.000) 6.692 8.985 ( -9.170 -5.294 0.000) 10.588 9.274 ( -4.067 -2.348 0.000) 4.696 9.598 ( -2.462 -1.422 0.000) 2.843 9.716 ( 5.272 3.044 0.000) 6.087 10.191 ( -5.806 -3.352 0.000) 6.704 10.408 ( -1.072 -0.619 0.000) 1.238 10.531 ( -15.382 -8.881 0.000) 17.762 10.623 ( -14.319 -8.267 0.000) 16.534 10.829 ( -5.085 -2.936 0.000) 5.872 11.058 ( 0.839 0.484 0.000) 0.969 11.094 ( 7.603 4.390 0.000) 8.779 11.244 ( 10.300 5.947 0.000) 11.893 11.683 ( 4.395 2.537 0.000) 5.075 11.693 ( -4.640 -2.679 0.000) 5.358 12.212 ( -6.975 -4.027 0.000) 8.054 12.291 ( -2.172 -1.254 0.000) 2.508 12.362 ( -2.673 -1.543 0.000) 3.087 12.408 ( -5.893 -3.402 0.000) 6.805 12.627 ( -13.220 -7.633 0.000) 15.266 12.650 ( -4.483 -2.588 0.000) 5.176 12.730 ( 1.075 0.621 0.000) 1.241 12.837 ( -2.571 -1.485 0.000) 2.969 13.106 ( -9.528 -5.501 0.000) 11.002 13.274 ( 1.914 1.105 0.000) 2.210 13.462 ( -1.642 -0.948 0.000) 1.896 13.487 ( 9.393 5.423 0.000) 10.846 13.841 ( -4.791 -2.766 0.000) 5.532 13.857 ( -4.092 -2.363 0.000) 4.725 14.014 ( -7.703 -4.447 0.000) 8.895 14.065 ( -3.941 -2.275 0.000) 4.550 14.134 ( -0.660 -0.381 0.000) 0.763 14.145 ( -1.083 -0.625 0.000) 1.250 14.342 ( 3.894 2.248 0.000) 4.497 14.609 ( 2.130 1.230 0.000) 2.460 14.659 ( 10.847 6.262 0.000) 12.525 14.665 ( 2.855 1.648 0.000) 3.297 14.706 ( -9.795 -5.655 0.000) 11.311 14.797 ( -2.731 -1.577 0.000) 3.153 14.915 ( -2.736 -1.580 0.000) 3.160 15.052 ( 2.964 1.711 0.000) 3.423 15.158 ( 4.047 2.337 0.000) 4.674 15.260 ( -0.594 -0.343 0.000) 0.686 15.646 ( 12.885 7.439 0.000) 14.878 16.271 ( -4.846 -2.798 0.000) 5.596 16.387 ( 0.407 0.235 0.000) 0.470 16.459 ( 1.474 0.851 0.000) 1.702 16.875 ( -4.168 -2.406 0.000) 4.813 16.943 ( -1.332 -0.769 0.000) 1.538 17.104 ( 10.119 5.842 0.000) 11.684 17.158 ( 5.036 2.908 0.000) 5.815 17.381 ( 2.988 1.725 0.000) 3.451 17.700 ( 5.999 3.464 0.000) 6.927 18.178 ( -2.981 -1.721 0.000) 3.442 18.603 ( 3.719 2.147 0.000) 4.294 18.912 ( 9.833 5.677 0.000) 11.354 19.061 ( -15.029 -8.677 0.000) 17.354 19.464 ( 2.390 1.380 0.000) 2.760 19.510 ( -1.706 -0.985 0.000) 1.969 19.604 ( 7.067 4.080 0.000) 8.161 19.968 ( 2.098 1.211 0.000) 2.423 20.518 ( 0.871 0.503 0.000) 1.005 23.753 ( -0.111 -0.064 0.000) 0.129 24.402 ( 1.187 0.686 0.000) 1.371 25.733 ( 0.798 0.461 0.000) 0.922 27.028 ( -8.857 -5.113 0.000) 10.227 27.178 ( 2.302 1.329 0.000) 2.659 27.184 ( 2.645 1.527 0.000) 3.054 27.588 ( 10.479 6.050 0.000) 12.100 29.010 ( -1.417 -0.818 0.000) 1.636 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 43.176 24.928 0.000) 49.856 2.093 ( 45.608 26.332 0.000) 52.664 3.189 ( 66.179 38.208 0.000) 76.417 4.470 ( 9.360 5.404 0.000) 10.808 4.471 ( 12.105 6.989 0.000) 13.978 5.110 ( 13.716 7.919 0.000) 15.837 5.151 ( 11.596 6.695 0.000) 13.390 5.944 ( -0.888 -0.513 0.000) 1.025 6.227 ( -1.809 -1.044 0.000) 2.088 6.380 ( 10.400 6.004 0.000) 12.009 7.003 ( 20.011 11.553 0.000) 23.107 7.406 ( -6.862 -3.962 0.000) 7.923 7.409 ( -4.130 -2.385 0.000) 4.769 7.572 ( -7.979 -4.607 0.000) 9.213 7.821 ( -10.138 -5.853 0.000) 11.706 8.000 ( 0.643 0.371 0.000) 0.743 8.112 ( -7.368 -4.254 0.000) 8.507 8.161 ( -5.891 -3.401 0.000) 6.802 8.577 ( -10.838 -6.257 0.000) 12.514 8.606 ( -0.284 -0.164 0.000) 0.328 8.866 ( -2.981 -1.721 0.000) 3.442 8.944 ( 3.437 1.984 0.000) 3.969 9.238 ( 2.169 1.252 0.000) 2.504 9.560 ( -1.248 -0.720 0.000) 1.441 9.658 ( -10.691 -6.172 0.000) 12.345 10.010 ( -9.643 -5.568 0.000) 11.135 10.228 ( -12.197 -7.042 0.000) 14.084 10.391 ( -0.193 -0.111 0.000) 0.223 10.476 ( 3.325 1.920 0.000) 3.839 10.688 ( -7.385 -4.263 0.000) 8.527 10.996 ( -5.292 -3.055 0.000) 6.110 11.270 ( 6.927 3.999 0.000) 7.998 11.374 ( 1.723 0.995 0.000) 1.990 11.474 ( -15.982 -9.227 0.000) 18.455 11.709 ( -5.669 -3.273 0.000) 6.546 12.006 ( -13.240 -7.644 0.000) 15.288 12.120 ( -13.247 -7.648 0.000) 15.297 12.166 ( -6.383 -3.685 0.000) 7.371 12.375 ( 4.675 2.699 0.000) 5.398 12.418 ( -5.459 -3.152 0.000) 6.304 12.608 ( 0.809 0.467 0.000) 0.935 12.730 ( -0.815 -0.470 0.000) 0.941 12.831 ( -5.162 -2.980 0.000) 5.961 12.846 ( -8.670 -5.006 0.000) 10.012 13.332 ( 2.546 1.470 0.000) 2.940 13.428 ( -0.563 -0.325 0.000) 0.650 13.601 ( 0.733 0.423 0.000) 0.847 13.730 ( -4.173 -2.410 0.000) 4.819 13.753 ( -5.008 -2.891 0.000) 5.782 13.898 ( -2.547 -1.471 0.000) 2.941 13.962 ( -4.543 -2.623 0.000) 5.246 14.069 ( -5.516 -3.184 0.000) 6.369 14.104 ( -1.979 -1.142 0.000) 2.285 14.437 ( 3.578 2.066 0.000) 4.131 14.463 ( -10.560 -6.097 0.000) 12.194 14.545 ( -5.227 -3.018 0.000) 6.035 14.643 ( -1.615 -0.932 0.000) 1.865 14.838 ( 5.291 3.055 0.000) 6.110 14.906 ( 5.409 3.123 0.000) 6.246 14.910 ( 3.246 1.874 0.000) 3.748 15.186 ( 7.482 4.320 0.000) 8.640 15.240 ( -0.256 -0.148 0.000) 0.295 15.382 ( 13.941 8.049 0.000) 16.098 15.659 ( -9.022 -5.209 0.000) 10.418 16.369 ( -2.172 -1.254 0.000) 2.508 16.419 ( 15.327 8.849 0.000) 17.698 16.481 ( 0.533 0.308 0.000) 0.615 16.804 ( -2.381 -1.375 0.000) 2.750 16.905 ( -1.411 -0.815 0.000) 1.630 17.258 ( 3.827 2.209 0.000) 4.419 17.329 ( 9.032 5.214 0.000) 10.429 17.458 ( 3.226 1.863 0.000) 3.726 17.860 ( 7.050 4.071 0.000) 8.141 18.108 ( -2.935 -1.694 0.000) 3.389 18.715 ( 5.913 3.414 0.000) 6.828 18.720 ( -14.060 -8.118 0.000) 16.235 19.201 ( 14.681 8.476 0.000) 16.952 19.431 ( -3.073 -1.774 0.000) 3.548 19.569 ( 4.685 2.705 0.000) 5.410 19.720 ( 3.555 2.052 0.000) 4.104 20.034 ( 3.635 2.099 0.000) 4.197 20.546 ( 1.482 0.856 0.000) 1.712 23.749 ( -0.278 -0.160 0.000) 0.321 24.445 ( 2.538 1.466 0.000) 2.931 25.757 ( 1.342 0.775 0.000) 1.549 26.802 ( -10.795 -6.233 0.000) 12.465 27.251 ( 4.088 2.360 0.000) 4.720 27.269 ( 4.810 2.777 0.000) 5.554 27.844 ( 11.442 6.606 0.000) 13.212 28.963 ( -2.664 -1.538 0.000) 3.076 ======================= Grid point 3 (4/48) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 41.006 23.675 0.000) 47.350 3.095 ( 43.265 24.979 0.000) 49.958 4.536 ( 49.175 28.391 0.000) 56.783 4.706 ( 11.769 6.795 0.000) 13.589 4.781 ( 16.645 9.610 0.000) 19.220 5.436 ( 13.155 7.595 0.000) 15.190 5.460 ( 16.854 9.730 0.000) 19.461 5.904 ( -3.215 -1.856 0.000) 3.712 6.194 ( -0.234 -0.135 0.000) 0.270 6.480 ( -6.133 -3.541 0.000) 7.082 7.145 ( -11.574 -6.682 0.000) 13.364 7.197 ( -5.702 -3.292 0.000) 6.585 7.368 ( -0.762 -0.440 0.000) 0.880 7.385 ( -8.222 -4.747 0.000) 9.493 7.673 ( -2.311 -1.334 0.000) 2.668 7.914 ( -6.493 -3.749 0.000) 7.498 8.039 ( 0.848 0.490 0.000) 0.980 8.062 ( -3.862 -2.230 0.000) 4.460 8.469 ( 2.230 1.287 0.000) 2.575 8.564 ( -2.290 -1.322 0.000) 2.645 8.911 ( 9.917 5.726 0.000) 11.452 9.049 ( 5.368 3.099 0.000) 6.198 9.350 ( -13.343 -7.703 0.000) 15.407 9.353 ( 6.945 4.010 0.000) 8.020 9.508 ( -5.241 -3.026 0.000) 6.051 9.791 ( -9.097 -5.252 0.000) 10.504 10.037 ( -3.960 -2.286 0.000) 4.572 10.401 ( 0.295 0.170 0.000) 0.340 10.501 ( -8.693 -5.019 0.000) 10.037 10.610 ( 4.933 2.848 0.000) 5.697 10.869 ( -4.823 -2.785 0.000) 5.570 10.989 ( -23.448 -13.538 0.000) 27.076 11.313 ( -8.533 -4.927 0.000) 9.854 11.376 ( -1.059 -0.611 0.000) 1.223 11.501 ( -7.175 -4.142 0.000) 8.285 11.613 ( -15.995 -9.235 0.000) 18.470 11.957 ( -6.770 -3.909 0.000) 7.818 12.022 ( -6.727 -3.884 0.000) 7.767 12.265 ( -10.873 -6.277 0.000) 12.555 12.472 ( -12.932 -7.466 0.000) 14.932 12.509 ( 1.440 0.831 0.000) 1.662 12.682 ( 8.174 4.719 0.000) 9.438 12.745 ( 3.575 2.064 0.000) 4.129 12.880 ( 2.740 1.582 0.000) 3.164 13.333 ( -1.632 -0.942 0.000) 1.885 13.489 ( 4.828 2.787 0.000) 5.575 13.556 ( -3.206 -1.851 0.000) 3.701 13.627 ( -6.655 -3.842 0.000) 7.685 13.686 ( -0.760 -0.439 0.000) 0.877 13.855 ( -6.001 -3.465 0.000) 6.930 13.864 ( -0.641 -0.370 0.000) 0.740 13.934 ( -4.447 -2.568 0.000) 5.135 14.070 ( -0.620 -0.358 0.000) 0.716 14.272 ( -6.430 -3.712 0.000) 7.424 14.423 ( -2.295 -1.325 0.000) 2.650 14.532 ( -6.929 -4.000 0.000) 8.001 14.582 ( 5.343 3.085 0.000) 6.169 14.872 ( -0.805 -0.465 0.000) 0.929 14.970 ( -0.745 -0.430 0.000) 0.860 15.035 ( 5.139 2.967 0.000) 5.934 15.240 ( 0.383 0.221 0.000) 0.443 15.323 ( 1.747 1.009 0.000) 2.017 15.507 ( 0.812 0.469 0.000) 0.938 15.696 ( 12.096 6.984 0.000) 13.968 16.298 ( -3.792 -2.189 0.000) 4.379 16.475 ( -0.453 -0.261 0.000) 0.523 16.753 ( -1.870 -1.080 0.000) 2.159 16.776 ( 14.304 8.259 0.000) 16.517 16.910 ( 1.876 1.083 0.000) 2.167 17.332 ( 2.773 1.601 0.000) 3.202 17.471 ( 1.824 1.053 0.000) 2.106 17.527 ( 4.473 2.583 0.000) 5.165 17.977 ( 2.900 1.674 0.000) 3.348 18.055 ( -1.638 -0.946 0.000) 1.891 18.450 ( -9.760 -5.635 0.000) 11.269 18.851 ( 5.720 3.303 0.000) 6.605 19.370 ( -2.162 -1.248 0.000) 2.497 19.543 ( 15.016 8.669 0.000) 17.339 19.678 ( 4.849 2.800 0.000) 5.599 19.781 ( 2.295 1.325 0.000) 2.650 20.126 ( 4.342 2.507 0.000) 5.013 20.574 ( 0.768 0.444 0.000) 0.887 23.741 ( -0.386 -0.223 0.000) 0.445 24.510 ( 3.059 1.766 0.000) 3.532 25.789 ( 1.422 0.821 0.000) 1.642 26.565 ( -9.792 -5.653 0.000) 11.306 27.354 ( 4.825 2.786 0.000) 5.572 27.392 ( 5.896 3.404 0.000) 6.808 28.074 ( 8.565 4.945 0.000) 9.890 28.893 ( -3.440 -1.986 0.000) 3.972 ======================= Grid point 4 (5/48) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.806 ( 36.594 21.128 0.000) 42.255 4.019 ( 38.128 22.013 0.000) 44.026 4.974 ( 10.918 6.303 0.000) 12.607 5.045 ( 12.444 7.185 0.000) 14.370 5.326 ( 13.770 7.950 0.000) 15.901 5.623 ( 1.740 1.005 0.000) 2.009 5.804 ( -4.458 -2.574 0.000) 5.148 6.008 ( 26.582 15.347 0.000) 30.694 6.167 ( -13.508 -7.799 0.000) 15.598 6.237 ( 3.721 2.148 0.000) 4.297 6.832 ( -16.775 -9.685 0.000) 19.371 6.983 ( -10.976 -6.337 0.000) 12.674 7.164 ( -13.176 -7.607 0.000) 15.214 7.248 ( -3.854 -2.225 0.000) 4.451 7.794 ( -6.784 -3.917 0.000) 7.833 7.807 ( 12.895 7.445 0.000) 14.890 8.011 ( 1.430 0.825 0.000) 1.651 8.113 ( 4.692 2.709 0.000) 5.418 8.550 ( 2.121 1.225 0.000) 2.450 8.597 ( 7.420 4.284 0.000) 8.568 9.104 ( -8.214 -4.742 0.000) 9.484 9.159 ( 4.128 2.383 0.000) 4.766 9.217 ( 5.458 3.151 0.000) 6.303 9.375 ( 2.034 1.174 0.000) 2.348 9.483 ( 2.453 1.416 0.000) 2.833 9.638 ( -3.026 -1.747 0.000) 3.494 10.071 ( 7.321 4.227 0.000) 8.454 10.142 ( -20.173 -11.647 0.000) 23.294 10.498 ( -1.341 -0.774 0.000) 1.548 10.554 ( -7.455 -4.304 0.000) 8.608 10.596 ( -5.503 -3.177 0.000) 6.354 10.820 ( -0.761 -0.439 0.000) 0.879 11.061 ( -10.887 -6.285 0.000) 12.571 11.156 ( -12.711 -7.339 0.000) 14.678 11.390 ( -9.785 -5.650 0.000) 11.299 11.442 ( -0.078 -0.045 0.000) 0.090 11.626 ( -19.743 -11.399 0.000) 22.798 11.879 ( -5.107 -2.949 0.000) 5.897 12.073 ( -1.627 -0.939 0.000) 1.878 12.371 ( -0.330 -0.190 0.000) 0.381 12.434 ( -6.073 -3.506 0.000) 7.012 12.813 ( 4.658 2.689 0.000) 5.379 12.930 ( 1.289 0.744 0.000) 1.488 12.996 ( 14.532 8.390 0.000) 16.780 13.282 ( -4.114 -2.375 0.000) 4.750 13.451 ( -6.560 -3.787 0.000) 7.574 13.482 ( -3.138 -1.812 0.000) 3.623 13.573 ( 1.282 0.740 0.000) 1.480 13.669 ( -0.771 -0.445 0.000) 0.890 13.754 ( -1.206 -0.697 0.000) 1.393 13.879 ( 1.963 1.133 0.000) 2.266 13.885 ( -0.792 -0.457 0.000) 0.915 14.073 ( 0.650 0.375 0.000) 0.751 14.125 ( -7.968 -4.600 0.000) 9.201 14.371 ( -2.490 -1.437 0.000) 2.875 14.392 ( -4.199 -2.424 0.000) 4.849 14.710 ( 5.190 2.996 0.000) 5.993 14.853 ( -7.698 -4.444 0.000) 8.888 14.854 ( 0.376 0.217 0.000) 0.434 15.112 ( 1.523 0.879 0.000) 1.758 15.256 ( 0.831 0.480 0.000) 0.960 15.334 ( 1.171 0.676 0.000) 1.352 15.627 ( 5.788 3.342 0.000) 6.683 15.876 ( 3.495 2.018 0.000) 4.035 16.216 ( -2.980 -1.721 0.000) 3.442 16.471 ( 0.232 0.134 0.000) 0.268 16.746 ( 1.479 0.854 0.000) 1.707 16.969 ( 2.835 1.637 0.000) 3.273 17.039 ( 9.094 5.250 0.000) 10.500 17.384 ( 1.781 1.029 0.000) 2.057 17.448 ( -2.621 -1.513 0.000) 3.026 17.627 ( 3.550 2.050 0.000) 4.099 17.993 ( -1.041 -0.601 0.000) 1.202 18.039 ( 0.301 0.174 0.000) 0.348 18.274 ( -6.198 -3.578 0.000) 7.157 18.959 ( 3.789 2.187 0.000) 4.375 19.334 ( -1.112 -0.642 0.000) 1.284 19.781 ( 4.070 2.350 0.000) 4.700 19.791 ( 3.510 2.026 0.000) 4.053 19.890 ( 10.485 6.053 0.000) 12.107 20.216 ( 3.395 1.960 0.000) 3.920 20.571 ( -1.113 -0.642 0.000) 1.285 23.733 ( -0.319 -0.184 0.000) 0.368 24.572 ( 2.272 1.312 0.000) 2.624 25.818 ( 1.037 0.598 0.000) 1.197 26.379 ( -6.458 -3.729 0.000) 7.458 27.457 ( 4.030 2.326 0.000) 4.653 27.521 ( 5.164 2.981 0.000) 5.963 28.222 ( 4.655 2.688 0.000) 5.375 28.816 ( -3.203 -1.849 0.000) 3.698 ======================= Grid point 5 (6/48) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.519 ( 23.718 13.694 0.000) 27.387 4.729 ( 21.150 12.211 0.000) 24.422 5.129 ( 1.374 0.793 0.000) 1.586 5.251 ( 3.285 1.897 0.000) 3.794 5.468 ( 6.742 3.892 0.000) 7.784 5.488 ( -9.343 -5.394 0.000) 10.788 5.762 ( -0.193 -0.111 0.000) 0.222 5.861 ( -12.170 -7.027 0.000) 14.053 6.207 ( -8.695 -5.020 0.000) 10.040 6.325 ( 3.046 1.759 0.000) 3.517 6.787 ( 10.150 5.860 0.000) 11.721 6.812 ( -2.768 -1.598 0.000) 3.197 6.910 ( -7.972 -4.602 0.000) 9.205 7.183 ( -1.931 -1.115 0.000) 2.229 7.650 ( -4.212 -2.432 0.000) 4.864 8.069 ( 2.124 1.226 0.000) 2.453 8.072 ( 7.133 4.118 0.000) 8.237 8.213 ( 3.347 1.933 0.000) 3.865 8.682 ( 7.330 4.232 0.000) 8.464 8.756 ( 5.849 3.377 0.000) 6.754 8.958 ( -5.259 -3.037 0.000) 6.073 9.089 ( -5.218 -3.013 0.000) 6.025 9.246 ( 4.468 2.580 0.000) 5.159 9.482 ( 0.269 0.155 0.000) 0.311 9.604 ( 7.297 4.213 0.000) 8.426 9.605 ( -4.219 -2.436 0.000) 4.872 9.693 ( -14.202 -8.200 0.000) 16.399 10.289 ( -6.422 -3.708 0.000) 7.416 10.318 ( 9.127 5.270 0.000) 10.539 10.482 ( 0.628 0.362 0.000) 0.725 10.670 ( 5.156 2.977 0.000) 5.954 10.719 ( -9.708 -5.605 0.000) 11.210 10.909 ( -1.749 -1.010 0.000) 2.019 10.952 ( -4.208 -2.430 0.000) 4.859 11.090 ( -11.203 -6.468 0.000) 12.936 11.349 ( -5.661 -3.269 0.000) 6.537 11.430 ( -1.221 -0.705 0.000) 1.410 11.839 ( 1.122 0.648 0.000) 1.296 12.085 ( 1.020 0.589 0.000) 1.178 12.283 ( -5.569 -3.216 0.000) 6.431 12.376 ( 0.276 0.159 0.000) 0.319 12.930 ( 5.768 3.330 0.000) 6.661 12.939 ( -0.085 -0.049 0.000) 0.098 13.094 ( -7.631 -4.406 0.000) 8.812 13.319 ( 9.364 5.406 0.000) 10.812 13.406 ( 0.488 0.282 0.000) 0.564 13.428 ( -1.404 -0.811 0.000) 1.621 13.575 ( 1.175 0.678 0.000) 1.357 13.656 ( -0.319 -0.184 0.000) 0.368 13.731 ( -3.848 -2.222 0.000) 4.443 13.887 ( 0.732 0.422 0.000) 0.845 13.928 ( 1.626 0.939 0.000) 1.878 13.937 ( -5.923 -3.420 0.000) 6.840 14.089 ( 0.517 0.298 0.000) 0.597 14.319 ( -1.632 -0.942 0.000) 1.884 14.350 ( -0.350 -0.202 0.000) 0.405 14.707 ( -4.031 -2.328 0.000) 4.655 14.763 ( 0.242 0.140 0.000) 0.280 14.933 ( 4.919 2.840 0.000) 5.680 15.103 ( -1.894 -1.093 0.000) 2.187 15.268 ( 0.218 0.126 0.000) 0.252 15.360 ( 0.750 0.433 0.000) 0.866 15.715 ( 1.899 1.096 0.000) 2.193 15.887 ( -0.870 -0.503 0.000) 1.005 16.176 ( -0.717 -0.414 0.000) 0.828 16.481 ( 0.409 0.236 0.000) 0.473 16.793 ( 1.682 0.971 0.000) 1.942 17.018 ( 1.268 0.732 0.000) 1.464 17.189 ( 4.095 2.364 0.000) 4.729 17.382 ( -2.517 -1.453 0.000) 2.907 17.412 ( 0.666 0.384 0.000) 0.769 17.680 ( 1.193 0.689 0.000) 1.378 17.960 ( -1.175 -0.678 0.000) 1.356 18.065 ( 1.661 0.959 0.000) 1.919 18.164 ( -3.483 -2.011 0.000) 4.021 19.017 ( 1.279 0.739 0.000) 1.477 19.318 ( -0.348 -0.201 0.000) 0.402 19.826 ( 0.645 0.372 0.000) 0.745 19.848 ( 1.670 0.964 0.000) 1.928 20.095 ( 5.684 3.282 0.000) 6.563 20.269 ( 1.234 0.712 0.000) 1.425 20.533 ( -1.641 -0.948 0.000) 1.895 23.728 ( -0.118 -0.068 0.000) 0.137 24.607 ( 0.791 0.456 0.000) 0.913 25.834 ( 0.373 0.215 0.000) 0.430 26.281 ( -2.188 -1.263 0.000) 2.526 27.523 ( 1.600 0.924 0.000) 1.847 27.607 ( 2.135 1.233 0.000) 2.466 28.288 ( 1.378 0.796 0.000) 1.591 28.762 ( -1.385 -0.800 0.000) 1.600 ======================= Grid point 12 (7/48) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 24.547 42.517 0.000) 49.094 1.817 ( 26.569 46.019 0.000) 53.138 2.792 ( 39.653 68.681 0.000) 79.306 4.395 ( 5.994 10.381 0.000) 11.987 4.418 ( 5.365 9.293 0.000) 10.730 5.033 ( 6.863 11.886 0.000) 13.725 5.088 ( 6.290 10.895 0.000) 12.581 5.950 ( -0.573 -0.993 0.000) 1.147 6.239 ( -0.777 -1.346 0.000) 1.555 6.307 ( 6.173 10.692 0.000) 12.346 6.882 ( 12.199 21.129 0.000) 24.398 7.413 ( -3.649 -6.321 0.000) 7.299 7.446 ( -1.473 -2.551 0.000) 2.946 7.639 ( -1.416 -2.452 0.000) 2.832 7.837 ( -8.163 -14.138 0.000) 16.325 8.006 ( 1.254 2.173 0.000) 2.509 8.162 ( -5.401 -9.354 0.000) 10.801 8.324 ( 1.036 1.794 0.000) 2.072 8.435 ( -6.104 -10.573 0.000) 12.209 8.654 ( -7.015 -12.150 0.000) 14.030 8.923 ( 2.083 3.607 0.000) 4.166 8.992 ( 2.756 4.773 0.000) 5.511 9.164 ( -3.907 -6.768 0.000) 7.815 9.591 ( 0.394 0.683 0.000) 0.788 9.703 ( -3.766 -6.524 0.000) 7.533 10.063 ( -5.259 -9.109 0.000) 10.518 10.349 ( -7.344 -12.720 0.000) 14.688 10.376 ( -2.536 -4.393 0.000) 5.072 10.458 ( 1.416 2.453 0.000) 2.832 10.711 ( -5.546 -9.606 0.000) 11.092 10.998 ( -0.672 -1.164 0.000) 1.344 11.313 ( 3.952 6.845 0.000) 7.904 11.320 ( 2.731 4.731 0.000) 5.463 11.597 ( -5.030 -8.712 0.000) 10.060 11.663 ( -6.312 -10.933 0.000) 12.624 12.033 ( -3.078 -5.332 0.000) 6.157 12.218 ( -8.953 -15.508 0.000) 17.907 12.292 ( -1.614 -2.796 0.000) 3.229 12.347 ( -0.004 -0.007 0.000) 0.008 12.480 ( -2.277 -3.943 0.000) 4.553 12.524 ( -3.508 -6.077 0.000) 7.017 12.734 ( -1.007 -1.745 0.000) 2.015 12.834 ( 0.602 1.042 0.000) 1.203 13.133 ( -1.858 -3.219 0.000) 3.717 13.145 ( -1.018 -1.764 0.000) 2.037 13.412 ( -2.159 -3.739 0.000) 4.318 13.613 ( 1.829 3.169 0.000) 3.659 13.751 ( -3.271 -5.665 0.000) 6.542 13.780 ( -3.973 -6.882 0.000) 7.947 13.893 ( -2.490 -4.312 0.000) 4.979 13.929 ( -4.613 -7.990 0.000) 9.226 14.164 ( -0.591 -1.023 0.000) 1.181 14.192 ( 2.201 3.812 0.000) 4.402 14.352 ( -0.253 -0.438 0.000) 0.506 14.542 ( -6.891 -11.935 0.000) 13.782 14.549 ( -4.515 -7.821 0.000) 9.031 14.638 ( 0.228 0.394 0.000) 0.455 14.731 ( 3.115 5.396 0.000) 6.230 14.875 ( 3.375 5.845 0.000) 6.749 15.063 ( 3.030 5.249 0.000) 6.061 15.140 ( 7.211 12.491 0.000) 14.423 15.211 ( 2.896 5.015 0.000) 5.791 15.259 ( 0.890 1.541 0.000) 1.779 15.708 ( -3.380 -5.854 0.000) 6.760 16.316 ( 6.353 11.004 0.000) 12.706 16.435 ( -0.942 -1.632 0.000) 1.884 16.438 ( 1.398 2.421 0.000) 2.795 16.834 ( -0.601 -1.041 0.000) 1.202 16.913 ( -1.217 -2.108 0.000) 2.434 17.243 ( 3.253 5.635 0.000) 6.507 17.281 ( 5.452 9.442 0.000) 10.903 17.389 ( 0.399 0.691 0.000) 0.798 17.856 ( 5.449 9.438 0.000) 10.898 18.132 ( -1.139 -1.973 0.000) 2.279 18.642 ( -0.585 -1.013 0.000) 1.170 18.830 ( -5.712 -9.893 0.000) 11.423 19.113 ( 7.993 13.845 0.000) 15.986 19.437 ( -2.829 -4.900 0.000) 5.658 19.545 ( 3.259 5.645 0.000) 6.518 19.701 ( 2.598 4.500 0.000) 5.196 20.010 ( 1.679 2.908 0.000) 3.358 20.538 ( 0.877 1.518 0.000) 1.753 23.750 ( -0.126 -0.219 0.000) 0.253 24.431 ( 1.292 2.238 0.000) 2.585 25.750 ( 0.750 1.299 0.000) 1.499 26.866 ( -6.103 -10.570 0.000) 12.206 27.232 ( 2.397 4.152 0.000) 4.795 27.243 ( 2.552 4.421 0.000) 5.104 27.773 ( 6.650 11.517 0.000) 13.299 28.976 ( -1.531 -2.651 0.000) 3.062 ======================= Grid point 13 (8/48) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 32.463 33.994 0.000) 47.004 2.747 ( 33.489 38.793 0.000) 51.249 4.120 ( 43.953 52.875 0.000) 68.757 4.619 ( 8.098 10.088 0.000) 12.937 4.641 ( 10.813 9.817 0.000) 14.604 5.334 ( 11.432 14.427 0.000) 18.407 5.347 ( 10.138 12.716 0.000) 16.263 5.911 ( -1.838 -3.559 0.000) 4.005 6.199 ( -1.677 -1.983 0.000) 2.597 6.531 ( 5.311 10.278 0.000) 11.569 7.165 ( -8.484 -15.983 0.000) 18.095 7.194 ( 3.631 2.048 0.000) 4.169 7.349 ( -4.634 -7.823 0.000) 9.092 7.524 ( -10.564 -4.204 0.000) 11.370 7.689 ( 3.055 0.612 0.000) 3.115 8.026 ( -3.913 -3.683 0.000) 5.373 8.043 ( -5.874 1.198 0.000) 5.995 8.151 ( -7.414 -0.764 0.000) 7.453 8.426 ( 5.153 -11.542 0.000) 12.641 8.442 ( 0.519 -3.885 0.000) 3.920 8.946 ( -6.790 2.034 0.000) 7.088 9.027 ( 3.935 7.896 0.000) 8.822 9.158 ( 6.918 -8.282 0.000) 10.791 9.532 ( -6.095 -1.801 0.000) 6.356 9.583 ( -4.145 -0.370 0.000) 4.161 9.884 ( -6.531 -4.881 0.000) 8.153 10.125 ( -7.490 -3.870 0.000) 8.431 10.312 ( 2.044 -6.491 0.000) 6.805 10.545 ( -4.373 -7.086 0.000) 8.327 10.597 ( 4.928 7.966 0.000) 9.367 10.892 ( -4.936 -8.940 0.000) 10.212 11.186 ( -20.168 -22.609 0.000) 30.297 11.328 ( -3.988 -5.958 0.000) 7.170 11.383 ( -6.262 -11.919 0.000) 13.464 11.470 ( 3.763 5.280 0.000) 6.484 11.886 ( -14.068 -8.904 0.000) 16.649 11.998 ( -1.133 -3.300 0.000) 3.489 12.210 ( -10.524 8.114 0.000) 13.289 12.359 ( -5.269 -0.434 0.000) 5.287 12.470 ( 1.521 -5.915 0.000) 6.108 12.485 ( 9.806 2.262 0.000) 10.064 12.676 ( -0.811 -4.561 0.000) 4.632 12.792 ( -14.301 -1.364 0.000) 14.366 12.927 ( -6.260 6.336 0.000) 8.907 13.279 ( 13.660 -10.716 0.000) 17.362 13.330 ( -1.922 -3.700 0.000) 4.169 13.591 ( -4.170 -4.656 0.000) 6.250 13.619 ( -2.374 -6.415 0.000) 6.840 13.662 ( 1.468 -7.705 0.000) 7.844 13.823 ( -1.320 -4.306 0.000) 4.504 13.863 ( -1.200 -0.009 0.000) 1.200 14.061 ( -8.645 -1.537 0.000) 8.781 14.187 ( -5.488 -1.201 0.000) 5.618 14.300 ( -3.140 -6.847 0.000) 7.533 14.378 ( 0.129 -4.418 0.000) 4.420 14.449 ( -1.506 -1.261 0.000) 1.964 14.699 ( 7.251 -5.428 0.000) 9.058 14.785 ( -4.414 8.489 0.000) 9.567 14.967 ( 2.476 1.388 0.000) 2.839 15.150 ( -1.941 9.170 0.000) 9.373 15.225 ( 1.179 0.110 0.000) 1.184 15.303 ( 2.472 8.064 0.000) 8.435 15.481 ( 4.393 -2.813 0.000) 5.216 15.582 ( 6.196 5.075 0.000) 8.009 16.361 ( -4.646 -0.180 0.000) 4.649 16.452 ( 1.841 -1.641 0.000) 2.466 16.631 ( 10.198 9.672 0.000) 14.055 16.834 ( -2.638 3.733 0.000) 4.571 16.887 ( 1.994 0.550 0.000) 2.069 17.325 ( 1.243 4.188 0.000) 4.369 17.425 ( 4.119 -0.742 0.000) 4.186 17.468 ( 5.928 6.058 0.000) 8.477 17.945 ( -0.998 -0.457 0.000) 1.097 18.152 ( -0.807 8.510 0.000) 8.548 18.467 ( -5.059 -13.937 0.000) 14.827 18.822 ( 2.480 4.462 0.000) 5.105 19.338 ( -1.243 -7.102 0.000) 7.210 19.419 ( 11.693 13.186 0.000) 17.624 19.670 ( 3.330 7.580 0.000) 8.279 19.770 ( 1.731 2.615 0.000) 3.136 20.078 ( 3.348 2.176 0.000) 3.993 20.570 ( 0.845 1.347 0.000) 1.590 23.745 ( -0.276 -0.259 0.000) 0.379 24.486 ( 2.260 2.685 0.000) 3.509 25.781 ( 1.105 1.586 0.000) 1.933 26.646 ( -7.902 -9.130 0.000) 12.075 27.332 ( 3.441 5.797 0.000) 6.742 27.352 ( 4.314 5.695 0.000) 7.144 27.994 ( 7.444 7.832 0.000) 10.806 28.909 ( -2.400 -4.055 0.000) 4.712 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( 34.047 27.520 0.000) 43.778 3.672 ( 33.852 32.997 0.000) 47.274 4.866 ( 10.017 9.505 0.000) 13.809 4.927 ( 12.035 10.757 0.000) 16.142 5.160 ( 23.784 25.674 0.000) 34.998 5.617 ( 6.272 10.194 0.000) 11.969 5.666 ( 10.298 1.840 0.000) 10.461 5.846 ( 5.562 3.527 0.000) 6.586 6.153 ( -1.132 -3.708 0.000) 3.877 6.521 ( -15.121 8.886 0.000) 17.539 6.970 ( -2.616 -6.218 0.000) 6.746 7.107 ( -12.759 -9.746 0.000) 16.055 7.136 ( -1.776 -12.342 0.000) 12.469 7.284 ( -8.661 -11.282 0.000) 14.223 7.702 ( 2.067 -1.566 0.000) 2.594 7.917 ( -0.058 -9.667 0.000) 9.667 7.952 ( -7.475 7.246 0.000) 10.411 8.157 ( 1.174 8.982 0.000) 9.059 8.428 ( 6.934 -6.206 0.000) 9.306 8.527 ( 6.124 1.337 0.000) 6.269 8.951 ( 6.714 -2.483 0.000) 7.159 9.101 ( 0.211 -11.093 0.000) 11.095 9.215 ( 4.676 8.017 0.000) 9.281 9.454 ( -6.169 -0.179 0.000) 6.172 9.529 ( -0.977 7.796 0.000) 7.857 9.757 ( -7.428 3.534 0.000) 8.225 10.071 ( 0.419 5.785 0.000) 5.800 10.261 ( -5.862 -14.192 0.000) 15.355 10.416 ( -0.475 -1.886 0.000) 1.945 10.617 ( -8.359 -10.441 0.000) 13.375 10.654 ( -4.890 -15.286 0.000) 16.049 10.837 ( -0.669 2.568 0.000) 2.653 11.031 ( -8.324 -17.253 0.000) 19.156 11.260 ( -5.259 -2.928 0.000) 6.020 11.545 ( -3.345 5.628 0.000) 6.547 11.599 ( -13.138 -1.628 0.000) 13.238 11.901 ( -7.692 -4.248 0.000) 8.787 12.036 ( -22.669 4.266 0.000) 23.066 12.186 ( -9.554 2.197 0.000) 9.804 12.399 ( -3.489 -0.260 0.000) 3.499 12.484 ( -7.935 -4.277 0.000) 9.014 12.690 ( 8.174 -3.048 0.000) 8.724 12.814 ( 15.411 5.548 0.000) 16.380 12.945 ( -0.358 1.912 0.000) 1.945 13.230 ( 0.517 -8.960 0.000) 8.974 13.421 ( 9.865 -10.221 0.000) 14.205 13.486 ( 0.902 -5.430 0.000) 5.505 13.518 ( -4.692 -5.168 0.000) 6.980 13.659 ( 2.837 -2.436 0.000) 3.739 13.776 ( -1.403 -2.044 0.000) 2.479 13.804 ( -4.114 -1.732 0.000) 4.464 13.938 ( -2.085 0.021 0.000) 2.085 14.075 ( -1.730 -8.134 0.000) 8.316 14.175 ( -3.486 -5.655 0.000) 6.643 14.332 ( -3.421 -2.579 0.000) 4.284 14.425 ( -1.809 0.524 0.000) 1.883 14.734 ( 3.567 -5.821 0.000) 6.827 14.777 ( -5.061 4.926 0.000) 7.062 14.953 ( -0.443 -4.596 0.000) 4.617 15.164 ( -4.413 7.712 0.000) 8.885 15.244 ( 0.154 1.163 0.000) 1.173 15.405 ( 0.797 8.531 0.000) 8.568 15.542 ( 6.805 3.483 0.000) 7.644 15.839 ( 8.076 7.306 0.000) 10.891 16.273 ( -4.986 -0.618 0.000) 5.024 16.463 ( 1.187 -0.256 0.000) 1.214 16.723 ( -1.256 -1.101 0.000) 1.671 16.899 ( 6.325 0.505 0.000) 6.345 17.014 ( 4.499 11.062 0.000) 11.941 17.375 ( 0.857 2.271 0.000) 2.427 17.466 ( 1.138 -0.492 0.000) 1.240 17.605 ( 3.496 5.453 0.000) 6.477 17.888 ( -0.201 -6.430 0.000) 6.434 18.177 ( -4.718 4.681 0.000) 6.646 18.304 ( -3.249 -5.036 0.000) 5.993 18.909 ( 4.032 1.072 0.000) 4.172 19.272 ( 1.857 -7.475 0.000) 7.702 19.724 ( 9.287 9.024 0.000) 12.949 19.790 ( 1.650 6.877 0.000) 7.072 19.832 ( 3.513 5.473 0.000) 6.504 20.161 ( 4.489 0.927 0.000) 4.584 20.582 ( -0.466 0.175 0.000) 0.498 23.737 ( -0.339 -0.183 0.000) 0.385 24.550 ( 2.224 2.176 0.000) 3.111 25.814 ( 0.862 1.686 0.000) 1.893 26.444 ( -6.640 -6.371 0.000) 9.202 27.450 ( 2.871 6.942 0.000) 7.512 27.489 ( 4.398 6.673 0.000) 7.991 28.159 ( 5.542 3.232 0.000) 6.416 28.821 ( -2.234 -5.487 0.000) 5.924 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.223 ( 30.272 21.438 0.000) 37.094 4.490 ( 27.363 25.209 0.000) 37.205 5.087 ( 6.582 5.105 0.000) 8.330 5.210 ( 7.973 9.125 0.000) 12.117 5.394 ( -1.311 -6.755 0.000) 6.881 5.534 ( -5.289 -7.527 0.000) 9.200 5.750 ( 2.712 4.475 0.000) 5.232 6.034 ( -10.609 -3.320 0.000) 11.116 6.197 ( 9.595 1.697 0.000) 9.744 6.445 ( -11.385 8.632 0.000) 14.288 6.761 ( -3.742 -2.809 0.000) 4.679 6.866 ( -4.843 -1.720 0.000) 5.140 6.991 ( -6.844 -2.633 0.000) 7.333 7.107 ( 0.357 -10.319 0.000) 10.325 7.768 ( -5.304 1.041 0.000) 5.405 7.836 ( 9.845 -10.054 0.000) 14.072 8.004 ( 7.044 5.193 0.000) 8.751 8.306 ( 1.250 12.979 0.000) 13.039 8.516 ( 9.650 -3.802 0.000) 10.372 8.660 ( 7.609 1.477 0.000) 7.751 8.990 ( -0.997 -7.110 0.000) 7.179 9.058 ( 4.866 -8.507 0.000) 9.800 9.125 ( -1.827 -5.729 0.000) 6.013 9.493 ( -2.060 2.435 0.000) 3.189 9.582 ( 0.561 3.734 0.000) 3.776 9.756 ( -3.331 11.829 0.000) 12.289 9.820 ( -14.677 -17.849 0.000) 23.109 10.252 ( 6.045 7.968 0.000) 10.001 10.320 ( -6.763 -4.953 0.000) 8.383 10.543 ( -0.371 -4.088 0.000) 4.105 10.591 ( 8.345 5.934 0.000) 10.240 10.787 ( -4.909 -4.901 0.000) 6.937 10.836 ( -2.855 -2.455 0.000) 3.765 11.135 ( -9.149 0.844 0.000) 9.188 11.411 ( -14.683 4.453 0.000) 15.343 11.449 ( -12.082 1.060 0.000) 12.128 11.540 ( -15.627 -0.392 0.000) 15.632 11.851 ( -2.573 -0.162 0.000) 2.578 12.161 ( -3.307 8.575 0.000) 9.190 12.312 ( -5.583 -8.298 0.000) 10.001 12.371 ( -0.845 -0.039 0.000) 0.846 12.799 ( 8.208 -4.642 0.000) 9.430 12.941 ( 0.288 0.270 0.000) 0.394 13.147 ( 1.698 -8.280 0.000) 8.452 13.159 ( 12.030 8.339 0.000) 14.637 13.352 ( -3.581 -7.341 0.000) 8.168 13.405 ( 0.241 -3.847 0.000) 3.855 13.555 ( 10.544 -9.437 0.000) 14.150 13.665 ( -1.809 1.009 0.000) 2.071 13.717 ( -1.283 -2.173 0.000) 2.524 13.781 ( 2.257 -3.340 0.000) 4.031 13.941 ( -3.590 -10.635 0.000) 11.224 13.956 ( 0.701 1.696 0.000) 1.835 14.100 ( 1.135 -3.764 0.000) 3.931 14.240 ( -1.428 -5.597 0.000) 5.776 14.385 ( -3.817 1.313 0.000) 4.036 14.675 ( -3.005 -6.491 0.000) 7.152 14.731 ( 1.174 -3.456 0.000) 3.650 14.975 ( 2.873 3.221 0.000) 4.316 15.162 ( -5.236 7.663 0.000) 9.281 15.246 ( -0.299 -0.342 0.000) 0.454 15.517 ( -2.004 14.937 0.000) 15.071 15.672 ( 4.333 1.943 0.000) 4.749 15.943 ( -2.222 4.394 0.000) 4.924 16.201 ( -2.534 0.165 0.000) 2.539 16.491 ( 0.815 1.768 0.000) 1.947 16.705 ( 3.082 -4.864 0.000) 5.758 16.988 ( 3.444 0.699 0.000) 3.514 17.182 ( 3.683 8.018 0.000) 8.823 17.386 ( -0.903 -0.831 0.000) 1.227 17.460 ( -2.389 2.906 0.000) 3.762 17.691 ( 0.966 4.399 0.000) 4.504 17.839 ( 3.385 -8.793 0.000) 9.422 18.129 ( -1.300 -1.696 0.000) 2.137 18.221 ( -5.888 2.875 0.000) 6.553 18.970 ( 3.965 -2.764 0.000) 4.833 19.250 ( 3.017 -6.024 0.000) 6.737 19.834 ( 0.284 2.618 0.000) 2.634 19.863 ( 0.703 5.477 0.000) 5.522 20.034 ( 7.376 7.736 0.000) 10.688 20.236 ( 3.497 0.271 0.000) 3.507 20.554 ( -2.028 -1.214 0.000) 2.363 23.731 ( -0.254 -0.027 0.000) 0.255 24.597 ( 1.267 1.095 0.000) 1.674 25.839 ( 0.172 1.540 0.000) 1.549 26.309 ( -3.539 -3.211 0.000) 4.778 27.550 ( 0.463 7.016 0.000) 7.031 27.613 ( 1.917 6.691 0.000) 6.960 28.245 ( 3.386 -0.643 0.000) 3.447 28.739 ( -0.397 -6.215 0.000) 6.227 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.716 ( -2.687 4.653 0.000) 5.373 4.912 ( -3.152 5.459 0.000) 6.304 5.098 ( 3.191 -5.526 0.000) 6.381 5.216 ( 2.683 -4.647 0.000) 5.366 5.360 ( 0.426 -0.738 0.000) 0.852 5.560 ( -0.859 1.488 0.000) 1.718 5.767 ( -0.634 1.098 0.000) 1.268 5.815 ( -3.106 5.381 0.000) 6.213 6.224 ( 0.673 -1.165 0.000) 1.345 6.342 ( -3.998 6.925 0.000) 7.997 6.769 ( 1.568 -2.716 0.000) 3.136 6.794 ( 3.717 -6.438 0.000) 7.434 7.006 ( -8.056 13.953 0.000) 16.112 7.038 ( 6.543 -11.332 0.000) 13.086 7.705 ( -3.541 6.133 0.000) 7.082 7.891 ( 7.592 -13.149 0.000) 15.183 8.123 ( -0.329 0.570 0.000) 0.658 8.396 ( -6.129 10.615 0.000) 12.258 8.580 ( 7.132 -12.353 0.000) 14.264 8.841 ( -0.490 0.849 0.000) 0.980 8.850 ( 3.597 -6.230 0.000) 7.194 8.960 ( 4.855 -8.409 0.000) 9.709 9.316 ( -0.825 1.429 0.000) 1.650 9.357 ( 3.713 -6.431 0.000) 7.426 9.533 ( 2.238 -3.876 0.000) 4.475 9.597 ( -0.567 0.983 0.000) 1.135 9.842 ( -7.005 12.132 0.000) 14.009 10.148 ( 3.598 -6.233 0.000) 7.197 10.432 ( -3.529 6.112 0.000) 7.058 10.539 ( 1.779 -3.081 0.000) 3.557 10.678 ( -5.291 9.165 0.000) 10.583 10.743 ( 0.993 -1.720 0.000) 1.986 10.895 ( 0.444 -0.768 0.000) 0.887 10.939 ( -5.674 9.827 0.000) 11.347 11.225 ( -8.560 14.826 0.000) 17.119 11.372 ( -3.176 5.501 0.000) 6.352 11.436 ( -0.417 0.722 0.000) 0.833 11.857 ( -0.509 0.882 0.000) 1.019 12.186 ( -4.391 7.605 0.000) 8.781 12.187 ( 3.309 -5.731 0.000) 6.617 12.365 ( 0.254 -0.440 0.000) 0.508 12.840 ( 5.393 -9.342 0.000) 10.787 12.988 ( -0.006 0.010 0.000) 0.012 13.049 ( -1.225 2.122 0.000) 2.450 13.284 ( 5.577 -9.659 0.000) 11.153 13.379 ( -0.125 0.216 0.000) 0.250 13.394 ( 0.893 -1.547 0.000) 1.786 13.611 ( 5.731 -9.927 0.000) 11.463 13.644 ( 0.783 -1.356 0.000) 1.566 13.691 ( -0.091 0.157 0.000) 0.181 13.759 ( 3.255 -5.638 0.000) 6.510 13.837 ( 2.501 -4.332 0.000) 5.002 13.961 ( -0.366 0.633 0.000) 0.731 14.116 ( 0.810 -1.403 0.000) 1.621 14.199 ( 4.502 -7.798 0.000) 9.004 14.349 ( -1.191 2.064 0.000) 2.383 14.611 ( 1.523 -2.637 0.000) 3.045 14.724 ( 2.065 -3.577 0.000) 4.131 15.037 ( 2.051 -3.552 0.000) 4.102 15.142 ( -7.986 13.831 0.000) 15.971 15.239 ( 1.068 -1.850 0.000) 2.136 15.585 ( -9.306 16.118 0.000) 18.611 15.717 ( 0.265 -0.459 0.000) 0.530 15.923 ( -2.153 3.729 0.000) 4.306 16.185 ( -0.738 1.279 0.000) 1.476 16.509 ( -1.234 2.137 0.000) 2.467 16.714 ( 4.512 -7.816 0.000) 9.025 17.022 ( 0.197 -0.340 0.000) 0.393 17.274 ( -2.810 4.867 0.000) 5.620 17.348 ( 0.638 -1.105 0.000) 1.276 17.456 ( -2.030 3.515 0.000) 4.059 17.722 ( -1.886 3.267 0.000) 3.773 17.826 ( 5.070 -8.781 0.000) 10.140 18.112 ( 1.626 -2.816 0.000) 3.251 18.179 ( -3.726 6.454 0.000) 7.452 18.989 ( 2.781 -4.816 0.000) 5.561 19.247 ( 3.009 -5.211 0.000) 6.018 19.849 ( -1.063 1.841 0.000) 2.126 19.896 ( -2.088 3.616 0.000) 4.175 20.143 ( -0.727 1.259 0.000) 1.454 20.273 ( 0.137 -0.238 0.000) 0.275 20.520 ( 0.218 -0.378 0.000) 0.436 23.728 ( -0.070 0.121 0.000) 0.140 24.613 ( -0.063 0.110 0.000) 0.127 25.848 ( -0.670 1.160 0.000) 1.339 26.264 ( 0.300 -0.519 0.000) 0.599 27.590 ( -3.217 5.573 0.000) 6.435 27.665 ( -2.777 4.810 0.000) 5.554 28.269 ( 1.589 -2.753 0.000) 3.179 28.702 ( 2.991 -5.180 0.000) 5.981 ======================= Grid point 25 (12/48) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 21.406 37.077 0.000) 42.813 3.543 ( 24.145 41.820 0.000) 48.289 4.836 ( 6.122 10.603 0.000) 12.244 4.864 ( 8.415 14.575 0.000) 16.830 5.076 ( 22.921 39.699 0.000) 45.841 5.570 ( 2.904 5.029 0.000) 5.807 5.643 ( 9.869 17.094 0.000) 19.739 5.812 ( -1.944 -3.367 0.000) 3.888 6.149 ( -1.381 -2.392 0.000) 2.762 6.796 ( 9.008 15.602 0.000) 18.015 6.826 ( -7.916 -13.711 0.000) 15.832 7.090 ( -8.088 -14.009 0.000) 16.176 7.176 ( -4.542 -7.867 0.000) 9.084 7.333 ( -7.253 -12.563 0.000) 14.506 7.660 ( -5.586 -9.675 0.000) 11.172 7.868 ( -5.765 -9.985 0.000) 11.529 8.117 ( 2.723 4.716 0.000) 5.445 8.200 ( 3.743 6.483 0.000) 7.485 8.278 ( -1.429 -2.475 0.000) 2.857 8.458 ( 2.297 3.979 0.000) 4.595 8.921 ( -1.537 -2.661 0.000) 3.073 9.001 ( -3.454 -5.983 0.000) 6.908 9.215 ( 4.673 8.094 0.000) 9.346 9.513 ( -2.560 -4.434 0.000) 5.120 9.584 ( 2.875 4.980 0.000) 5.750 9.871 ( 0.724 1.253 0.000) 1.447 10.112 ( 2.545 4.407 0.000) 5.089 10.170 ( -4.880 -8.453 0.000) 9.761 10.460 ( -0.785 -1.360 0.000) 1.570 10.583 ( -13.352 -23.126 0.000) 26.704 10.633 ( -7.808 -13.524 0.000) 15.617 10.838 ( 2.510 4.347 0.000) 5.019 11.035 ( -8.344 -14.452 0.000) 16.688 11.320 ( -2.167 -3.753 0.000) 4.334 11.595 ( 2.407 4.170 0.000) 4.815 11.706 ( -5.422 -9.390 0.000) 10.843 11.909 ( -2.893 -5.011 0.000) 5.787 12.308 ( -1.525 -2.642 0.000) 3.050 12.356 ( -1.346 -2.332 0.000) 2.693 12.488 ( 3.305 5.724 0.000) 6.609 12.518 ( 1.611 2.790 0.000) 3.222 12.591 ( -0.474 -0.820 0.000) 0.947 12.755 ( -4.551 -7.883 0.000) 9.103 12.905 ( -3.156 -5.466 0.000) 6.311 13.089 ( -2.712 -4.697 0.000) 5.423 13.230 ( -3.148 -5.453 0.000) 6.297 13.459 ( -2.792 -4.835 0.000) 5.584 13.538 ( -1.341 -2.323 0.000) 2.683 13.592 ( -0.107 -0.186 0.000) 0.214 13.775 ( -1.009 -1.748 0.000) 2.019 13.854 ( -1.367 -2.367 0.000) 2.734 13.962 ( -4.370 -7.569 0.000) 8.740 14.027 ( -4.254 -7.369 0.000) 8.509 14.177 ( -3.959 -6.858 0.000) 7.919 14.409 ( -1.349 -2.336 0.000) 2.697 14.426 ( 1.253 2.170 0.000) 2.506 14.654 ( -0.209 -0.362 0.000) 0.418 14.887 ( 1.228 2.126 0.000) 2.455 14.899 ( -4.422 -7.658 0.000) 8.843 15.215 ( -0.497 -0.862 0.000) 0.995 15.291 ( 3.915 6.780 0.000) 7.829 15.464 ( 3.219 5.576 0.000) 6.439 15.484 ( 4.271 7.397 0.000) 8.541 15.775 ( 6.746 11.684 0.000) 13.492 16.328 ( -1.728 -2.993 0.000) 3.456 16.444 ( 0.190 0.330 0.000) 0.381 16.780 ( 3.651 6.324 0.000) 7.302 16.796 ( -2.310 -4.000 0.000) 4.619 17.044 ( 5.981 10.359 0.000) 11.961 17.402 ( -0.015 -0.027 0.000) 0.031 17.410 ( 2.122 3.675 0.000) 4.243 17.606 ( 3.935 6.816 0.000) 7.870 17.879 ( -2.828 -4.898 0.000) 5.656 18.217 ( -5.942 -10.292 0.000) 11.884 18.333 ( 4.004 6.936 0.000) 8.009 18.865 ( -0.431 -0.746 0.000) 0.862 19.208 ( -2.726 -4.722 0.000) 5.452 19.685 ( 7.662 13.271 0.000) 15.324 19.816 ( 1.357 2.350 0.000) 2.714 19.842 ( 5.480 9.491 0.000) 10.959 20.115 ( 1.040 1.802 0.000) 2.081 20.588 ( 0.155 0.268 0.000) 0.309 23.739 ( -0.163 -0.282 0.000) 0.326 24.542 ( 1.615 2.798 0.000) 3.231 25.816 ( 1.115 1.931 0.000) 2.230 26.470 ( -4.879 -8.451 0.000) 9.758 27.464 ( 4.269 7.395 0.000) 8.539 27.489 ( 4.755 8.236 0.000) 9.510 28.123 ( 2.927 5.071 0.000) 5.855 28.809 ( -3.514 -6.086 0.000) 7.028 ======================= Grid point 26 (13/48) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( 24.936 28.487 0.000) 37.859 4.335 ( 24.516 33.905 0.000) 41.840 5.030 ( 6.433 7.064 0.000) 9.554 5.167 ( 9.698 13.981 0.000) 17.016 5.382 ( -9.087 -15.496 0.000) 17.964 5.546 ( 4.435 8.381 0.000) 9.482 5.802 ( -2.999 4.704 0.000) 5.579 5.999 ( 10.449 2.736 0.000) 10.801 6.167 ( 0.997 6.637 0.000) 6.711 6.654 ( -4.217 1.909 0.000) 4.629 6.767 ( -7.818 -18.635 0.000) 20.208 6.961 ( -13.480 -6.449 0.000) 14.943 7.036 ( -7.787 -9.850 0.000) 12.556 7.145 ( 4.113 16.430 0.000) 16.937 7.542 ( 6.857 -12.195 0.000) 13.991 7.753 ( 3.481 -4.807 0.000) 5.936 8.073 ( -6.851 4.952 0.000) 8.453 8.296 ( 5.981 -5.636 0.000) 8.218 8.413 ( 5.792 13.134 0.000) 14.355 8.560 ( 5.131 1.813 0.000) 5.442 8.880 ( -0.552 -9.734 0.000) 9.749 8.928 ( 3.118 -1.690 0.000) 3.546 9.160 ( -6.946 -8.648 0.000) 11.092 9.541 ( 0.385 3.500 0.000) 3.521 9.623 ( -2.793 -1.374 0.000) 3.113 9.843 ( -11.729 -20.542 0.000) 23.655 9.899 ( -0.720 7.862 0.000) 7.894 10.273 ( 1.054 9.361 0.000) 9.420 10.369 ( -3.719 -8.349 0.000) 9.140 10.422 ( 7.530 -2.145 0.000) 7.829 10.528 ( 5.709 9.367 0.000) 10.970 10.810 ( -6.208 -4.618 0.000) 7.737 10.963 ( 0.308 7.513 0.000) 7.519 11.228 ( -4.386 -0.964 0.000) 4.491 11.540 ( -5.597 -3.777 0.000) 6.752 11.607 ( -3.649 0.924 0.000) 3.764 11.802 ( -4.745 -5.030 0.000) 6.915 12.083 ( -24.081 0.376 0.000) 24.084 12.293 ( -4.234 2.491 0.000) 4.912 12.379 ( -12.063 -5.289 0.000) 13.172 12.464 ( -7.472 6.017 0.000) 9.594 12.599 ( 6.828 -6.426 0.000) 9.376 12.827 ( 15.571 -10.097 0.000) 18.558 12.957 ( 5.060 1.220 0.000) 5.205 13.039 ( 9.745 -7.700 0.000) 12.420 13.182 ( 4.805 -6.092 0.000) 7.759 13.394 ( -1.204 -4.030 0.000) 4.206 13.447 ( -9.114 -0.993 0.000) 9.168 13.637 ( 5.998 -2.864 0.000) 6.647 13.740 ( -1.966 -3.065 0.000) 3.642 13.766 ( -2.635 -2.172 0.000) 3.415 13.835 ( -1.391 -8.897 0.000) 9.005 13.968 ( -0.045 0.737 0.000) 0.738 14.040 ( -2.715 -8.297 0.000) 8.730 14.323 ( -7.019 -0.739 0.000) 7.058 14.411 ( -0.894 -4.935 0.000) 5.015 14.652 ( 1.080 -1.783 0.000) 2.085 14.748 ( -5.443 -2.526 0.000) 6.001 14.924 ( 2.550 -0.538 0.000) 2.606 15.202 ( 0.177 -0.961 0.000) 0.977 15.393 ( -2.711 10.916 0.000) 11.248 15.604 ( 3.828 8.506 0.000) 9.328 15.645 ( 5.311 8.664 0.000) 10.163 15.979 ( 4.977 7.239 0.000) 8.785 16.259 ( -3.664 -1.167 0.000) 3.846 16.455 ( 1.995 -1.163 0.000) 2.309 16.690 ( -4.623 -3.153 0.000) 5.596 16.917 ( 5.858 2.671 0.000) 6.438 17.213 ( 2.774 8.617 0.000) 9.052 17.395 ( -0.304 -0.321 0.000) 0.442 17.487 ( 2.645 2.553 0.000) 3.676 17.719 ( 2.086 5.619 0.000) 5.994 17.771 ( -3.717 -5.150 0.000) 6.352 18.078 ( -0.295 -7.176 0.000) 7.183 18.387 ( -5.688 6.331 0.000) 8.511 18.817 ( 3.611 -11.020 0.000) 11.597 19.174 ( 1.137 -1.275 0.000) 1.709 19.859 ( 0.709 3.460 0.000) 3.532 19.897 ( 3.876 7.520 0.000) 8.460 20.027 ( 3.869 11.119 0.000) 11.773 20.160 ( 4.382 -0.857 0.000) 4.465 20.572 ( -1.432 -1.363 0.000) 1.977 23.734 ( -0.188 -0.099 0.000) 0.212 24.589 ( 1.215 1.630 0.000) 2.033 25.851 ( 0.651 1.932 0.000) 2.039 26.331 ( -3.561 -4.878 0.000) 6.039 27.606 ( 2.872 8.602 0.000) 9.069 27.658 ( 3.728 10.595 0.000) 11.232 28.186 ( 2.030 -0.624 0.000) 2.123 28.682 ( -2.565 -8.733 0.000) 9.102 ======================= Grid point 27 (14/48) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.623 ( 22.463 17.925 0.000) 28.739 4.941 ( 11.834 18.771 0.000) 22.190 5.055 ( -10.346 -14.293 0.000) 17.644 5.176 ( 3.650 3.535 0.000) 5.081 5.420 ( -2.526 2.785 0.000) 3.760 5.520 ( 2.910 7.594 0.000) 8.132 5.887 ( 4.749 4.792 0.000) 6.747 5.941 ( -13.314 -2.799 0.000) 13.605 6.134 ( -4.178 -7.493 0.000) 8.579 6.585 ( 1.629 -5.773 0.000) 5.999 6.654 ( -9.945 5.509 0.000) 11.369 6.715 ( 3.669 -5.251 0.000) 6.406 6.853 ( -2.227 -10.805 0.000) 11.033 7.310 ( -6.610 19.460 0.000) 20.552 7.591 ( 12.429 -12.522 0.000) 17.643 7.803 ( -0.297 1.836 0.000) 1.860 8.113 ( 3.178 5.145 0.000) 6.047 8.294 ( 5.684 -16.753 0.000) 17.691 8.574 ( -1.901 9.948 0.000) 10.128 8.666 ( 8.494 -0.650 0.000) 8.519 8.767 ( 3.623 -13.259 0.000) 13.745 8.894 ( -5.087 -9.781 0.000) 11.024 9.137 ( 10.268 5.313 0.000) 11.561 9.391 ( -6.887 -15.053 0.000) 16.553 9.536 ( -2.273 2.795 0.000) 3.603 9.671 ( -4.078 3.406 0.000) 5.313 9.985 ( 0.575 5.702 0.000) 5.731 10.106 ( -6.369 -8.837 0.000) 10.893 10.466 ( 4.810 5.293 0.000) 7.152 10.521 ( 1.569 0.902 0.000) 1.810 10.752 ( -1.128 6.868 0.000) 6.960 10.831 ( 2.938 13.305 0.000) 13.626 10.948 ( -5.410 11.247 0.000) 12.480 11.192 ( -5.680 6.470 0.000) 8.610 11.443 ( -3.278 -2.423 0.000) 4.076 11.522 ( -8.178 4.850 0.000) 9.509 11.582 ( -16.198 5.762 0.000) 17.192 11.861 ( 0.334 0.693 0.000) 0.770 12.134 ( -7.752 -8.359 0.000) 11.400 12.254 ( -0.886 -1.077 0.000) 1.394 12.442 ( -3.730 6.791 0.000) 7.748 12.614 ( 6.613 -12.711 0.000) 14.328 12.910 ( 8.945 -12.026 0.000) 14.988 13.029 ( 7.769 -0.549 0.000) 7.789 13.203 ( 9.606 -11.352 0.000) 14.871 13.213 ( -7.796 -6.589 0.000) 10.208 13.335 ( 9.697 8.167 0.000) 12.678 13.366 ( -0.037 -2.752 0.000) 2.752 13.634 ( -4.215 -5.413 0.000) 6.860 13.706 ( 5.585 -4.979 0.000) 7.482 13.714 ( -2.407 -1.511 0.000) 2.842 13.770 ( 1.184 -3.867 0.000) 4.044 13.946 ( 1.536 -7.295 0.000) 7.455 13.963 ( 0.019 -4.735 0.000) 4.735 14.225 ( -2.966 2.307 0.000) 3.758 14.345 ( -0.643 -4.365 0.000) 4.412 14.653 ( 0.013 0.331 0.000) 0.331 14.672 ( -3.355 1.540 0.000) 3.691 14.958 ( 3.093 -3.028 0.000) 4.328 15.200 ( 1.042 -1.736 0.000) 2.024 15.423 ( -7.443 13.892 0.000) 15.760 15.705 ( 1.840 2.067 0.000) 2.767 15.827 ( 0.956 14.795 0.000) 14.826 16.029 ( -5.535 4.088 0.000) 6.881 16.212 ( -0.811 0.500 0.000) 0.953 16.502 ( 5.349 -1.976 0.000) 5.702 16.588 ( -2.121 -6.016 0.000) 6.379 17.008 ( 1.978 1.623 0.000) 2.559 17.314 ( 1.747 4.745 0.000) 5.056 17.377 ( -2.128 0.437 0.000) 2.172 17.535 ( -1.211 4.286 0.000) 4.454 17.679 ( 0.864 -6.848 0.000) 6.902 17.787 ( -0.395 4.886 0.000) 4.902 18.046 ( 2.028 -4.103 0.000) 4.577 18.313 ( -6.571 4.276 0.000) 7.839 18.797 ( 7.772 -13.751 0.000) 15.795 19.187 ( 0.892 -0.516 0.000) 1.030 19.893 ( -0.793 3.499 0.000) 3.588 19.974 ( -1.409 5.350 0.000) 5.532 20.140 ( 2.184 1.090 0.000) 2.441 20.258 ( 3.621 3.737 0.000) 5.204 20.520 ( -1.767 -2.344 0.000) 2.936 23.731 ( -0.129 0.071 0.000) 0.147 24.613 ( 0.393 0.542 0.000) 0.669 25.872 ( -0.281 1.633 0.000) 1.657 26.259 ( -1.046 -1.904 0.000) 2.172 27.708 ( -1.511 8.716 0.000) 8.846 27.791 ( -1.854 11.541 0.000) 11.689 28.193 ( 2.443 -4.654 0.000) 5.256 28.576 ( 2.033 -10.282 0.000) 10.481 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.500 ( 12.812 22.191 0.000) 25.624 4.929 ( 14.130 24.474 0.000) 28.260 5.077 ( -5.486 -9.503 0.000) 10.973 5.156 ( 3.071 5.319 0.000) 6.142 5.429 ( 6.178 10.700 0.000) 12.356 5.666 ( 1.340 2.321 0.000) 2.680 5.734 ( -4.196 -7.268 0.000) 8.392 6.044 ( 1.588 2.750 0.000) 3.175 6.257 ( -0.765 -1.325 0.000) 1.530 6.403 ( -8.984 -15.561 0.000) 17.968 6.623 ( -2.992 -5.183 0.000) 5.984 6.802 ( -6.079 -10.530 0.000) 12.158 7.011 ( 4.977 8.620 0.000) 9.953 7.234 ( -1.498 -2.595 0.000) 2.997 7.605 ( 5.946 10.299 0.000) 11.892 7.720 ( 1.699 2.943 0.000) 3.398 8.131 ( -6.817 -11.807 0.000) 13.634 8.157 ( 1.686 2.920 0.000) 3.371 8.584 ( 0.114 0.197 0.000) 0.227 8.635 ( -5.952 -10.310 0.000) 11.904 8.645 ( 5.019 8.693 0.000) 10.038 8.883 ( -5.360 -9.283 0.000) 10.719 9.092 ( 3.366 5.830 0.000) 6.732 9.365 ( -8.385 -14.523 0.000) 16.770 9.571 ( 1.735 3.005 0.000) 3.470 9.740 ( 1.617 2.800 0.000) 3.233 9.989 ( 0.399 0.691 0.000) 0.798 10.124 ( -6.479 -11.222 0.000) 12.958 10.458 ( 3.360 5.819 0.000) 6.719 10.490 ( 2.819 4.882 0.000) 5.637 10.818 ( 5.525 9.570 0.000) 11.051 10.885 ( 9.498 16.452 0.000) 18.997 11.091 ( 2.217 3.840 0.000) 4.434 11.233 ( 1.449 2.510 0.000) 2.898 11.492 ( -0.176 -0.305 0.000) 0.353 11.608 ( -0.097 -0.169 0.000) 0.195 11.716 ( -1.991 -3.449 0.000) 3.982 11.963 ( -7.848 -13.593 0.000) 15.696 12.248 ( -5.545 -9.604 0.000) 11.089 12.302 ( -4.195 -7.265 0.000) 8.389 12.369 ( -1.266 -2.193 0.000) 2.533 12.565 ( -3.774 -6.538 0.000) 7.549 12.569 ( -1.700 -2.944 0.000) 3.399 12.967 ( 1.915 3.317 0.000) 3.830 13.085 ( 3.621 6.272 0.000) 7.243 13.254 ( 5.533 9.583 0.000) 11.066 13.311 ( -2.963 -5.131 0.000) 5.925 13.464 ( -4.187 -7.253 0.000) 8.375 13.467 ( -0.973 -1.685 0.000) 1.946 13.668 ( -2.575 -4.461 0.000) 5.151 13.736 ( -1.666 -2.886 0.000) 3.332 13.736 ( -0.461 -0.799 0.000) 0.922 13.891 ( -3.294 -5.706 0.000) 6.588 13.953 ( -2.706 -4.687 0.000) 5.412 14.272 ( -1.505 -2.606 0.000) 3.010 14.321 ( -1.097 -1.900 0.000) 2.194 14.635 ( -0.435 -0.754 0.000) 0.871 14.754 ( 0.996 1.726 0.000) 1.993 14.900 ( -0.785 -1.359 0.000) 1.569 15.181 ( -0.554 -0.960 0.000) 1.109 15.581 ( 4.195 7.267 0.000) 8.391 15.699 ( 1.903 3.296 0.000) 3.806 15.871 ( 6.887 11.928 0.000) 13.773 16.112 ( 3.110 5.386 0.000) 6.219 16.216 ( -1.893 -3.278 0.000) 3.786 16.425 ( -0.642 -1.112 0.000) 1.284 16.590 ( -3.718 -6.440 0.000) 7.436 16.997 ( 2.465 4.270 0.000) 4.930 17.341 ( 2.497 4.324 0.000) 4.993 17.379 ( -0.454 -0.787 0.000) 0.909 17.538 ( 1.438 2.491 0.000) 2.876 17.686 ( -2.401 -4.159 0.000) 4.803 17.814 ( 2.489 4.311 0.000) 4.978 17.994 ( -0.684 -1.185 0.000) 1.368 18.467 ( 0.124 0.215 0.000) 0.248 18.571 ( -5.886 -10.194 0.000) 11.772 19.180 ( 0.497 0.860 0.000) 0.993 19.922 ( 1.853 3.210 0.000) 3.706 20.021 ( 2.585 4.477 0.000) 5.170 20.117 ( -0.995 -1.724 0.000) 1.990 20.240 ( 5.101 8.835 0.000) 10.202 20.525 ( -1.988 -3.443 0.000) 3.976 23.733 ( -0.021 -0.036 0.000) 0.042 24.612 ( 0.437 0.757 0.000) 0.874 25.883 ( 0.721 1.249 0.000) 1.442 26.259 ( -1.433 -2.482 0.000) 2.866 27.774 ( 4.724 8.182 0.000) 9.448 27.883 ( 6.731 11.659 0.000) 13.462 28.137 ( -2.311 -4.003 0.000) 4.622 28.492 ( -5.888 -10.199 0.000) 11.777 ======================= Grid point 38 (16/48) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.699 ( 3.114 -5.394 0.000) 6.228 5.058 ( -6.302 10.915 0.000) 12.604 5.206 ( 0.529 -0.916 0.000) 1.057 5.232 ( -5.211 9.025 0.000) 10.421 5.398 ( -0.369 0.640 0.000) 0.739 5.656 ( 3.733 -6.465 0.000) 7.466 5.869 ( -2.797 4.845 0.000) 5.595 5.946 ( -1.634 2.830 0.000) 3.268 6.143 ( -3.157 5.469 0.000) 6.315 6.321 ( 8.042 -13.929 0.000) 16.084 6.606 ( 1.459 -2.527 0.000) 2.918 6.625 ( 4.239 -7.343 0.000) 8.478 7.054 ( -11.999 20.783 0.000) 23.998 7.367 ( 6.148 -10.649 0.000) 12.297 7.650 ( -7.802 13.513 0.000) 15.604 7.810 ( 1.271 -2.201 0.000) 2.542 7.901 ( 10.151 -17.581 0.000) 20.301 8.195 ( -1.580 2.736 0.000) 3.159 8.531 ( 5.292 -9.165 0.000) 10.583 8.629 ( 0.622 -1.078 0.000) 1.245 8.725 ( 3.326 -5.762 0.000) 6.653 8.730 ( -2.546 4.411 0.000) 5.093 9.176 ( 0.709 -1.227 0.000) 1.417 9.209 ( 2.116 -3.665 0.000) 4.232 9.684 ( -5.759 9.975 0.000) 11.519 9.790 ( -3.945 6.833 0.000) 7.890 9.952 ( 3.771 -6.532 0.000) 7.543 9.974 ( 2.901 -5.025 0.000) 5.803 10.527 ( -0.784 1.358 0.000) 1.568 10.533 ( -0.243 0.421 0.000) 0.486 10.948 ( -5.538 9.591 0.000) 11.075 11.067 ( -4.861 8.419 0.000) 9.721 11.120 ( -2.288 3.963 0.000) 4.576 11.351 ( 1.193 -2.066 0.000) 2.386 11.425 ( -7.685 13.310 0.000) 15.369 11.627 ( -1.510 2.616 0.000) 3.021 11.676 ( -2.221 3.847 0.000) 4.442 11.778 ( 6.792 -11.763 0.000) 13.583 12.079 ( -2.875 4.980 0.000) 5.751 12.207 ( 2.055 -3.559 0.000) 4.109 12.388 ( 4.043 -7.002 0.000) 8.086 12.505 ( 7.954 -13.776 0.000) 15.907 12.545 ( 1.002 -1.736 0.000) 2.005 13.043 ( 0.225 -0.389 0.000) 0.450 13.165 ( -1.798 3.115 0.000) 3.596 13.191 ( -1.735 3.006 0.000) 3.471 13.333 ( 0.147 -0.254 0.000) 0.293 13.420 ( 3.978 -6.890 0.000) 7.956 13.515 ( 1.524 -2.640 0.000) 3.048 13.596 ( -0.828 1.435 0.000) 1.657 13.698 ( 0.299 -0.518 0.000) 0.598 13.729 ( 1.280 -2.217 0.000) 2.560 13.836 ( 1.589 -2.753 0.000) 3.178 13.855 ( 3.038 -5.263 0.000) 6.077 14.279 ( -1.010 1.750 0.000) 2.021 14.289 ( 0.524 -0.907 0.000) 1.048 14.626 ( 0.460 -0.797 0.000) 0.920 14.774 ( -3.075 5.325 0.000) 6.149 14.886 ( 2.351 -4.073 0.000) 4.703 15.171 ( 0.544 -0.943 0.000) 1.089 15.651 ( -4.298 7.443 0.000) 8.595 15.737 ( -0.723 1.253 0.000) 1.447 16.070 ( -4.176 7.234 0.000) 8.353 16.080 ( -1.764 3.055 0.000) 3.528 16.198 ( 1.608 -2.785 0.000) 3.216 16.434 ( 1.281 -2.219 0.000) 2.562 16.493 ( 2.240 -3.879 0.000) 4.480 17.043 ( -0.769 1.331 0.000) 1.537 17.361 ( -0.920 1.593 0.000) 1.839 17.393 ( 0.315 -0.545 0.000) 0.629 17.591 ( 0.339 -0.586 0.000) 0.677 17.610 ( -0.784 1.358 0.000) 1.568 17.870 ( -1.744 3.021 0.000) 3.488 17.995 ( 0.650 -1.126 0.000) 1.300 18.386 ( -2.298 3.980 0.000) 4.596 18.529 ( 6.645 -11.509 0.000) 13.290 19.190 ( -0.165 0.287 0.000) 0.331 19.964 ( -1.826 3.163 0.000) 3.652 20.053 ( -1.504 2.604 0.000) 3.007 20.102 ( 1.799 -3.116 0.000) 3.598 20.355 ( -2.588 4.483 0.000) 5.176 20.465 ( 1.732 -3.001 0.000) 3.465 23.733 ( -0.025 0.042 0.000) 0.049 24.619 ( -0.079 0.137 0.000) 0.158 25.896 ( -0.393 0.681 0.000) 0.786 26.235 ( 0.346 -0.600 0.000) 0.693 27.878 ( -4.675 8.097 0.000) 9.350 28.037 ( -7.131 12.351 0.000) 14.262 28.074 ( 3.933 -6.813 0.000) 7.867 28.353 ( 6.710 -11.622 0.000) 13.420 ======================= Grid point 133 (17/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.000 0.000 53.318) 53.318 1.016 ( 0.000 -0.000 53.318) 53.318 1.565 ( 0.000 -0.000 82.236) 82.236 3.718 ( 0.000 0.000 -37.208) 37.208 3.718 ( 0.000 0.000 -37.208) 37.208 5.157 ( 0.000 -0.000 20.703) 20.703 5.157 ( 0.000 -0.000 20.703) 20.703 5.731 ( -0.000 0.000 -54.844) 54.844 5.914 ( -0.000 -0.000 -5.491) 5.491 5.914 ( 0.000 0.000 -5.491) 5.491 6.382 ( 0.000 0.000 13.050) 13.050 7.539 ( 0.000 0.000 7.493) 7.493 7.539 ( -0.000 0.000 7.493) 7.493 7.728 ( -0.000 0.000 -26.258) 26.258 8.125 ( 0.000 -0.000 5.028) 5.028 8.268 ( 0.000 0.000 -11.578) 11.578 8.268 ( 0.000 0.000 -11.578) 11.578 8.280 ( 0.000 -0.000 14.988) 14.988 8.752 ( -0.000 0.000 18.739) 18.739 8.781 ( 0.000 0.000 7.807) 7.807 8.781 ( 0.000 0.000 7.807) 7.807 9.161 ( 0.000 0.000 0.844) 0.844 9.161 ( 0.000 0.000 0.844) 0.844 9.537 ( -0.000 0.000 -6.851) 6.851 9.658 ( 0.000 0.000 5.898) 5.898 10.481 ( -0.000 0.000 5.739) 5.739 10.641 ( 0.000 0.000 -11.483) 11.483 10.912 ( 0.000 0.000 0.164) 0.164 10.912 ( 0.000 0.000 0.164) 0.164 10.915 ( 0.000 -0.000 -5.034) 5.034 10.932 ( 0.000 -0.000 3.271) 3.271 10.932 ( 0.000 0.000 3.271) 3.271 11.182 ( 0.000 0.000 24.864) 24.864 11.533 ( 0.000 -0.000 -6.141) 6.141 11.533 ( -0.000 0.000 -6.141) 6.141 12.136 ( 0.000 0.000 -14.929) 14.929 12.136 ( -0.000 0.000 -14.929) 14.929 12.509 ( -0.000 -0.000 6.876) 6.876 12.509 ( 0.000 -0.000 6.876) 6.876 12.699 ( -0.000 -0.000 -0.826) 0.826 12.699 ( 0.000 0.000 -0.826) 0.826 12.805 ( 0.000 -0.000 8.738) 8.738 12.805 ( 0.000 0.000 8.738) 8.738 13.135 ( -0.000 0.000 -31.087) 31.087 13.246 ( 0.000 -0.000 -0.998) 0.998 13.246 ( 0.000 -0.000 -0.998) 0.998 13.563 ( 0.000 0.000 8.083) 8.083 13.876 ( -0.000 -0.000 -2.907) 2.907 13.876 ( 0.000 0.000 -2.907) 2.907 13.986 ( 0.000 0.000 -6.659) 6.659 13.986 ( 0.000 0.000 -6.659) 6.659 14.212 ( 0.000 0.000 -7.936) 7.936 14.279 ( 0.000 -0.000 7.853) 7.853 14.279 ( 0.000 0.000 7.853) 7.853 14.618 ( 0.000 0.000 -0.075) 0.075 14.618 ( -0.000 0.000 -0.075) 0.075 14.885 ( 0.000 -0.000 1.635) 1.635 14.885 ( 0.000 0.000 1.635) 1.635 14.918 ( 0.000 0.000 20.884) 20.884 14.993 ( 0.000 -0.000 9.664) 9.664 14.993 ( 0.000 -0.000 9.664) 9.664 15.123 ( 0.000 0.000 2.751) 2.751 15.123 ( 0.000 -0.000 2.751) 2.751 15.404 ( 0.000 0.000 3.415) 3.415 16.282 ( -0.000 0.000 -2.517) 2.517 16.296 ( -0.000 -0.000 -14.552) 14.552 16.296 ( -0.000 -0.000 -14.552) 14.552 16.338 ( 0.000 0.000 -4.775) 4.775 16.995 ( -0.000 0.000 3.794) 3.794 16.995 ( 0.000 0.000 3.794) 3.794 17.298 ( 0.000 -0.000 -4.410) 4.410 17.298 ( 0.000 0.000 -4.410) 4.410 17.693 ( 0.000 -0.000 6.425) 6.425 18.168 ( 0.000 0.000 -5.213) 5.213 18.880 ( -0.000 0.000 8.608) 8.608 18.880 ( 0.000 -0.000 8.608) 8.608 19.297 ( 0.000 -0.000 -3.371) 3.371 19.367 ( 0.000 0.000 -9.553) 9.553 19.385 ( 0.000 0.000 -4.591) 4.591 19.385 ( 0.000 -0.000 -4.591) 4.591 20.084 ( 0.000 0.000 12.822) 12.822 20.499 ( 0.000 -0.000 -1.290) 1.290 24.078 ( 0.000 -0.000 3.050) 3.050 24.354 ( 0.000 0.000 -3.599) 3.599 27.152 ( 0.000 0.000 0.022) 0.022 27.152 ( -0.000 -0.000 0.022) 0.022 27.154 ( -0.000 0.000 -0.020) 0.020 27.154 ( -0.000 0.000 -0.020) 0.020 27.454 ( 0.000 -0.000 1.425) 1.425 27.565 ( 0.000 0.000 -1.264) 1.264 ======================= Grid point 134 (18/48) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 30.236 17.457 33.063) 48.084 1.419 ( 30.653 17.698 37.876) 51.841 2.330 ( 52.529 30.328 57.865) 83.829 3.803 ( 7.010 4.047 -37.881) 38.736 3.826 ( 9.327 5.385 -35.286) 36.893 5.174 ( 4.093 2.363 15.116) 15.838 5.215 ( 5.041 2.910 19.572) 20.419 5.910 ( 0.991 0.572 -8.285) 8.363 6.027 ( 21.560 12.448 -40.689) 47.701 6.058 ( 10.429 6.021 -7.549) 14.213 6.364 ( -1.583 -0.914 11.634) 11.777 7.442 ( -6.928 -4.000 -6.956) 10.601 7.542 ( -0.509 -0.294 7.757) 7.779 7.780 ( 1.515 0.875 -10.173) 10.322 7.874 ( -9.079 -5.242 12.485) 16.303 8.150 ( -8.465 -4.887 4.035) 10.575 8.241 ( -2.501 -1.444 -2.632) 3.907 8.383 ( 0.123 0.071 -17.079) 17.080 8.627 ( -8.801 -5.081 16.892) 19.714 8.835 ( -0.157 -0.091 7.318) 7.320 8.844 ( 4.265 2.462 4.062) 6.384 9.012 ( -7.807 -4.507 1.600) 9.156 9.196 ( 0.427 0.246 -3.358) 3.394 9.603 ( -0.941 -0.543 -3.954) 4.101 9.644 ( 1.688 0.975 1.160) 2.268 10.352 ( -14.182 -8.188 4.953) 17.109 10.453 ( -1.741 -1.005 4.435) 4.870 10.589 ( -13.059 -7.540 4.501) 15.737 10.711 ( -13.273 -7.663 6.095) 16.494 10.824 ( -5.330 -3.077 -0.225) 6.159 11.065 ( 6.083 3.512 -2.794) 7.560 11.088 ( 0.214 0.123 0.804) 0.841 11.300 ( 6.933 4.003 9.464) 12.396 11.603 ( 2.134 1.232 -5.245) 5.794 11.610 ( 5.833 3.368 -4.348) 8.017 12.075 ( -5.541 -3.199 -12.527) 14.066 12.173 ( 2.136 1.233 -11.223) 11.491 12.421 ( -11.770 -6.795 -2.506) 13.820 12.438 ( -4.916 -2.838 6.114) 8.343 12.632 ( -7.306 -4.218 -2.237) 8.728 12.643 ( -6.118 -3.532 -0.886) 7.120 12.753 ( 3.049 1.760 1.621) 3.876 12.813 ( 1.897 1.095 8.332) 8.615 13.081 ( -9.818 -5.668 -4.223) 12.097 13.263 ( 1.391 0.803 -1.366) 2.109 13.369 ( 9.988 5.767 -12.517) 17.020 13.539 ( -1.970 -1.138 7.831) 8.154 13.823 ( -4.053 -2.340 -2.015) 5.095 13.840 ( -2.708 -1.564 -1.345) 3.404 13.973 ( -3.078 -1.777 -4.271) 5.557 13.986 ( -0.868 -0.501 -5.653) 5.741 14.190 ( -5.297 -3.058 1.616) 6.326 14.224 ( -4.295 -2.480 6.110) 7.870 14.260 ( 2.130 1.230 -2.993) 3.874 14.571 ( -3.754 -2.168 -2.731) 5.124 14.592 ( -1.970 -1.138 -5.969) 6.388 14.741 ( 3.449 1.991 5.072) 6.448 14.782 ( -8.480 -4.896 3.880) 10.532 14.945 ( -1.616 -0.933 10.548) 10.711 14.963 ( -0.612 -0.353 1.056) 1.270 15.111 ( 3.456 1.995 11.370) 12.050 15.152 ( 2.277 1.315 1.252) 2.912 15.236 ( 9.266 5.350 7.768) 13.221 15.646 ( 10.892 6.289 -0.319) 12.581 16.256 ( -2.088 -1.205 -4.268) 4.902 16.311 ( 1.405 0.811 -11.078) 11.196 16.355 ( 4.073 2.351 -7.941) 9.229 16.529 ( 11.711 6.761 -12.087) 18.137 16.981 ( -1.210 -0.698 4.015) 4.251 17.119 ( 8.807 5.085 1.646) 10.302 17.323 ( 2.084 1.203 -5.444) 5.952 17.340 ( 2.654 1.532 0.582) 3.119 17.760 ( 5.792 3.344 5.681) 8.775 18.152 ( -1.176 -0.679 -3.109) 3.393 18.671 ( -8.272 -4.776 7.305) 12.025 18.979 ( 7.102 4.100 6.318) 10.353 19.027 ( -13.623 -7.865 -3.041) 16.022 19.416 ( 1.499 0.866 -5.290) 5.566 19.433 ( 3.242 1.872 -5.008) 6.252 19.558 ( 6.866 3.964 -4.541) 9.136 20.107 ( 1.682 0.971 11.605) 11.766 20.508 ( 0.820 0.474 -1.340) 1.641 23.971 ( -5.349 -3.088 11.813) 13.331 24.366 ( 1.086 0.627 -3.735) 3.940 26.181 ( -23.304 -13.455 30.909) 40.981 26.986 ( -10.784 -6.226 -4.415) 13.212 27.179 ( 2.338 1.350 0.060) 2.700 27.183 ( 2.612 1.508 -0.057) 3.017 27.643 ( 12.245 7.070 5.640) 15.223 28.533 ( 23.360 13.487 -31.947) 41.811 ======================= Grid point 135 (19/48) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 41.791 24.128 11.811) 49.681 2.216 ( 38.110 22.003 23.577) 49.924 3.604 ( 57.653 33.286 38.528) 76.917 4.016 ( 11.911 6.877 -36.150) 38.677 4.117 ( 15.962 9.215 -30.077) 35.275 5.376 ( 9.099 5.254 16.751) 19.774 5.379 ( 13.088 7.557 15.316) 21.517 5.923 ( 0.620 0.358 -3.038) 3.122 6.295 ( -3.449 -1.991 7.027) 8.077 6.320 ( 11.188 6.459 -5.731) 14.133 6.627 ( 28.234 16.301 -31.407) 45.269 7.252 ( -9.698 -5.599 -14.472) 18.298 7.466 ( -6.941 -4.007 6.186) 10.124 7.629 ( -10.253 -5.920 5.095) 12.890 7.838 ( 0.007 0.004 2.929) 2.929 7.971 ( -7.809 -4.508 -1.671) 9.170 8.186 ( -1.510 -0.872 -1.375) 2.220 8.228 ( -12.586 -7.266 3.210) 14.883 8.483 ( -2.696 -1.557 -3.753) 4.877 8.647 ( -11.213 -6.474 6.324) 14.409 8.936 ( -3.104 -1.792 3.011) 4.682 8.955 ( 5.184 2.993 -0.335) 5.995 9.202 ( 1.573 0.908 -2.527) 3.112 9.476 ( -9.611 -5.549 -5.986) 12.609 9.668 ( 0.476 0.275 3.009) 3.059 10.067 ( -11.755 -6.786 3.736) 14.078 10.320 ( -12.363 -7.138 7.819) 16.277 10.430 ( -0.315 -0.182 3.689) 3.707 10.542 ( 0.837 0.483 5.387) 5.473 10.664 ( -8.288 -4.785 -2.539) 9.901 11.021 ( -4.702 -2.714 1.768) 5.710 11.164 ( 0.849 0.490 -7.093) 7.160 11.399 ( 1.510 0.872 3.301) 3.734 11.572 ( -5.973 -3.449 6.933) 9.779 11.669 ( -3.536 -2.042 -2.516) 4.796 11.878 ( -11.879 -6.858 -9.008) 16.410 12.138 ( -8.642 -4.990 -2.302) 10.241 12.162 ( -4.549 -2.626 -1.485) 5.458 12.379 ( 2.642 1.525 0.672) 3.123 12.451 ( -10.092 -5.827 1.503) 11.750 12.509 ( -4.230 -2.442 -5.357) 7.250 12.779 ( -4.878 -2.816 -5.601) 7.943 12.866 ( 2.585 1.493 9.894) 10.335 12.872 ( -4.294 -2.479 4.333) 6.585 13.298 ( 1.409 0.814 -2.881) 3.309 13.491 ( -1.695 -0.979 5.726) 6.052 13.513 ( 2.135 1.233 -8.028) 8.398 13.698 ( -5.533 -3.194 -2.296) 6.789 13.765 ( -4.011 -2.316 0.900) 4.718 13.878 ( -4.137 -2.389 -3.306) 5.809 13.936 ( -3.120 -1.801 -2.216) 4.230 14.100 ( -2.245 -1.296 -0.633) 2.668 14.105 ( -6.180 -3.568 3.910) 8.137 14.329 ( 2.992 1.728 -7.218) 8.002 14.430 ( -7.876 -4.547 -2.712) 9.490 14.505 ( -3.683 -2.126 -5.110) 6.648 14.661 ( -3.069 -1.772 1.886) 4.014 14.854 ( 3.606 2.082 -1.214) 4.337 14.963 ( 0.612 0.353 2.166) 2.278 14.965 ( 2.822 1.629 2.008) 3.828 15.163 ( -0.183 -0.106 1.009) 1.031 15.209 ( 3.591 2.073 4.620) 6.208 15.487 ( 12.700 7.332 9.740) 17.604 15.689 ( -3.742 -2.160 3.136) 5.339 16.331 ( 0.433 0.250 -7.112) 7.129 16.342 ( 5.526 3.191 -8.728) 10.812 16.521 ( 12.064 6.965 4.415) 14.613 16.693 ( 3.724 2.150 -4.349) 6.116 16.950 ( -1.053 -0.608 4.422) 4.586 17.306 ( 6.295 3.634 -3.036) 7.877 17.388 ( 1.600 0.924 6.237) 6.505 17.389 ( 4.103 2.369 -5.122) 6.977 17.913 ( 6.534 3.772 4.695) 8.886 18.123 ( -1.315 -0.759 0.563) 1.619 18.607 ( 1.321 0.762 -6.930) 7.096 18.691 ( -13.622 -7.865 -2.871) 15.989 19.235 ( 13.107 7.567 3.536) 15.542 19.417 ( -0.648 -0.374 -0.617) 0.969 19.537 ( 5.669 3.273 -3.175) 7.275 19.672 ( 3.717 2.146 -4.713) 6.374 20.154 ( 2.503 1.445 10.266) 10.665 20.534 ( 1.345 0.777 -1.524) 2.176 23.893 ( -2.005 -1.158 12.202) 12.420 24.404 ( 2.280 1.316 -4.204) 4.960 25.924 ( -4.585 -2.647 15.691) 16.560 26.734 ( -11.215 -6.475 -7.047) 14.743 27.253 ( 4.164 2.404 0.184) 4.812 27.268 ( 4.743 2.739 -0.170) 5.480 27.920 ( 11.589 6.691 7.737) 15.457 28.780 ( 3.599 2.078 -16.877) 17.381 ======================= Grid point 136 (20/48) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 38.238 22.077 15.724) 46.870 3.117 ( 41.822 24.146 4.182) 48.473 4.339 ( 16.565 9.564 -29.365) 35.045 4.507 ( 18.678 10.784 -21.639) 30.552 4.806 ( 44.638 25.772 22.964) 56.428 5.635 ( 15.380 8.879 14.315) 22.810 5.665 ( 9.205 5.315 13.138) 16.899 5.939 ( 1.158 0.669 3.541) 3.785 6.207 ( -3.600 -2.079 2.593) 4.900 6.410 ( -6.762 -3.904 -6.403) 10.098 7.082 ( -4.367 -2.521 -6.263) 8.041 7.186 ( 14.287 8.248 -9.914) 19.247 7.263 ( -6.798 -3.925 -3.589) 8.632 7.379 ( -10.863 -6.272 0.461) 12.552 7.746 ( -11.472 -6.623 -5.740) 14.437 7.780 ( -4.445 -2.566 6.998) 8.679 8.030 ( -1.810 -1.045 -0.720) 2.210 8.167 ( -1.544 -0.892 0.760) 1.939 8.453 ( -0.375 -0.216 -7.548) 7.561 8.490 ( -0.450 -0.260 4.334) 4.365 8.853 ( -2.824 -1.631 -7.742) 8.401 9.050 ( 3.208 1.852 -1.985) 4.203 9.268 ( -6.718 -3.879 0.217) 7.760 9.286 ( 4.646 2.682 -5.133) 7.424 9.648 ( -2.948 -1.702 5.585) 6.541 9.828 ( -9.014 -5.204 2.388) 10.679 10.105 ( -5.785 -3.340 7.639) 10.148 10.394 ( -5.771 -3.332 -2.223) 7.025 10.519 ( -1.586 -0.916 3.434) 3.892 10.619 ( 3.164 1.827 1.196) 3.844 10.921 ( -3.497 -2.019 4.146) 5.788 10.984 ( -16.340 -9.434 0.283) 18.870 11.332 ( -8.882 -5.128 1.424) 10.355 11.407 ( -8.855 -5.112 0.874) 10.262 11.508 ( -6.040 -3.487 1.559) 7.147 11.588 ( -10.424 -6.018 -0.315) 12.041 12.008 ( -11.062 -6.387 3.229) 13.175 12.009 ( -7.715 -4.454 -1.332) 9.008 12.228 ( -4.315 -2.491 -2.731) 5.682 12.446 ( -2.046 -1.181 -7.388) 7.757 12.541 ( 9.166 5.292 -4.346) 11.441 12.541 ( -11.907 -6.874 4.803) 14.564 12.888 ( 2.201 1.271 2.149) 3.328 12.936 ( 4.068 2.349 10.918) 11.886 13.309 ( -0.543 -0.314 -1.327) 1.468 13.463 ( -4.065 -2.347 -7.494) 8.843 13.485 ( 0.599 0.346 -1.439) 1.597 13.655 ( 0.229 0.132 -3.060) 3.072 13.656 ( -5.645 -3.259 1.649) 6.723 13.810 ( -1.522 -0.879 -5.975) 6.228 13.861 ( -3.135 -1.810 1.520) 3.927 13.959 ( -5.884 -3.397 3.422) 7.607 14.081 ( 0.183 0.106 0.183) 0.279 14.296 ( -3.871 -2.235 2.034) 4.911 14.354 ( -0.795 -0.459 -6.449) 6.514 14.497 ( 2.986 1.724 -7.035) 7.834 14.549 ( -6.984 -4.032 2.117) 8.338 14.852 ( -2.836 -1.638 -2.368) 4.042 14.970 ( -1.626 -0.939 -1.364) 2.320 15.045 ( 3.397 1.961 -6.960) 7.989 15.178 ( 1.446 0.835 2.746) 3.214 15.235 ( -0.021 -0.012 -2.979) 2.979 15.657 ( 1.490 0.860 10.435) 10.576 15.746 ( 8.954 5.170 5.058) 11.510 16.339 ( 0.529 0.306 1.040) 1.206 16.433 ( 3.572 2.063 -4.131) 5.838 16.731 ( 0.679 0.392 0.787) 1.111 16.821 ( 12.516 7.226 4.227) 15.058 16.959 ( 1.865 1.077 4.775) 5.239 17.375 ( 0.775 0.447 -9.443) 9.485 17.417 ( 1.103 0.637 6.232) 6.360 17.501 ( 4.652 2.686 -1.693) 5.632 18.015 ( 2.150 1.241 3.527) 4.313 18.096 ( -1.103 -0.637 2.898) 3.166 18.436 ( -8.871 -5.121 -1.324) 10.328 18.675 ( 3.803 2.195 -14.333) 14.990 19.404 ( -0.351 -0.203 2.590) 2.622 19.526 ( 11.115 6.417 -1.656) 12.941 19.677 ( 6.526 3.768 -0.261) 7.540 19.759 ( 5.320 3.071 -2.164) 6.513 20.216 ( 2.801 1.617 8.083) 8.706 20.557 ( 0.494 0.285 -1.897) 1.981 23.863 ( -0.923 -0.533 11.448) 11.498 24.462 ( 2.665 1.539 -5.038) 5.904 25.874 ( -0.737 -0.425 8.563) 8.605 26.498 ( -9.360 -5.404 -6.855) 12.799 27.358 ( 4.935 2.849 0.398) 5.713 27.389 ( 5.798 3.348 -0.361) 6.705 28.142 ( 7.950 4.590 7.007) 11.549 28.797 ( -1.144 -0.660 -9.592) 9.682 ======================= Grid point 137 (21/48) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.908 ( 34.606 19.980 10.380) 41.286 4.019 ( 37.640 21.732 0.825) 43.471 4.733 ( 17.466 10.084 -19.199) 27.845 4.921 ( 17.721 10.231 -13.052) 24.271 5.386 ( 7.328 4.231 7.105) 11.049 5.676 ( -6.774 -3.911 1.507) 7.966 5.963 ( -2.959 -1.709 14.463) 14.861 6.071 ( -2.249 -1.298 0.269) 2.610 6.188 ( 3.179 1.835 -4.640) 5.917 6.190 ( 10.961 6.328 6.658) 14.301 6.859 ( -12.270 -7.084 2.886) 14.460 7.010 ( -8.967 -5.177 2.857) 10.741 7.240 ( -3.764 -2.173 0.706) 4.403 7.254 ( -10.776 -6.221 8.553) 15.099 7.614 ( -1.706 -0.985 -12.326) 12.482 7.828 ( 9.096 5.251 -1.191) 10.570 8.091 ( 5.868 3.388 -1.212) 6.884 8.132 ( 0.106 0.061 5.994) 5.995 8.471 ( 2.766 1.597 -6.715) 7.436 8.616 ( 8.357 4.825 -1.051) 9.707 8.838 ( 1.351 0.780 -15.793) 15.869 9.124 ( 3.865 2.232 -3.499) 5.671 9.194 ( -1.266 -0.731 1.272) 1.938 9.332 ( -1.275 -0.736 -9.360) 9.475 9.561 ( -2.754 -1.590 7.206) 7.877 9.677 ( -4.875 -2.815 -1.329) 5.784 10.086 ( 4.588 2.649 3.113) 6.145 10.200 ( -10.743 -6.202 5.919) 13.745 10.464 ( -10.146 -5.858 -0.502) 11.727 10.601 ( -5.210 -3.008 0.171) 6.018 10.698 ( -0.389 -0.224 11.223) 11.232 10.859 ( -3.768 -2.176 2.755) 5.150 11.093 ( -8.435 -4.870 3.129) 10.230 11.126 ( -13.174 -7.606 -4.321) 15.814 11.399 ( -12.339 -7.124 3.070) 14.575 11.447 ( -0.945 -0.545 0.390) 1.159 11.658 ( -12.298 -7.100 2.093) 14.354 11.856 ( -4.564 -2.635 -2.252) 5.731 12.183 ( -4.588 -2.649 9.857) 11.191 12.380 ( -4.650 -2.685 -4.694) 7.132 12.389 ( 0.227 0.131 2.004) 2.021 12.720 ( 6.360 3.672 -6.654) 9.910 12.926 ( 0.863 0.498 -0.043) 0.997 13.072 ( 7.502 4.331 4.760) 9.884 13.257 ( -5.097 -2.943 -2.588) 6.430 13.390 ( -2.448 -1.413 -8.076) 8.557 13.443 ( -2.460 -1.420 -0.804) 2.952 13.585 ( -0.357 -0.206 0.675) 0.791 13.651 ( -0.806 -0.466 -2.068) 2.268 13.816 ( 1.813 1.047 -6.419) 6.752 13.820 ( -2.167 -1.251 4.690) 5.316 13.875 ( -0.106 -0.061 3.570) 3.572 14.096 ( 0.958 0.553 1.482) 1.850 14.203 ( -5.739 -3.313 6.443) 9.242 14.323 ( -1.789 -1.033 -4.936) 5.351 14.407 ( -3.880 -2.240 1.494) 4.722 14.596 ( 4.807 2.775 -9.742) 11.212 14.786 ( -1.677 -0.968 -8.068) 8.297 14.867 ( -6.329 -3.654 1.134) 7.395 15.083 ( -0.712 -0.411 -6.940) 6.989 15.217 ( 1.970 1.137 1.861) 2.939 15.262 ( 2.013 1.162 -4.222) 4.820 15.701 ( 1.540 0.889 5.167) 5.465 15.854 ( 0.892 0.515 -1.572) 1.879 16.357 ( 0.811 0.468 11.412) 11.450 16.520 ( 4.034 2.329 4.519) 6.490 16.773 ( 3.484 2.011 2.946) 4.986 17.010 ( 2.103 1.214 4.400) 5.026 17.050 ( 7.761 4.481 1.118) 9.031 17.364 ( -1.487 -0.858 -8.704) 8.872 17.439 ( 0.841 0.486 4.660) 4.760 17.579 ( 2.387 1.378 -3.538) 4.485 18.016 ( -1.522 -0.879 2.202) 2.817 18.076 ( -0.603 -0.348 2.327) 2.429 18.287 ( -4.635 -2.676 1.625) 5.593 18.754 ( 2.904 1.676 -16.607) 16.942 19.400 ( -0.084 -0.048 3.984) 3.985 19.671 ( 2.811 1.623 -8.310) 8.922 19.819 ( 5.729 3.307 3.651) 7.556 19.959 ( 11.071 6.392 3.131) 13.161 20.271 ( 1.940 1.120 5.150) 5.616 20.545 ( -1.744 -1.007 -2.673) 3.347 23.847 ( -0.490 -0.283 11.162) 11.176 24.515 ( 1.914 1.105 -5.980) 6.376 25.870 ( 0.143 0.082 5.404) 5.406 26.325 ( -5.896 -3.404 -5.562) 8.791 27.463 ( 4.141 2.391 0.662) 4.827 27.515 ( 5.060 2.921 -0.602) 5.873 28.275 ( 4.040 2.333 5.481) 7.198 28.754 ( -2.195 -1.267 -6.254) 6.748 ======================= Grid point 138 (22/48) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.587 ( 22.964 13.258 6.631) 27.333 4.746 ( 24.161 13.949 1.256) 27.927 5.036 ( 5.694 3.287 -7.172) 9.730 5.242 ( 0.935 0.540 -1.737) 2.045 5.387 ( 6.919 3.995 -6.137) 10.075 5.488 ( -6.220 -3.591 -0.825) 7.230 5.782 ( -9.343 -5.394 1.009) 10.836 5.819 ( -13.863 -8.004 -3.567) 16.400 6.206 ( -7.998 -4.618 -0.050) 9.236 6.286 ( 3.409 1.968 -3.153) 5.044 6.901 ( -0.446 -0.257 6.765) 6.785 6.935 ( 10.991 6.345 11.956) 17.435 7.007 ( -8.599 -4.965 10.454) 14.418 7.147 ( -4.202 -2.426 -1.435) 5.060 7.552 ( -2.393 -1.382 -6.178) 6.768 8.006 ( 4.253 2.455 -8.840) 10.112 8.161 ( 1.337 0.772 6.544) 6.724 8.240 ( 4.766 2.752 3.146) 6.339 8.608 ( 7.463 4.309 -7.043) 11.129 8.728 ( 1.219 0.704 -5.715) 5.886 8.923 ( 6.051 3.494 0.381) 6.998 9.108 ( -6.391 -3.690 0.513) 7.398 9.190 ( -0.476 -0.275 -4.918) 4.949 9.322 ( 4.081 2.356 -9.135) 10.279 9.588 ( -1.035 -0.597 -3.382) 3.587 9.601 ( 4.215 2.433 0.425) 4.885 9.860 ( -17.458 -10.079 13.290) 24.145 10.274 ( 8.394 4.846 -3.575) 10.331 10.320 ( -0.703 -0.406 2.434) 2.566 10.468 ( -1.989 -1.149 -1.675) 2.843 10.665 ( -11.820 -6.824 -3.609) 14.118 10.753 ( -1.826 -1.054 4.132) 4.639 10.928 ( 0.405 0.234 -1.865) 1.923 11.046 ( 1.727 0.997 10.109) 10.304 11.082 ( -11.225 -6.481 5.421) 14.050 11.391 ( -3.618 -2.089 -4.051) 5.819 11.519 ( -2.555 -1.475 12.747) 13.084 11.864 ( 4.094 2.364 2.403) 5.303 12.085 ( -2.621 -1.513 0.690) 3.105 12.235 ( -6.633 -3.829 -4.706) 8.989 12.435 ( 1.767 1.020 5.422) 5.794 12.849 ( 5.448 3.145 -7.207) 9.566 12.930 ( -0.200 -0.115 -0.866) 0.896 13.038 ( -7.282 -4.204 -4.520) 9.546 13.309 ( 6.862 3.962 -2.604) 8.340 13.352 ( -0.892 -0.515 -6.617) 6.697 13.436 ( 0.139 0.080 1.855) 1.862 13.594 ( 2.064 1.192 1.684) 2.918 13.632 ( -0.575 -0.332 -2.932) 3.006 13.714 ( -6.187 -3.572 2.460) 7.555 13.861 ( 1.442 0.832 -6.369) 6.583 13.946 ( 4.415 2.549 7.532) 9.095 14.058 ( -5.822 -3.362 8.790) 11.067 14.118 ( 0.789 0.456 2.275) 2.451 14.282 ( -1.427 -0.824 -3.592) 3.952 14.375 ( -0.078 -0.045 2.118) 2.120 14.651 ( 0.162 0.094 -10.631) 10.632 14.743 ( -3.562 -2.056 3.607) 5.471 14.846 ( 6.431 3.713 -12.250) 14.325 15.007 ( -5.603 -3.235 -6.707) 9.319 15.256 ( 1.112 0.642 1.213) 1.766 15.299 ( 0.930 0.537 -4.620) 4.743 15.719 ( 0.252 0.145 0.269) 0.396 15.837 ( -1.115 -0.644 -4.219) 4.411 16.368 ( 0.167 0.096 16.260) 16.261 16.594 ( 1.981 1.144 10.317) 10.568 16.861 ( 3.009 1.737 6.021) 6.951 17.037 ( 0.281 0.162 1.973) 1.999 17.175 ( 3.353 1.936 -1.529) 4.163 17.321 ( -1.823 -1.052 -6.654) 6.979 17.454 ( 0.406 0.234 3.765) 3.794 17.614 ( 0.776 0.448 -5.298) 5.373 17.976 ( -1.301 -0.751 1.600) 2.194 18.068 ( -0.149 -0.086 -0.411) 0.445 18.219 ( -1.511 -0.872 5.312) 5.591 18.798 ( 1.001 0.578 -17.132) 17.171 19.399 ( -0.018 -0.010 4.401) 4.401 19.706 ( 0.664 0.383 -9.443) 9.474 19.915 ( 2.400 1.385 6.684) 7.236 20.175 ( 6.618 3.821 5.253) 9.273 20.299 ( 0.574 0.331 2.635) 2.717 20.485 ( -2.857 -1.649 -4.803) 5.827 23.840 ( -0.159 -0.092 11.079) 11.080 24.545 ( 0.650 0.375 -6.587) 6.630 25.874 ( 0.123 0.071 4.155) 4.157 26.237 ( -1.952 -1.127 -4.578) 5.103 27.531 ( 1.650 0.953 0.863) 2.092 27.599 ( 2.085 1.204 -0.794) 2.536 28.332 ( 1.136 0.656 4.450) 4.639 28.714 ( -1.080 -0.623 -4.831) 4.990 ======================= Grid point 145 (23/48) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 23.564 40.814 15.750) 49.690 1.976 ( 20.922 36.238 26.700) 49.637 3.260 ( 33.763 58.479 42.671) 79.878 3.953 ( 6.330 10.964 -37.022) 39.127 4.018 ( 8.021 13.893 -31.817) 35.633 5.308 ( 6.797 11.773 15.285) 20.456 5.323 ( 4.645 8.046 17.161) 19.515 5.927 ( 0.136 0.236 -3.102) 3.114 6.214 ( 7.304 12.651 -11.214) 18.416 6.325 ( -1.741 -3.016 9.499) 10.117 6.479 ( 16.277 28.193 -31.337) 45.186 7.295 ( -6.211 -10.758 -13.235) 18.151 7.517 ( -2.219 -3.844 6.987) 8.278 7.731 ( -4.185 -7.249 8.365) 11.834 7.776 ( -1.781 -3.085 -0.905) 3.676 8.042 ( -3.971 -6.879 1.317) 8.051 8.148 ( -2.478 -4.291 -6.902) 8.497 8.401 ( -1.207 -2.091 -8.787) 9.113 8.425 ( -7.354 -12.738 12.887) 19.555 8.726 ( -4.196 -7.268 5.287) 9.918 8.912 ( 1.031 1.785 2.720) 3.413 9.011 ( 1.441 2.495 2.362) 3.726 9.139 ( -2.460 -4.261 -3.659) 6.131 9.583 ( -3.419 -5.921 -11.286) 13.196 9.618 ( -0.180 -0.311 7.131) 7.140 10.120 ( -7.864 -13.621 3.492) 16.111 10.418 ( -1.524 -2.640 4.037) 5.059 10.468 ( -6.434 -11.144 8.561) 15.455 10.523 ( 0.526 0.910 5.501) 5.601 10.712 ( -5.985 -10.366 -0.405) 11.976 10.993 ( -0.563 -0.975 -0.542) 1.249 11.244 ( 1.858 3.218 -6.677) 7.641 11.328 ( -0.193 -0.335 2.717) 2.744 11.622 ( -0.483 -0.837 3.261) 3.401 11.660 ( -1.980 -3.430 0.565) 4.000 11.962 ( -2.401 -4.158 -6.490) 8.073 12.106 ( -7.285 -12.618 -10.415) 17.909 12.311 ( -3.819 -6.616 2.057) 7.911 12.317 ( 0.571 0.990 -2.749) 2.977 12.534 ( -4.000 -6.928 -1.614) 8.161 12.546 ( -2.974 -5.152 2.086) 6.304 12.771 ( -1.170 -2.027 5.383) 5.869 12.811 ( 1.268 2.196 0.659) 2.621 13.112 ( -2.379 -4.121 -2.233) 5.256 13.125 ( -0.318 -0.550 -1.780) 1.890 13.486 ( -2.407 -4.168 7.246) 8.699 13.512 ( 2.547 4.411 -8.660) 10.046 13.750 ( -2.890 -5.006 -0.077) 5.781 13.774 ( -3.551 -6.151 -0.911) 7.161 13.909 ( -2.171 -3.761 0.024) 4.343 13.914 ( -2.996 -5.189 -1.471) 6.170 14.174 ( -0.190 -0.329 0.315) 0.493 14.180 ( -1.277 -2.213 0.818) 2.683 14.268 ( 0.477 0.825 -7.542) 7.602 14.448 ( -4.286 -7.424 -4.972) 9.910 14.510 ( -4.986 -8.635 -3.258) 10.490 14.671 ( -1.784 -3.090 -0.455) 3.596 14.856 ( 2.650 4.590 -0.674) 5.343 14.874 ( 1.267 2.194 7.735) 8.139 15.069 ( 1.934 3.350 -0.522) 3.904 15.155 ( 1.323 2.291 1.773) 3.185 15.280 ( 3.464 6.000 6.686) 9.628 15.297 ( 4.075 7.058 11.142) 13.805 15.713 ( -0.916 -1.587 1.060) 2.117 16.316 ( -0.524 -0.907 -12.023) 12.069 16.318 ( 4.611 7.986 -3.555) 9.883 16.448 ( 4.783 8.285 1.026) 9.621 16.683 ( 4.271 7.397 -6.363) 10.652 16.960 ( -0.900 -1.560 4.575) 4.917 17.258 ( 4.402 7.625 0.248) 8.808 17.336 ( 0.538 0.932 -5.363) 5.470 17.403 ( 2.275 3.940 4.530) 6.420 17.880 ( 4.318 7.479 3.131) 9.186 18.137 ( -0.172 -0.298 -0.483) 0.593 18.584 ( -2.175 -3.767 -2.393) 4.965 18.786 ( -7.229 -12.520 -3.814) 14.952 19.159 ( 7.277 12.604 4.734) 15.304 19.411 ( -0.969 -1.678 -1.494) 2.446 19.510 ( 3.532 6.118 -3.626) 7.941 19.652 ( 2.543 4.404 -5.046) 7.164 20.135 ( 1.063 1.841 10.719) 10.928 20.527 ( 0.804 1.393 -1.495) 2.196 23.907 ( -1.503 -2.603 12.447) 12.805 24.392 ( 1.169 2.025 -4.046) 4.673 25.959 ( -4.028 -6.977 18.847) 20.497 26.801 ( -6.554 -11.351 -6.683) 14.713 27.233 ( 2.412 4.177 0.114) 4.825 27.242 ( 2.537 4.394 -0.114) 5.075 27.846 ( 6.946 12.030 7.528) 15.800 28.748 ( 3.505 6.071 -20.076) 21.265 ======================= Grid point 146 (24/48) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 29.770 31.439 17.779) 46.806 2.789 ( 31.921 37.215 7.057) 49.535 4.222 ( 11.178 14.223 -31.908) 36.680 4.342 ( 14.148 14.436 -24.238) 31.560 4.430 ( 39.109 46.313 27.707) 66.649 5.518 ( 8.441 8.813 12.940) 17.787 5.592 ( 10.098 13.407 16.326) 23.415 5.917 ( -0.322 -2.109 -0.279) 2.152 6.243 ( -3.903 -3.274 5.604) 7.573 6.471 ( 5.834 10.588 -5.767) 13.393 7.001 ( 8.549 10.129 -18.742) 22.955 7.069 ( 1.356 -6.005 -11.870) 13.371 7.371 ( -8.338 -6.733 3.328) 11.222 7.549 ( -10.686 -0.517 0.295) 10.703 7.711 ( 0.981 -10.957 2.554) 11.293 7.888 ( -8.352 -4.245 -0.970) 9.419 8.036 ( -3.149 -9.089 -1.560) 9.745 8.217 ( -3.150 -2.637 -1.890) 4.522 8.328 ( -2.429 -6.994 -0.726) 7.439 8.622 ( -3.060 -0.163 7.008) 7.649 8.906 ( -6.721 0.344 -3.180) 7.443 9.011 ( 2.290 1.504 -3.499) 4.444 9.126 ( 6.191 -8.283 -2.421) 10.620 9.436 ( -8.715 2.861 -3.681) 9.884 9.614 ( 2.224 -6.878 1.940) 7.484 9.882 ( -6.351 -7.976 -0.104) 10.196 10.266 ( -9.320 0.099 10.766) 14.240 10.373 ( 0.478 -4.308 5.753) 7.203 10.542 ( -4.211 -5.369 -0.563) 6.846 10.624 ( 3.284 6.215 2.380) 7.421 10.911 ( -2.826 -8.782 1.574) 9.359 11.104 ( -13.141 -12.986 -5.349) 19.234 11.285 ( -1.357 -13.687 -1.202) 13.807 11.495 ( -8.529 -4.457 6.634) 11.688 11.536 ( -2.278 -1.886 6.256) 6.919 11.829 ( -11.897 -1.896 -5.888) 13.409 11.974 ( 1.830 -6.469 -1.521) 6.893 12.223 ( -4.588 4.889 0.040) 6.705 12.326 ( -11.222 -1.673 -5.544) 12.628 12.434 ( 5.783 2.616 1.959) 6.643 12.479 ( -1.476 -2.759 -3.142) 4.434 12.723 ( -6.342 -2.840 0.419) 6.962 12.783 ( -2.310 -2.479 2.711) 4.339 12.970 ( -3.744 2.386 4.103) 6.045 13.224 ( 8.705 -6.930 -3.369) 11.626 13.391 ( -0.715 -7.214 4.479) 8.522 13.518 ( -2.956 -2.987 -5.043) 6.564 13.622 ( -2.885 -4.731 -1.651) 5.782 13.671 ( -0.401 -7.309 0.982) 7.386 13.837 ( -2.439 -0.623 0.714) 2.617 13.860 ( -1.143 -2.230 0.258) 2.520 14.066 ( -8.582 -2.354 0.775) 8.933 14.149 ( -2.368 -0.917 -3.403) 4.246 14.274 ( -1.355 -5.972 -2.786) 6.728 14.324 ( -0.215 -4.057 -7.286) 8.342 14.376 ( -0.512 -4.924 -3.006) 5.792 14.680 ( 3.644 -2.014 -2.300) 4.756 14.848 ( -6.601 6.272 4.010) 9.949 14.987 ( 4.854 0.470 -0.812) 4.944 15.108 ( -3.495 3.725 -4.263) 6.653 15.167 ( 1.409 0.912 -1.572) 2.300 15.283 ( -4.623 5.596 -0.282) 7.264 15.513 ( 10.889 -2.276 6.516) 12.892 15.741 ( 4.182 8.559 12.622) 15.813 16.286 ( 0.127 -3.446 -9.037) 9.672 16.442 ( 2.259 5.040 -2.224) 5.954 16.680 ( 9.239 8.151 4.152) 13.001 16.803 ( 0.402 9.003 0.093) 9.013 16.938 ( 1.422 -0.877 5.255) 5.514 17.354 ( 1.424 0.656 -6.101) 6.299 17.374 ( 3.229 0.780 1.522) 3.654 17.500 ( 2.768 6.618 2.320) 7.539 17.970 ( 1.138 -0.184 3.035) 3.246 18.164 ( -0.558 6.133 0.377) 6.170 18.441 ( -4.010 -12.660 -2.359) 13.488 18.672 ( -0.572 1.247 -11.542) 11.623 19.373 ( 0.184 -2.886 2.960) 4.138 19.441 ( 10.116 12.330 2.293) 16.113 19.650 ( 4.380 7.984 -2.183) 9.364 19.723 ( 2.417 2.629 -4.846) 6.020 20.178 ( 2.333 0.870 9.083) 9.418 20.554 ( 0.704 1.127 -1.825) 2.258 23.871 ( -0.881 -0.979 11.641) 11.715 24.442 ( 1.994 2.378 -4.710) 5.640 25.885 ( -1.144 -1.085 10.387) 10.506 26.577 ( -7.732 -8.928 -7.134) 13.798 27.334 ( 3.536 5.780 0.204) 6.779 27.350 ( 4.235 5.701 -0.198) 7.105 28.066 ( 7.101 7.406 7.422) 12.663 28.791 ( -0.014 -1.238 -11.474) 11.541 ======================= Grid point 147 (25/48) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( 32.107 25.813 12.242) 42.977 3.683 ( 32.819 32.479 2.483) 46.240 4.587 ( 14.076 15.469 -23.555) 31.500 4.727 ( 16.662 11.299 -17.785) 26.863 5.307 ( 16.375 22.151 14.431) 31.098 5.725 ( -0.256 -0.607 4.618) 4.664 5.828 ( 9.278 0.418 11.631) 14.884 5.941 ( 10.636 7.294 10.794) 16.818 6.147 ( -3.576 -1.937 0.914) 4.169 6.472 ( -13.270 10.676 -4.331) 17.573 6.963 ( 0.387 -6.089 -2.001) 6.421 7.091 ( -8.940 -11.130 -0.398) 14.282 7.165 ( -3.117 -5.080 3.187) 6.759 7.370 ( -10.050 -9.939 7.598) 16.047 7.663 ( -1.954 2.717 -14.779) 15.153 7.767 ( 2.032 0.189 2.750) 3.424 7.990 ( 3.796 -2.848 -0.530) 4.775 8.198 ( -1.495 4.159 -0.077) 4.421 8.284 ( 7.800 -6.257 -7.218) 12.332 8.617 ( 1.917 1.024 -0.180) 2.181 8.807 ( -2.183 -0.543 -9.008) 9.285 9.079 ( 3.594 -1.820 -3.761) 5.511 9.158 ( 3.320 -2.933 -2.147) 4.923 9.335 ( -3.294 -1.400 -4.706) 5.912 9.576 ( -1.753 -3.189 -1.178) 3.825 9.762 ( -4.176 1.611 -1.970) 4.890 10.174 ( -5.651 7.246 8.820) 12.737 10.301 ( -6.022 -5.338 4.985) 9.466 10.483 ( -0.994 -3.096 5.266) 6.189 10.599 ( -4.974 -8.924 -0.218) 10.219 10.721 ( -3.060 -14.698 5.520) 15.996 10.863 ( -1.837 1.722 2.320) 3.424 11.054 ( -7.023 -14.110 3.329) 16.109 11.308 ( -6.224 -3.288 3.044) 7.669 11.529 ( -5.072 3.818 -0.518) 6.370 11.615 ( -12.314 1.361 -0.290) 12.392 11.879 ( -7.643 -4.845 -0.753) 9.081 12.013 ( -21.602 2.382 -2.231) 21.848 12.247 ( -2.334 4.543 4.260) 6.651 12.403 ( -3.096 -1.890 -1.291) 3.850 12.470 ( -10.973 -2.158 1.069) 11.234 12.620 ( 8.187 1.987 -4.688) 9.642 12.844 ( 7.683 -3.447 1.152) 8.500 12.989 ( 4.434 0.503 4.313) 6.206 13.224 ( 1.312 -8.170 -0.884) 8.322 13.373 ( 2.880 -8.230 -3.342) 9.338 13.428 ( 0.285 -4.099 -4.618) 6.182 13.554 ( -0.967 -4.256 0.685) 4.418 13.628 ( 2.392 -5.398 -2.009) 6.236 13.784 ( -4.466 -0.171 -2.433) 5.089 13.825 ( -0.377 -1.047 5.250) 5.366 13.933 ( -3.176 -0.551 0.156) 3.227 14.084 ( -0.058 -7.887 0.766) 7.924 14.173 ( -1.495 -5.923 -1.441) 6.276 14.294 ( 0.069 -5.189 -2.798) 5.895 14.356 ( -0.542 -1.110 -6.091) 6.215 14.687 ( -2.066 0.001 -4.785) 5.212 14.801 ( -3.455 3.527 2.626) 5.593 14.967 ( -5.220 -1.410 -1.795) 5.698 15.089 ( 1.208 0.032 -6.504) 6.616 15.204 ( -2.344 4.956 -0.928) 5.561 15.321 ( 1.686 7.738 -4.093) 8.915 15.637 ( 5.895 -0.264 5.986) 8.405 15.902 ( 0.360 8.791 5.213) 10.226 16.282 ( 4.571 -3.763 0.432) 5.936 16.518 ( 1.748 4.317 5.211) 6.989 16.778 ( -1.625 3.475 4.465) 5.887 16.921 ( 6.097 2.206 2.477) 6.941 17.037 ( 4.873 7.239 3.358) 9.350 17.367 ( 0.359 -0.818 -7.426) 7.480 17.422 ( 1.553 0.663 1.186) 2.063 17.595 ( 0.731 5.949 -0.739) 6.039 17.947 ( 0.329 -5.328 5.371) 7.573 18.178 ( -3.740 3.541 -0.252) 5.157 18.296 ( -2.254 -5.901 -0.600) 6.345 18.704 ( 3.100 -0.724 -16.074) 16.386 19.358 ( 1.741 -3.482 5.739) 6.935 19.678 ( 2.861 8.089 -4.686) 9.776 19.790 ( 4.286 6.636 0.488) 7.914 19.849 ( 8.657 6.984 0.790) 11.151 20.227 ( 3.126 -0.444 6.416) 7.151 20.561 ( -0.781 -0.129 -2.352) 2.481 23.853 ( -0.555 -0.425 11.218) 11.240 24.497 ( 1.889 1.873 -5.613) 6.212 25.875 ( -0.163 0.569 6.257) 6.285 26.384 ( -6.156 -5.867 -6.066) 10.446 27.454 ( 3.032 6.904 0.401) 7.551 27.486 ( 4.261 6.692 -0.375) 7.942 28.217 ( 4.991 2.609 6.001) 8.229 28.750 ( -1.105 -4.265 -7.180) 8.424 ======================= Grid point 148 (26/48) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.300 ( 28.823 19.932 7.707) 35.881 4.488 ( 27.597 25.044 0.141) 37.267 4.942 ( 11.064 9.822 -12.282) 19.228 5.115 ( 16.370 10.185 -9.826) 21.639 5.406 ( -8.326 -6.043 3.168) 10.764 5.560 ( -7.194 -6.129 1.166) 9.522 5.828 ( -2.956 -2.871 5.189) 6.626 6.025 ( -11.250 -3.510 -0.406) 11.792 6.209 ( 4.692 1.409 0.886) 4.979 6.427 ( -11.926 7.851 -2.456) 14.488 6.816 ( 2.008 -4.037 5.312) 6.968 6.934 ( -2.480 1.258 6.447) 7.021 7.081 ( -6.208 -7.414 7.767) 12.404 7.137 ( -2.148 -4.922 5.155) 7.444 7.629 ( -3.733 1.173 -8.478) 9.338 7.901 ( 9.776 -3.003 -1.564) 10.346 8.030 ( 5.421 -0.106 5.491) 7.717 8.294 ( 2.613 9.308 -1.427) 9.772 8.425 ( 11.573 -1.930 -7.138) 13.733 8.685 ( 5.359 -2.359 -7.600) 9.594 8.825 ( 3.638 -0.267 -3.846) 5.301 9.080 ( -2.397 -10.932 -2.734) 11.521 9.106 ( 5.625 -5.247 -2.316) 8.033 9.348 ( -0.572 2.595 -6.904) 7.398 9.471 ( -2.645 -7.353 -6.485) 10.155 9.770 ( -2.444 11.767 -3.840) 12.616 10.011 ( -12.062 -13.182 14.634) 23.096 10.237 ( -1.352 1.458 0.168) 1.995 10.350 ( -2.265 6.795 2.646) 7.635 10.582 ( -2.620 -0.394 2.223) 3.458 10.658 ( 3.012 -0.285 4.739) 5.622 10.815 ( -4.020 2.381 3.807) 6.027 10.888 ( -1.199 -5.554 5.441) 7.867 11.199 ( -8.337 2.570 3.535) 9.413 11.347 ( -19.152 3.379 -0.843) 19.466 11.460 ( -8.128 0.301 -0.885) 8.182 11.624 ( -11.456 1.177 5.672) 12.837 11.855 ( -0.558 1.562 0.351) 1.695 12.182 ( -7.159 3.065 2.839) 8.288 12.290 ( -6.553 -6.496 -1.859) 9.412 12.405 ( 1.505 1.103 3.538) 4.000 12.762 ( 7.715 -0.665 -4.383) 8.898 12.871 ( 2.168 -4.414 -4.488) 6.658 13.122 ( -3.604 -3.537 -2.211) 5.512 13.182 ( 10.420 0.912 -0.264) 10.463 13.288 ( 0.168 -6.373 -5.199) 8.226 13.421 ( 1.169 -3.471 0.208) 3.668 13.549 ( 6.153 -6.184 0.960) 8.776 13.619 ( 0.391 -3.396 -3.226) 4.700 13.730 ( 0.266 -3.246 -1.545) 3.604 13.805 ( -0.200 -1.625 3.695) 4.042 13.919 ( -0.911 -0.695 -0.448) 1.231 14.003 ( 2.310 -10.634 3.206) 11.344 14.128 ( 1.511 -2.492 1.474) 3.265 14.236 ( 0.183 -5.859 0.073) 5.862 14.311 ( -2.249 -2.602 -5.796) 6.740 14.653 ( -0.436 -1.152 -5.937) 6.063 14.759 ( -3.481 -1.465 6.150) 7.217 14.927 ( -2.241 7.897 -8.013) 11.472 15.109 ( 0.094 1.252 -5.523) 5.664 15.185 ( -3.845 2.485 -0.968) 4.680 15.437 ( -0.569 12.271 -5.549) 13.479 15.703 ( 1.865 0.232 1.792) 2.597 15.900 ( -5.224 2.897 -4.038) 7.210 16.347 ( 3.602 -0.215 12.978) 13.471 16.590 ( 2.025 3.703 9.247) 10.165 16.792 ( 2.145 -1.298 7.800) 8.193 17.017 ( 2.994 1.890 2.111) 4.122 17.173 ( 2.793 6.147 -0.130) 6.753 17.350 ( -1.556 -0.558 -6.858) 7.055 17.442 ( 0.389 0.498 0.164) 0.653 17.643 ( -0.765 4.548 -3.114) 5.564 17.898 ( 1.356 -6.954 5.078) 8.717 18.150 ( -1.415 1.104 0.576) 1.885 18.216 ( -3.212 -1.677 0.496) 3.658 18.745 ( 3.769 -3.319 -17.022) 17.747 19.359 ( 2.008 -3.107 6.500) 7.479 19.737 ( -0.999 4.484 -7.952) 9.183 19.913 ( 2.209 5.792 4.807) 7.844 20.083 ( 9.038 6.126 3.160) 11.367 20.269 ( 2.675 -1.080 3.103) 4.237 20.520 ( -2.932 -1.627 -3.448) 4.810 23.843 ( -0.311 -0.130 11.067) 11.072 24.536 ( 1.040 0.915 -6.388) 6.536 25.881 ( -0.193 1.031 4.364) 4.488 26.262 ( -3.201 -2.814 -4.811) 6.427 27.556 ( 0.612 6.972 0.642) 7.028 27.607 ( 1.787 6.713 -0.599) 6.973 28.290 ( 3.060 -1.123 4.629) 5.661 28.689 ( 0.043 -5.596 -5.072) 7.552 ======================= Grid point 149 (27/48) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.770 ( -2.012 3.484 5.608) 6.902 4.968 ( -3.385 5.864 4.844) 8.325 5.020 ( 2.232 -3.865 -5.603) 7.163 5.195 ( 0.700 -1.212 -7.721) 7.847 5.313 ( 3.527 -6.109 2.302) 7.420 5.588 ( -2.270 3.932 0.523) 4.570 5.693 ( -0.630 1.092 -6.059) 6.188 5.795 ( -3.717 6.439 -3.115) 8.061 6.205 ( 0.374 -0.647 -0.662) 0.998 6.346 ( -4.637 8.031 -0.884) 9.316 6.834 ( 4.391 -7.606 3.678) 9.522 6.912 ( 0.991 -1.717 13.924) 14.064 7.016 ( 4.715 -8.166 -1.669) 9.576 7.110 ( -5.014 8.684 9.581) 13.868 7.594 ( -2.320 4.019 -6.746) 8.188 7.966 ( 4.784 -8.287 -1.268) 9.652 8.106 ( 0.258 -0.447 3.030) 3.073 8.382 ( -4.293 7.436 -1.462) 8.710 8.532 ( 5.776 -10.005 -5.511) 12.800 8.736 ( 1.933 -3.348 -8.689) 9.510 8.846 ( 5.628 -9.748 -0.321) 11.260 8.977 ( 3.964 -6.866 0.210) 7.932 9.204 ( 0.661 -1.145 -8.177) 8.283 9.280 ( 3.997 -6.922 -11.223) 13.778 9.467 ( 2.088 -3.616 2.197) 4.719 9.735 ( -1.164 2.017 11.486) 11.720 9.860 ( -7.461 12.922 -1.168) 14.967 10.177 ( 3.710 -6.427 1.459) 7.563 10.465 ( -6.335 10.973 3.409) 13.121 10.548 ( -0.694 1.201 0.558) 1.495 10.672 ( -6.651 11.520 -0.917) 13.333 10.762 ( -0.123 0.212 1.500) 1.520 10.934 ( 1.319 -2.285 4.432) 5.158 11.049 ( -5.321 9.216 7.137) 12.813 11.194 ( -6.364 11.023 3.639) 13.238 11.382 ( -0.659 1.142 -5.741) 5.890 11.540 ( -2.038 3.530 12.616) 13.259 11.912 ( -0.800 1.385 5.478) 5.706 12.140 ( -3.450 5.976 -3.182) 7.598 12.146 ( 2.451 -4.246 -4.427) 6.606 12.430 ( 0.458 -0.794 5.530) 5.606 12.819 ( 5.395 -9.344 -1.623) 10.911 12.908 ( -0.625 1.082 -7.788) 7.888 13.006 ( -0.605 1.049 -4.271) 4.440 13.247 ( 4.233 -7.331 -3.423) 9.131 13.358 ( 0.769 -1.332 -3.019) 3.388 13.402 ( 1.486 -2.574 -0.243) 2.982 13.583 ( 1.042 -1.804 -2.494) 3.250 13.593 ( 5.922 -10.258 1.748) 11.973 13.691 ( -1.861 3.224 -1.352) 3.961 13.834 ( 2.042 -3.537 -2.794) 4.949 13.859 ( 6.751 -11.693 7.253) 15.327 13.977 ( 0.584 -1.011 2.960) 3.182 14.150 ( 0.430 -0.745 2.860) 2.986 14.209 ( 4.420 -7.656 0.955) 8.891 14.263 ( 1.006 -1.742 -6.511) 6.815 14.649 ( 0.898 -1.556 -6.457) 6.702 14.709 ( -0.932 1.615 8.160) 8.370 14.970 ( -2.173 3.763 -12.024) 12.785 15.112 ( -7.501 12.993 -3.218) 15.344 15.154 ( 2.831 -4.904 -1.360) 5.824 15.503 ( -7.458 12.918 -6.344) 16.210 15.715 ( 0.171 -0.296 -0.140) 0.369 15.857 ( -1.287 2.228 -5.536) 6.105 16.375 ( -0.188 0.325 16.267) 16.271 16.633 ( -1.460 2.529 11.322) 11.692 16.807 ( 3.491 -6.046 8.492) 10.993 17.053 ( -0.965 1.672 2.562) 3.208 17.236 ( -1.754 3.038 -3.871) 5.224 17.322 ( -0.515 0.892 -4.247) 4.370 17.448 ( -0.030 0.051 -0.415) 0.420 17.660 ( -2.112 3.658 -4.312) 6.036 17.872 ( 3.668 -6.354 4.494) 8.604 18.153 ( -3.153 5.461 -2.721) 6.868 18.169 ( 2.338 -4.049 4.879) 6.758 18.761 ( 2.720 -4.712 -17.119) 17.963 19.361 ( 1.731 -2.999 6.564) 7.421 19.750 ( -2.095 3.629 -8.368) 9.359 19.962 ( -1.821 3.154 6.667) 7.597 20.203 ( 0.596 -1.033 4.727) 4.875 20.296 ( 0.326 -0.565 1.865) 1.976 20.466 ( 0.043 -0.075 -5.565) 5.566 23.840 ( -0.042 0.072 11.028) 11.028 24.549 ( -0.055 0.095 -6.684) 6.685 25.885 ( -0.563 0.974 3.815) 3.978 26.222 ( 0.222 -0.384 -4.295) 4.318 27.597 ( -3.168 5.487 0.762) 6.381 27.658 ( -2.813 4.872 -0.715) 5.671 28.309 ( 1.715 -2.970 4.086) 5.334 28.659 ( 2.847 -4.931 -4.406) 7.200 ======================= Grid point 158 (28/48) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 20.039 34.709 13.400) 42.259 3.561 ( 23.552 40.793 3.194) 47.212 4.554 ( 11.190 19.381 -25.250) 33.740 4.625 ( 8.605 14.904 -19.389) 25.925 5.277 ( 20.087 34.792 19.334) 44.585 5.673 ( 2.199 3.809 7.368) 8.581 5.818 ( -3.723 -6.448 0.583) 7.468 5.864 ( 7.835 13.571 15.389) 21.964 6.180 ( -1.306 -2.262 4.362) 5.084 6.745 ( 8.624 14.937 -4.094) 17.727 6.785 ( -5.696 -9.865 -5.298) 12.563 7.090 ( -5.255 -9.103 -0.901) 10.549 7.226 ( -4.386 -7.596 4.365) 9.798 7.419 ( -7.659 -13.266 8.656) 17.595 7.658 ( -2.099 -3.636 -6.412) 7.664 7.805 ( -6.091 -10.550 -4.724) 13.067 7.895 ( 5.734 9.932 -6.372) 13.120 8.160 ( -0.427 -0.739 -6.358) 6.415 8.282 ( 0.069 0.120 0.956) 0.966 8.568 ( -2.394 -4.147 -1.912) 5.156 8.925 ( -1.599 -2.769 1.785) 3.662 8.938 ( -1.531 -2.652 -1.614) 3.462 9.115 ( 2.736 4.739 -10.970) 12.259 9.378 ( -5.204 -9.014 -4.118) 11.193 9.566 ( 1.828 3.166 -4.001) 5.420 9.814 ( -0.139 -0.241 -6.484) 6.490 10.281 ( -4.058 -7.029 10.252) 13.076 10.303 ( 2.153 3.730 14.037) 14.683 10.502 ( 0.943 1.633 3.732) 4.181 10.583 ( -10.677 -18.494 -0.487) 21.360 10.655 ( -7.053 -12.216 3.031) 14.428 10.881 ( 1.982 3.433 3.614) 5.364 11.048 ( -6.469 -11.205 3.045) 13.292 11.369 ( -4.082 -7.071 2.951) 8.682 11.582 ( 1.264 2.189 -1.189) 2.793 11.777 ( -3.045 -5.275 6.915) 9.215 11.835 ( -3.041 -5.266 -7.079) 9.332 12.292 ( 0.102 0.176 -1.005) 1.025 12.345 ( -1.928 -3.339 -2.108) 4.394 12.452 ( 1.446 2.505 -4.903) 5.693 12.508 ( 3.109 5.385 2.007) 6.534 12.647 ( -1.676 -2.902 3.896) 5.139 12.741 ( -3.761 -6.514 -1.108) 7.603 12.892 ( -3.457 -5.987 -2.117) 7.230 13.097 ( -2.949 -5.108 1.251) 6.029 13.242 ( -3.623 -6.275 2.516) 7.670 13.460 ( -1.321 -2.288 -1.300) 2.945 13.539 ( -2.174 -3.766 -1.041) 4.471 13.550 ( -2.330 -4.035 -2.057) 5.093 13.821 ( -0.548 -0.950 4.259) 4.398 13.850 ( -0.349 -0.605 -1.102) 1.304 13.971 ( -4.444 -7.696 1.342) 8.988 13.999 ( -4.187 -7.253 -1.905) 8.589 14.168 ( -3.426 -5.934 -1.104) 6.940 14.307 ( -0.536 -0.929 -8.419) 8.487 14.337 ( -0.310 -0.537 -8.336) 8.359 14.662 ( -0.009 -0.016 -0.655) 0.655 14.918 ( -2.758 -4.776 3.156) 6.354 14.976 ( 1.214 2.102 7.273) 7.668 15.075 ( -0.941 -1.629 -11.485) 11.638 15.269 ( 3.883 6.726 -2.295) 8.098 15.368 ( 2.241 3.881 -7.704) 8.913 15.550 ( 3.134 5.429 6.827) 9.268 15.950 ( 6.535 11.318 15.401) 20.199 16.213 ( -2.121 -3.674 -10.553) 11.374 16.521 ( 1.750 3.031 5.494) 6.514 16.831 ( 4.325 7.492 3.192) 9.221 16.885 ( -1.319 -2.284 8.008) 8.431 17.016 ( 5.528 9.575 -0.488) 11.066 17.358 ( 0.049 0.085 -4.686) 4.687 17.405 ( 1.174 2.033 -1.291) 2.679 17.628 ( 3.449 5.974 1.175) 6.997 17.924 ( -2.077 -3.597 4.780) 6.332 18.211 ( -5.505 -9.534 0.051) 11.009 18.300 ( 3.083 5.340 -3.570) 7.125 18.663 ( -1.278 -2.214 -15.173) 15.387 19.320 ( -1.046 -1.811 7.813) 8.088 19.701 ( 7.498 12.988 1.591) 15.081 19.769 ( 1.416 2.453 -5.324) 6.031 19.829 ( 5.709 9.889 -1.352) 11.498 20.190 ( 0.275 0.476 7.389) 7.410 20.567 ( -0.027 -0.046 -2.359) 2.360 23.856 ( -0.358 -0.619 11.237) 11.260 24.490 ( 1.391 2.410 -5.467) 6.134 25.880 ( 0.240 0.417 6.587) 6.604 26.409 ( -4.527 -7.841 -6.234) 10.992 27.467 ( 4.314 7.472 0.237) 8.632 27.487 ( 4.707 8.153 -0.247) 9.417 28.183 ( 2.488 4.309 6.157) 7.917 28.734 ( -2.557 -4.430 -7.529) 9.102 ======================= Grid point 159 (29/48) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.068 ( 23.415 26.504 8.820) 36.448 4.333 ( 23.841 33.020 0.717) 40.734 4.886 ( 8.112 12.106 -13.567) 19.910 4.970 ( 14.719 16.038 -16.083) 27.066 5.470 ( -10.176 -14.510 7.375) 19.196 5.641 ( -2.353 6.104 7.249) 9.764 5.810 ( 2.859 -1.823 1.184) 3.591 6.069 ( 1.895 2.145 4.864) 5.644 6.197 ( 1.618 4.718 3.618) 6.162 6.654 ( -4.521 3.658 -2.806) 6.457 6.776 ( -7.346 -14.154 2.066) 16.079 7.019 ( -8.449 -3.323 3.646) 9.783 7.122 ( -6.473 -4.609 8.176) 11.401 7.170 ( 1.629 8.154 5.610) 10.030 7.585 ( 4.624 -10.273 2.056) 11.452 7.686 ( 4.221 -5.148 -3.330) 7.443 8.044 ( -1.753 6.164 -1.882) 6.679 8.198 ( 6.906 -3.051 -7.754) 10.822 8.374 ( 4.423 11.334 -3.902) 12.777 8.541 ( 4.518 -4.471 -11.262) 12.932 8.825 ( -4.305 -2.160 1.568) 5.065 8.935 ( 2.343 -10.589 -1.940) 11.017 9.063 ( -3.089 -5.808 -6.884) 9.522 9.353 ( 1.709 3.116 -10.116) 10.722 9.492 ( -7.765 -11.046 -9.801) 16.685 9.885 ( 2.304 10.829 -6.767) 12.976 10.016 ( -6.773 -14.381 12.575) 20.269 10.308 ( -6.912 -4.471 1.628) 8.392 10.444 ( 2.824 5.551 8.305) 10.381 10.547 ( 3.278 4.130 10.899) 12.107 10.609 ( 4.919 5.757 8.521) 11.399 10.872 ( -4.157 -2.982 5.972) 7.864 10.983 ( -1.260 7.243 2.034) 7.628 11.253 ( -2.500 -2.328 1.063) 3.578 11.576 ( -3.662 0.540 -2.829) 4.659 11.624 ( -9.530 0.065 6.127) 11.330 11.774 ( -0.496 -5.477 -1.018) 5.593 12.081 ( -23.490 2.892 -0.423) 23.672 12.296 ( -2.874 -2.624 -0.070) 3.892 12.397 ( -11.132 -2.714 1.432) 11.547 12.468 ( -7.047 4.579 0.750) 8.437 12.599 ( 5.148 -4.038 0.541) 6.565 12.768 ( 8.696 -5.230 -5.223) 11.413 12.927 ( 10.602 -7.410 -3.385) 13.370 13.036 ( 8.103 -8.283 -0.338) 11.592 13.191 ( 3.905 -5.140 1.922) 6.735 13.377 ( -7.956 -1.495 -5.147) 9.593 13.444 ( -2.366 -5.614 2.472) 6.575 13.539 ( 4.952 -5.305 -6.939) 10.041 13.768 ( -5.607 -2.774 0.478) 6.274 13.796 ( -0.962 -2.513 2.846) 3.917 13.862 ( -0.006 -8.747 1.179) 8.826 13.939 ( 0.174 1.113 -1.164) 1.620 14.062 ( -0.771 -6.456 1.855) 6.761 14.258 ( -3.842 -1.594 -5.870) 7.194 14.302 ( -0.737 -4.308 -8.298) 9.379 14.642 ( -0.769 -2.516 -2.237) 3.454 14.830 ( -3.391 0.796 8.395) 9.088 14.996 ( -0.688 2.099 4.170) 4.719 15.068 ( 1.140 -1.438 -9.605) 9.778 15.363 ( -3.493 10.747 -3.542) 11.842 15.498 ( 5.255 9.590 -8.753) 14.007 15.658 ( 4.394 2.041 2.286) 5.357 16.055 ( -7.343 5.349 -1.891) 9.279 16.228 ( 9.006 -0.852 6.681) 11.246 16.569 ( 2.225 0.898 9.990) 10.274 16.816 ( -3.925 -0.595 10.575) 11.296 16.984 ( 4.993 5.512 3.729) 8.320 17.176 ( 3.834 6.244 -1.175) 7.421 17.353 ( -0.240 -0.886 -5.173) 5.254 17.450 ( 1.268 2.539 -4.401) 5.237 17.712 ( -0.526 5.468 -0.334) 5.503 17.846 ( -2.005 -4.639 7.167) 8.770 18.083 ( 0.626 -7.583 1.090) 7.687 18.337 ( -5.026 4.647 -5.186) 8.587 18.618 ( 3.141 -7.852 -15.141) 17.343 19.307 ( 0.974 -1.339 9.533) 9.676 19.803 ( -0.632 4.590 -5.698) 7.344 19.921 ( 5.290 7.190 2.101) 9.170 20.030 ( 5.939 10.317 -0.046) 11.905 20.202 ( 2.380 -2.001 4.697) 5.633 20.545 ( -1.762 -1.662 -2.990) 3.848 23.846 ( -0.269 -0.249 11.035) 11.041 24.529 ( 1.002 1.358 -6.222) 6.447 25.894 ( 0.213 1.195 4.435) 4.598 26.283 ( -3.198 -4.318 -4.937) 7.297 27.611 ( 2.964 8.780 0.501) 9.280 27.653 ( 3.653 10.394 -0.512) 11.030 28.231 ( 1.634 -1.313 4.651) 5.101 28.631 ( -2.031 -7.810 -5.121) 9.558 ======================= Grid point 160 (30/48) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( 20.924 15.830 4.247) 26.579 4.921 ( 11.144 14.838 -1.481) 18.616 5.055 ( -0.339 2.316 -2.063) 3.121 5.193 ( -1.901 -5.095 2.395) 5.942 5.305 ( 0.126 4.218 -7.770) 8.842 5.546 ( 0.899 5.626 0.345) 5.708 5.842 ( -3.605 -2.099 -3.309) 5.325 5.965 ( -9.194 3.111 0.926) 9.750 6.159 ( -4.986 -6.366 3.944) 8.997 6.582 ( -3.950 3.660 -1.813) 5.681 6.648 ( 0.682 -8.225 2.036) 8.501 6.854 ( 0.506 -5.358 7.547) 9.269 6.950 ( -5.604 -2.385 12.044) 13.496 7.316 ( -4.986 14.928 1.417) 15.802 7.603 ( 6.025 -5.516 -1.802) 8.365 7.762 ( 6.859 -5.237 -0.272) 8.634 8.114 ( 2.436 5.438 0.756) 6.007 8.276 ( 8.479 -10.168 -2.506) 13.474 8.514 ( -1.750 7.055 -5.628) 9.193 8.589 ( 5.933 -6.432 -11.350) 14.332 8.699 ( -0.138 -11.535 -2.169) 11.738 8.829 ( 2.911 -12.013 -5.697) 13.611 9.054 ( 5.463 -2.530 -11.906) 13.342 9.208 ( -5.494 -15.996 -13.780) 21.816 9.468 ( 4.031 10.864 1.851) 11.734 9.847 ( -6.690 -0.452 13.370) 14.957 10.035 ( 0.139 9.573 0.387) 9.582 10.129 ( -4.762 -6.492 2.287) 8.370 10.570 ( 2.191 8.167 6.416) 10.615 10.666 ( -0.040 6.462 12.623) 14.181 10.750 ( 2.486 7.512 4.230) 8.972 10.881 ( -5.703 7.098 3.269) 9.674 10.956 ( -2.634 11.251 1.364) 11.635 11.264 ( -1.182 5.895 4.521) 7.523 11.443 ( -10.634 -0.076 -1.886) 10.800 11.476 ( -11.956 6.804 0.268) 13.759 11.659 ( -8.317 1.845 5.536) 10.160 11.891 ( 3.171 2.039 2.957) 4.792 12.138 ( -9.420 -8.224 0.462) 12.513 12.228 ( -3.064 -0.585 -2.238) 3.840 12.461 ( -1.862 4.575 2.063) 5.353 12.602 ( 5.730 -12.210 -0.497) 13.497 12.849 ( 7.429 -6.494 -6.274) 11.693 12.989 ( 7.810 -4.821 -4.482) 10.214 13.143 ( -4.689 -6.919 -6.393) 10.523 13.239 ( 11.541 -7.015 1.392) 13.577 13.279 ( 6.228 -1.126 -3.287) 7.132 13.374 ( -0.809 -4.642 1.229) 4.870 13.559 ( 1.293 -3.940 -4.674) 6.248 13.671 ( 1.381 -6.152 -1.202) 6.419 13.741 ( -1.360 -4.963 -1.171) 5.277 13.787 ( -1.251 -2.983 0.841) 3.342 13.943 ( 1.053 -2.217 0.169) 2.460 14.035 ( 2.864 -5.858 5.765) 8.704 14.197 ( 0.045 -0.167 -3.529) 3.533 14.243 ( -2.243 -2.543 -6.101) 6.980 14.616 ( 0.350 -1.691 -3.247) 3.677 14.800 ( -3.937 4.999 10.965) 12.678 15.008 ( -0.005 1.012 -1.382) 1.713 15.076 ( 1.922 -2.505 -4.908) 5.836 15.384 ( -7.611 13.778 -4.431) 16.352 15.679 ( 3.000 9.921 -7.043) 12.532 15.725 ( 0.501 3.445 -3.256) 4.766 15.934 ( -7.591 -0.039 -8.563) 11.443 16.348 ( 3.969 -0.417 13.988) 14.546 16.637 ( 5.079 0.797 11.773) 12.846 16.736 ( -3.568 -3.291 12.360) 13.279 17.089 ( 0.793 4.753 5.679) 7.448 17.266 ( 1.551 3.126 -4.234) 5.487 17.333 ( -0.715 -1.321 -3.218) 3.551 17.487 ( -1.360 4.674 -7.230) 8.716 17.732 ( -1.422 3.777 -1.412) 4.276 17.780 ( -0.184 -4.627 7.729) 9.010 18.064 ( 3.778 -5.922 1.565) 7.197 18.267 ( -5.571 3.326 -4.770) 8.053 18.616 ( 5.677 -9.298 -14.369) 18.031 19.313 ( 1.065 -1.278 9.504) 9.649 19.828 ( -1.825 4.590 -6.492) 8.157 20.023 ( -0.081 5.119 4.908) 7.092 20.166 ( 2.389 0.394 2.710) 3.634 20.263 ( 4.500 2.325 0.072) 5.065 20.480 ( -2.711 -2.445 -4.097) 5.488 23.842 ( -0.129 -0.013 10.944) 10.945 24.549 ( 0.315 0.436 -6.678) 6.699 25.906 ( -0.336 1.280 3.490) 3.733 26.219 ( -0.956 -1.588 -4.067) 4.469 27.716 ( -1.532 8.968 0.810) 9.134 27.783 ( -1.813 11.256 -0.817) 11.430 28.228 ( 2.400 -5.161 3.627) 6.749 28.538 ( 2.080 -9.703 -3.890) 10.658 ======================= Grid point 170 (31/48) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.546 ( 11.967 20.727 5.016) 24.453 4.899 ( 12.923 22.384 -1.685) 25.901 5.065 ( 3.442 5.961 -4.092) 8.008 5.186 ( -4.878 -8.449 4.841) 10.892 5.305 ( 8.828 15.291 -12.161) 21.439 5.672 ( -4.600 -7.968 -5.729) 10.839 5.746 ( 0.724 1.255 9.006) 9.122 6.088 ( 0.717 1.242 2.178) 2.608 6.233 ( -1.378 -2.386 0.117) 2.758 6.467 ( -9.111 -15.782 6.772) 19.441 6.655 ( -0.800 -1.386 0.248) 1.620 6.885 ( -5.823 -10.086 5.481) 12.871 7.142 ( 4.137 7.166 13.041) 15.444 7.283 ( 0.057 0.099 5.618) 5.619 7.566 ( 3.691 6.394 -2.554) 7.812 7.640 ( 1.125 1.948 -6.076) 6.479 8.107 ( -3.181 -5.510 -2.951) 7.013 8.163 ( 2.445 4.235 1.139) 5.022 8.488 ( -1.797 -3.112 -13.121) 13.605 8.571 ( 4.302 7.451 -7.355) 11.319 8.630 ( -6.526 -11.303 3.451) 13.500 8.734 ( -5.571 -9.649 -12.706) 16.899 9.011 ( -1.485 -2.571 -12.809) 13.149 9.168 ( -9.731 -16.855 -15.052) 24.604 9.491 ( 7.642 13.237 1.303) 15.340 9.899 ( 0.209 0.361 12.765) 12.772 10.073 ( 2.678 4.639 2.440) 5.886 10.148 ( -4.972 -8.611 2.164) 10.176 10.603 ( 4.128 7.149 6.853) 10.729 10.650 ( 3.483 6.032 16.176) 17.612 10.793 ( 5.689 9.854 4.843) 12.367 10.975 ( 6.721 11.641 5.706) 14.602 11.104 ( 1.763 3.054 1.271) 3.749 11.247 ( 1.890 3.274 0.452) 3.807 11.582 ( 0.460 0.797 -2.313) 2.489 11.614 ( -0.642 -1.113 11.616) 11.687 11.693 ( -1.135 -1.966 -2.440) 3.332 12.008 ( -7.398 -12.814 4.580) 15.489 12.189 ( -4.304 -7.454 -5.588) 10.263 12.300 ( -4.297 -7.443 -0.430) 8.605 12.424 ( -3.172 -5.493 5.577) 8.446 12.523 ( -4.106 -7.112 -3.368) 8.875 12.583 ( -1.204 -2.085 1.663) 2.926 12.940 ( 1.151 1.994 -2.953) 3.745 13.017 ( 5.234 9.066 -11.566) 15.600 13.187 ( 1.037 1.796 -0.174) 2.081 13.288 ( -5.698 -9.869 -10.388) 15.420 13.367 ( -2.130 -3.689 0.328) 4.272 13.449 ( 0.617 1.069 -1.564) 1.992 13.663 ( -3.379 -5.853 -0.185) 6.761 13.749 ( -1.628 -2.819 -1.616) 3.635 13.755 ( -2.320 -4.018 0.308) 4.649 13.945 ( -1.333 -2.308 0.327) 2.685 13.958 ( -1.866 -3.233 5.868) 6.955 14.191 ( -0.923 -1.600 -6.313) 6.578 14.258 ( -0.905 -1.568 -5.349) 5.647 14.606 ( -0.638 -1.106 -1.965) 2.343 14.872 ( 1.560 2.701 10.746) 11.190 15.005 ( -0.415 -0.718 10.058) 10.092 15.047 ( -0.356 -0.616 -12.590) 12.610 15.563 ( 4.478 7.757 -2.305) 9.249 15.684 ( 5.688 9.851 -14.736) 18.615 15.703 ( 1.379 2.389 0.553) 2.814 16.039 ( -3.294 -5.705 -13.299) 14.842 16.281 ( 2.275 3.941 15.677) 16.324 16.584 ( 1.053 1.824 13.178) 13.345 16.765 ( -2.361 -4.089 13.297) 14.110 17.107 ( 3.350 5.802 7.489) 10.049 17.266 ( 1.647 2.852 -3.798) 5.027 17.328 ( -0.818 -1.417 -5.008) 5.269 17.530 ( 3.150 5.455 -7.593) 9.866 17.772 ( -1.836 -3.180 8.462) 9.224 17.775 ( 0.194 0.336 0.819) 0.906 17.977 ( -1.390 -2.407 -1.707) 3.262 18.399 ( -0.029 -0.050 -7.045) 7.046 18.444 ( -3.922 -6.793 -10.675) 13.246 19.299 ( 0.109 0.188 10.268) 10.271 19.874 ( 1.672 2.895 -5.564) 6.491 20.046 ( 2.852 4.940 2.484) 6.222 20.154 ( -1.225 -2.123 4.274) 4.927 20.222 ( 4.869 8.433 -1.838) 9.910 20.493 ( -2.085 -3.612 -3.399) 5.381 23.843 ( -0.065 -0.112 10.903) 10.904 24.548 ( 0.348 0.603 -6.659) 6.696 25.915 ( 0.518 0.898 3.358) 3.514 26.220 ( -1.229 -2.128 -3.981) 4.679 27.784 ( 4.910 8.504 1.039) 9.875 27.872 ( 6.534 11.317 -1.089) 13.113 28.170 ( -2.638 -4.570 3.369) 6.260 28.457 ( -5.521 -9.563 -3.591) 11.611 ======================= Grid point 171 (32/48) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.762 ( 2.031 -3.518 6.411) 7.589 5.028 ( -4.593 7.955 -0.617) 9.206 5.152 ( 1.548 -2.681 -2.400) 3.918 5.286 ( -4.618 7.998 1.362) 9.335 5.335 ( -3.430 5.941 -8.397) 10.843 5.588 ( 5.130 -8.886 -8.222) 13.148 5.870 ( -5.068 8.777 1.741) 10.284 6.029 ( -0.456 0.790 11.446) 11.482 6.146 ( -3.714 6.433 0.249) 7.432 6.325 ( 8.657 -14.994 2.234) 17.458 6.687 ( 0.187 -0.325 4.285) 4.301 6.705 ( 3.608 -6.249 5.034) 8.799 7.152 ( -10.383 17.984 10.446) 23.245 7.439 ( 5.659 -9.802 6.468) 13.036 7.586 ( -6.320 10.947 -5.095) 13.629 7.713 ( 1.354 -2.345 -7.289) 7.776 7.969 ( 8.873 -15.368 6.445) 18.880 8.213 ( -1.951 3.379 2.109) 4.436 8.445 ( 3.108 -5.383 -8.789) 10.764 8.535 ( 1.274 -2.206 -8.192) 8.579 8.619 ( 5.035 -8.720 -8.966) 13.482 8.653 ( -1.995 3.455 -7.758) 8.724 8.971 ( 2.513 -4.352 -19.421) 20.061 8.978 ( 2.991 -5.181 -20.234) 21.100 9.724 ( -6.353 11.003 7.155) 14.581 9.898 ( -1.484 2.570 9.521) 9.973 10.033 ( 1.406 -2.435 7.189) 7.719 10.086 ( 1.496 -2.592 7.448) 8.027 10.684 ( -2.038 3.530 11.034) 11.763 10.720 ( -0.217 0.376 15.036) 15.042 10.936 ( -5.274 9.135 0.884) 10.586 11.074 ( -3.230 5.595 0.909) 6.524 11.142 ( -3.865 6.695 2.839) 8.236 11.370 ( -0.426 0.737 0.702) 1.103 11.506 ( -6.970 12.073 6.774) 15.499 11.636 ( -3.381 5.856 0.965) 6.830 11.680 ( -0.345 0.598 1.505) 1.656 11.836 ( 6.403 -11.090 5.932) 14.113 12.062 ( -2.271 3.934 -2.144) 5.023 12.188 ( 1.740 -3.014 -2.170) 4.101 12.378 ( 4.219 -7.307 -0.016) 8.438 12.472 ( 8.480 -14.687 -2.258) 17.109 12.573 ( 0.001 -0.002 3.159) 3.159 13.002 ( 0.400 -0.693 -4.423) 4.495 13.085 ( -1.846 3.197 -13.327) 13.829 13.179 ( 0.921 -1.595 -10.315) 10.478 13.227 ( 2.510 -4.348 -3.271) 5.992 13.301 ( 1.910 -3.309 0.712) 3.886 13.522 ( 0.439 -0.760 1.226) 1.508 13.585 ( -0.699 1.210 -2.798) 3.128 13.666 ( 0.914 -1.584 -3.011) 3.523 13.733 ( 3.035 -5.258 -1.898) 6.361 13.895 ( 0.302 -0.522 4.150) 4.193 13.937 ( 2.123 -3.677 7.218) 8.375 14.205 ( -0.324 0.561 -6.541) 6.573 14.227 ( -0.006 0.010 -4.400) 4.400 14.596 ( 0.234 -0.405 -1.844) 1.903 14.905 ( -2.754 4.770 11.785) 13.008 14.993 ( 1.311 -2.271 9.766) 10.112 15.041 ( 0.469 -0.812 -11.589) 11.627 15.633 ( -5.784 10.018 -2.984) 11.946 15.731 ( -0.526 0.911 -0.541) 1.183 15.882 ( 1.025 -1.774 -13.259) 13.416 15.885 ( -1.859 3.220 -16.003) 16.429 16.318 ( 1.123 -1.945 14.726) 14.896 16.639 ( -0.044 0.077 14.924) 14.925 16.690 ( 0.785 -1.360 14.584) 14.669 17.170 ( -1.569 2.718 10.428) 10.890 17.295 ( -0.120 0.208 -7.814) 7.818 17.308 ( 0.477 -0.827 -4.071) 4.182 17.615 ( -4.012 6.950 -9.622) 12.530 17.719 ( 0.486 -0.842 10.642) 10.686 17.765 ( 1.098 -1.903 0.467) 2.246 17.967 ( 1.777 -3.077 -3.724) 5.147 18.327 ( -1.922 3.329 -6.065) 7.181 18.434 ( 4.533 -7.851 -8.850) 12.669 19.302 ( 0.069 -0.120 10.219) 10.220 19.906 ( -1.652 2.862 -6.189) 7.016 20.097 ( -1.192 2.065 4.407) 5.010 20.126 ( 1.312 -2.272 2.748) 3.799 20.336 ( -1.978 3.427 -2.066) 4.464 20.429 ( 1.433 -2.483 -3.707) 4.686 23.842 ( -0.005 0.009 10.852) 10.852 24.554 ( -0.060 0.104 -6.813) 6.814 25.925 ( -0.322 0.557 3.009) 3.077 26.200 ( 0.278 -0.482 -3.616) 3.659 27.893 ( -4.898 8.484 1.518) 9.913 28.021 ( -6.886 11.927 -1.590) 13.864 28.100 ( 4.186 -7.251 2.649) 8.782 28.325 ( 6.432 -11.140 -2.812) 13.167 ======================= Grid point 266 (33/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.000 0.000 50.824) 50.824 2.001 ( 0.000 0.000 50.824) 50.824 2.920 ( 0.000 0.000 -46.161) 46.161 2.920 ( 0.000 0.000 -46.161) 46.161 3.088 ( 0.000 -0.000 78.709) 78.709 4.513 ( 0.000 0.000 -71.482) 71.482 5.510 ( 0.000 0.000 16.063) 16.063 5.510 ( -0.000 -0.000 16.063) 16.063 5.761 ( 0.000 0.000 -10.694) 10.694 5.761 ( -0.000 0.000 -10.694) 10.694 6.727 ( -0.000 -0.000 22.801) 22.801 7.210 ( 0.000 -0.000 -27.483) 27.483 7.737 ( 0.000 -0.000 12.996) 12.996 7.737 ( 0.000 -0.000 12.996) 12.996 8.007 ( -0.000 0.000 -14.928) 14.928 8.007 ( 0.000 0.000 -14.928) 14.928 8.254 ( 0.000 -0.000 7.934) 7.934 8.380 ( -0.000 -0.000 -3.378) 3.378 8.963 ( -0.000 0.000 10.291) 10.291 8.963 ( -0.000 -0.000 10.291) 10.291 9.084 ( 0.000 -0.000 16.127) 16.127 9.122 ( 0.000 -0.000 -5.587) 5.587 9.122 ( 0.000 -0.000 -5.587) 5.587 9.354 ( -0.000 0.000 -12.251) 12.251 9.929 ( 0.000 -0.000 20.875) 20.875 10.336 ( -0.000 -0.000 -20.129) 20.129 10.622 ( -0.000 0.000 8.658) 8.658 10.786 ( 0.000 0.000 -8.206) 8.206 10.926 ( 0.000 -0.000 1.498) 1.498 10.926 ( 0.000 0.000 1.498) 1.498 10.960 ( 0.000 0.000 -1.087) 1.087 10.960 ( 0.000 0.000 -1.087) 1.087 11.540 ( 0.000 -0.000 8.524) 8.524 11.540 ( 0.000 0.000 8.524) 8.524 11.769 ( 0.000 0.000 35.548) 35.548 11.809 ( 0.000 0.000 -17.781) 17.781 11.809 ( 0.000 0.000 -17.781) 17.781 12.470 ( 0.000 -0.000 -37.524) 37.524 12.608 ( 0.000 -0.000 3.852) 3.852 12.608 ( 0.000 -0.000 3.852) 3.852 12.667 ( 0.000 0.000 -2.502) 2.502 12.667 ( -0.000 0.000 -2.502) 2.502 13.017 ( -0.000 0.000 11.668) 11.668 13.017 ( 0.000 -0.000 11.668) 11.668 13.188 ( 0.000 0.000 -5.851) 5.851 13.188 ( 0.000 -0.000 -5.851) 5.851 13.766 ( -0.000 0.000 12.674) 12.674 13.840 ( -0.000 0.000 -0.182) 0.182 13.840 ( 0.000 0.000 -0.182) 0.182 13.880 ( -0.000 -0.000 -4.248) 4.248 13.880 ( 0.000 -0.000 -4.248) 4.248 14.012 ( 0.000 -0.000 -12.589) 12.589 14.427 ( 0.000 -0.000 7.674) 7.674 14.427 ( 0.000 -0.000 7.674) 7.674 14.558 ( -0.000 0.000 -5.675) 5.675 14.558 ( 0.000 -0.000 -5.675) 5.675 14.930 ( -0.000 0.000 3.019) 3.019 14.930 ( -0.000 0.000 3.019) 3.019 14.995 ( 0.000 0.000 -3.672) 3.672 14.995 ( 0.000 -0.000 -3.672) 3.672 15.283 ( 0.000 -0.000 15.302) 15.302 15.441 ( 0.000 0.000 -1.525) 1.525 15.454 ( 0.000 0.000 24.706) 24.706 15.454 ( -0.000 -0.000 24.706) 24.706 15.924 ( -0.000 0.000 -23.642) 23.642 15.924 ( 0.000 0.000 -23.642) 23.642 16.228 ( 0.000 0.000 -2.219) 2.219 16.241 ( 0.000 0.000 -3.974) 3.974 17.088 ( 0.000 0.000 5.700) 5.700 17.088 ( 0.000 -0.000 5.700) 5.700 17.198 ( 0.000 0.000 -5.815) 5.815 17.198 ( 0.000 -0.000 -5.815) 5.815 17.851 ( 0.000 -0.000 9.628) 9.628 18.031 ( 0.000 0.000 -8.902) 8.902 19.073 ( 0.000 -0.000 10.767) 10.767 19.073 ( 0.000 -0.000 10.767) 10.767 19.234 ( 0.000 0.000 -2.444) 2.444 19.237 ( 0.000 0.000 -3.444) 3.444 19.260 ( 0.000 -0.000 -8.581) 8.581 19.260 ( 0.000 -0.000 -8.581) 8.581 20.306 ( 0.000 -0.000 9.898) 9.898 20.445 ( -0.000 0.000 -4.824) 4.824 24.159 ( 0.000 -0.000 5.241) 5.241 24.264 ( 0.000 0.000 -5.579) 5.579 27.152 ( 0.000 -0.000 0.035) 0.035 27.152 ( -0.000 0.000 0.035) 0.035 27.153 ( -0.000 0.000 -0.034) 0.034 27.153 ( -0.000 0.000 -0.034) 0.034 27.490 ( 0.000 -0.000 2.215) 2.215 27.532 ( 0.000 0.000 -2.116) 2.116 ======================= Grid point 267 (34/48) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 12.532 7.235 47.046) 49.221 2.228 ( 19.004 10.972 45.233) 50.275 3.002 ( 7.658 4.421 -45.701) 46.549 3.072 ( 13.042 7.530 -43.285) 45.830 3.533 ( 35.007 20.211 66.591) 77.899 4.752 ( 19.902 11.491 -58.989) 63.308 5.549 ( 3.495 2.018 15.221) 15.747 5.678 ( 13.995 8.080 10.429) 19.233 5.787 ( 2.678 1.546 -9.882) 10.355 5.893 ( 10.925 6.308 -10.257) 16.259 6.677 ( -4.149 -2.395 20.744) 21.290 7.107 ( -7.738 -4.467 -23.402) 25.050 7.748 ( -0.303 -0.175 13.646) 13.650 7.804 ( 3.980 2.298 8.685) 9.826 8.005 ( -0.893 -0.515 -11.393) 11.440 8.042 ( -0.499 -0.288 -16.847) 16.857 8.098 ( -8.931 -5.156 9.945) 14.327 8.243 ( -9.256 -5.344 -3.845) 11.359 8.881 ( -6.293 -3.633 8.171) 10.934 8.948 ( -6.590 -3.805 3.352) 8.315 9.014 ( -2.923 -1.688 -0.277) 3.387 9.015 ( -6.574 -3.796 9.734) 12.344 9.147 ( 2.022 1.168 1.099) 2.581 9.377 ( -0.969 -0.559 -14.937) 14.979 9.913 ( -1.240 -0.716 20.019) 20.070 10.257 ( -6.477 -3.739 -13.825) 15.718 10.555 ( -3.462 -1.999 5.946) 7.165 10.638 ( -7.285 -4.206 -1.121) 8.486 10.781 ( -10.973 -6.335 2.859) 12.989 10.829 ( -9.303 -5.371 -0.615) 10.760 11.011 ( 3.979 2.297 -1.240) 4.759 11.047 ( 2.351 1.357 -3.620) 4.525 11.575 ( -2.094 -1.209 11.466) 11.718 11.601 ( 4.701 2.714 4.991) 7.374 11.644 ( 1.536 0.887 8.252) 8.440 11.810 ( -1.020 -0.589 -14.079) 14.128 11.983 ( 6.677 3.855 -1.766) 7.909 12.242 ( -11.674 -6.740 -16.890) 21.610 12.540 ( -5.133 -2.964 4.211) 7.271 12.586 ( -5.383 -3.108 -1.689) 6.441 12.635 ( -4.357 -2.516 1.100) 5.150 12.730 ( 1.894 1.093 -7.878) 8.176 12.997 ( -0.115 -0.066 9.649) 9.650 13.049 ( -2.899 -1.674 5.025) 6.038 13.187 ( 5.100 2.945 -6.507) 8.776 13.205 ( 1.126 0.650 -5.060) 5.225 13.728 ( -3.342 -1.929 10.499) 11.186 13.803 ( -3.096 -1.788 0.051) 3.576 13.831 ( -1.088 -0.628 0.803) 1.491 13.882 ( -1.210 -0.699 -4.562) 4.771 13.899 ( 1.232 0.711 -1.951) 2.414 14.023 ( 0.541 0.312 -11.777) 11.794 14.350 ( -5.933 -3.426 6.833) 9.676 14.371 ( -5.182 -2.992 7.399) 9.516 14.478 ( -5.308 -3.065 -6.128) 8.668 14.498 ( -4.848 -2.799 -5.260) 7.681 14.801 ( -4.317 -2.492 1.748) 5.282 14.818 ( -8.592 -4.961 0.201) 9.923 14.956 ( 0.934 0.539 0.319) 1.125 14.987 ( -1.023 -0.591 -2.206) 2.503 15.341 ( 0.215 0.124 12.139) 12.142 15.413 ( -1.847 -1.067 11.600) 11.794 15.542 ( 7.481 4.319 22.123) 23.750 15.651 ( 9.572 5.526 5.559) 12.371 15.971 ( 3.718 2.147 -21.419) 21.846 15.978 ( 4.385 2.532 -21.210) 21.806 16.335 ( 9.408 5.432 2.583) 11.166 16.406 ( 12.729 7.349 -4.509) 15.375 17.080 ( -0.697 -0.402 6.111) 6.164 17.169 ( 5.312 3.067 3.108) 6.876 17.206 ( 1.608 0.928 -5.802) 6.092 17.266 ( 5.436 3.139 -5.610) 8.419 17.899 ( 4.040 2.332 8.431) 9.636 18.053 ( 1.761 1.017 -7.226) 7.506 18.820 ( -13.925 -8.040 7.299) 17.659 18.937 ( -14.825 -8.559 -5.343) 17.933 19.143 ( 6.088 3.515 9.390) 11.730 19.310 ( 4.370 2.523 -7.722) 9.224 19.371 ( 5.255 3.034 1.188) 6.183 19.451 ( 6.479 3.741 -6.055) 9.624 20.317 ( 0.925 0.534 9.596) 9.656 20.453 ( 0.749 0.432 -4.826) 4.902 24.141 ( -1.226 -0.708 7.460) 7.593 24.270 ( 0.557 0.322 -6.178) 6.211 26.628 ( -23.032 -13.298 16.841) 31.479 26.862 ( -15.927 -9.196 -8.940) 20.449 27.180 ( 2.424 1.400 0.095) 2.801 27.182 ( 2.528 1.460 -0.093) 2.921 27.797 ( 16.929 9.774 10.771) 22.319 28.064 ( 23.337 13.474 -18.351) 32.602 ======================= Grid point 268 (35/48) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 28.363 16.376 31.610) 45.517 2.785 ( 29.016 16.752 34.616) 48.175 3.285 ( 17.725 10.233 -39.188) 44.210 3.475 ( 21.929 12.661 -36.354) 44.304 4.461 ( 43.906 25.349 48.841) 70.397 5.295 ( 24.978 14.421 -31.882) 42.992 5.667 ( 7.114 4.107 13.311) 15.641 5.849 ( 4.618 2.666 -4.630) 7.062 6.123 ( 21.438 12.377 -7.322) 25.815 6.189 ( 12.953 7.478 -7.515) 16.738 6.574 ( -2.723 -1.572 16.741) 17.034 6.925 ( -6.757 -3.901 -19.038) 20.575 7.625 ( -11.588 -6.691 9.564) 16.447 7.715 ( -14.415 -8.323 2.165) 16.785 7.902 ( -1.193 -0.689 1.209) 1.833 7.923 ( -6.053 -3.494 -3.145) 7.664 8.094 ( -0.616 -0.356 -5.936) 5.978 8.123 ( -1.102 -0.636 -4.387) 4.568 8.645 ( -13.581 -7.841 11.593) 19.502 8.739 ( -9.826 -5.673 1.822) 11.492 8.924 ( -0.271 -0.157 -1.976) 2.001 8.925 ( -6.716 -3.878 -1.947) 7.996 9.184 ( 1.463 0.844 1.574) 2.309 9.301 ( -3.768 -2.176 -10.340) 11.218 9.871 ( -3.057 -1.765 14.274) 14.704 10.068 ( -9.889 -5.710 -5.072) 12.495 10.453 ( -11.351 -6.553 5.628) 14.264 10.498 ( -4.086 -2.359 2.021) 5.133 10.608 ( -0.477 -0.276 0.532) 0.766 10.611 ( -6.311 -3.644 -2.066) 7.574 11.039 ( -2.137 -1.234 0.448) 2.508 11.065 ( 0.307 0.177 -3.069) 3.089 11.511 ( -3.863 -2.230 7.745) 8.938 11.644 ( -6.965 -4.021 -3.322) 8.701 11.677 ( -1.398 -0.807 3.719) 4.054 11.740 ( -2.373 -1.370 -3.003) 4.065 12.056 ( -2.753 -1.589 -3.568) 4.779 12.087 ( 1.827 1.055 -5.348) 5.749 12.386 ( -8.177 -4.721 0.598) 9.461 12.425 ( -10.568 -6.101 -3.007) 12.568 12.509 ( -3.682 -2.126 5.386) 6.862 12.650 ( -5.871 -3.390 -8.041) 10.517 12.998 ( 0.050 0.029 7.405) 7.405 13.037 ( 2.744 1.584 6.007) 6.791 13.240 ( 2.383 1.376 -1.662) 3.215 13.334 ( 5.513 3.183 -9.543) 11.471 13.613 ( -6.665 -3.848 6.222) 9.897 13.680 ( -7.938 -4.583 -0.471) 9.178 13.773 ( -4.272 -2.466 -0.402) 4.949 13.792 ( -5.717 -3.301 -4.057) 7.749 13.922 ( 0.727 0.420 2.466) 2.605 14.030 ( 0.121 0.070 -6.865) 6.866 14.203 ( -6.759 -3.902 5.570) 9.588 14.260 ( -3.033 -1.751 -0.484) 3.536 14.375 ( -4.389 -2.534 -2.619) 5.705 14.391 ( -2.236 -1.291 -5.242) 5.843 14.715 ( -1.880 -1.086 3.851) 4.421 14.798 ( 2.458 1.419 -4.326) 5.174 14.937 ( -3.757 -2.169 -1.020) 4.456 14.949 ( -1.724 -0.995 -1.848) 2.716 15.294 ( -2.674 -1.544 6.686) 7.365 15.327 ( -4.752 -2.743 3.891) 6.727 15.740 ( 8.453 4.880 15.803) 18.574 15.800 ( 3.787 2.186 9.139) 10.131 16.101 ( 6.768 3.907 -14.217) 16.224 16.106 ( 8.459 4.884 -14.820) 17.750 16.619 ( 13.675 7.895 4.836) 16.515 16.671 ( 9.518 5.495 -0.622) 11.008 17.060 ( -0.718 -0.415 6.868) 6.918 17.196 ( -0.085 -0.049 -7.275) 7.276 17.348 ( 7.141 4.123 0.716) 8.277 17.399 ( 5.320 3.071 -3.419) 7.030 18.009 ( 4.972 2.871 5.289) 7.806 18.097 ( 1.875 1.083 -3.446) 4.070 18.562 ( -8.263 -4.770 1.685) 9.689 18.623 ( -12.228 -7.060 -3.943) 14.660 19.327 ( 9.394 5.424 5.813) 12.307 19.421 ( 3.089 1.783 -1.604) 3.910 19.475 ( 6.773 3.910 -0.138) 7.822 19.561 ( 4.181 2.414 -6.372) 7.995 20.345 ( 1.473 0.851 8.987) 9.147 20.476 ( 1.185 0.684 -4.842) 5.032 24.117 ( -0.748 -0.432 10.710) 10.744 24.291 ( 1.284 0.741 -7.682) 7.823 26.255 ( -11.068 -6.390 17.444) 21.625 26.544 ( -12.062 -6.964 -12.852) 18.952 27.258 ( 4.350 2.512 0.282) 5.031 27.263 ( 4.569 2.638 -0.277) 5.284 28.125 ( 11.763 6.791 13.794) 19.359 28.431 ( 10.170 5.872 -18.265) 21.714 ======================= Grid point 269 (36/48) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( 34.444 19.887 17.088) 43.288 3.472 ( 30.943 17.865 22.450) 42.198 3.787 ( 26.219 15.138 -25.069) 39.307 4.020 ( 25.825 14.910 -27.647) 40.665 5.321 ( 26.682 15.405 27.282) 41.153 5.698 ( 7.753 4.476 -10.316) 13.659 5.908 ( 16.271 9.394 12.869) 22.773 6.005 ( 8.845 5.107 2.117) 10.431 6.292 ( -5.617 -3.243 -4.159) 7.705 6.292 ( -4.183 -2.415 1.561) 5.076 6.879 ( 25.370 14.647 -9.684) 30.854 6.930 ( 6.927 3.999 -8.897) 11.964 7.322 ( -12.074 -6.971 4.687) 14.709 7.384 ( -12.224 -7.058 -1.122) 14.160 7.734 ( -11.018 -6.361 2.708) 13.007 7.809 ( -7.773 -4.488 -3.724) 9.717 8.031 ( -2.952 -1.704 1.836) 3.872 8.104 ( -1.280 -0.739 -5.079) 5.289 8.420 ( -4.891 -2.824 3.903) 6.865 8.516 ( -8.706 -5.027 -4.330) 10.946 8.807 ( -1.733 -1.000 5.919) 6.248 8.953 ( 2.051 1.184 -7.401) 7.771 9.222 ( 1.689 0.975 -0.773) 2.097 9.257 ( -0.620 -0.358 -2.889) 2.976 9.740 ( -8.125 -4.691 5.502) 10.876 9.828 ( -10.952 -6.323 -2.802) 12.953 10.259 ( -5.326 -3.075 6.614) 9.031 10.340 ( -6.328 -3.653 -2.862) 7.847 10.607 ( 2.188 1.263 4.302) 4.989 10.643 ( 1.718 0.992 0.459) 2.037 10.984 ( -2.613 -1.508 2.140) 3.699 10.998 ( -6.676 -3.854 0.507) 7.725 11.341 ( -10.864 -6.273 0.022) 12.545 11.370 ( -14.193 -8.194 -3.057) 16.672 11.581 ( -6.202 -3.581 5.035) 8.754 11.620 ( -7.202 -4.158 1.460) 8.443 11.987 ( -9.583 -5.533 -0.241) 11.068 12.018 ( -12.697 -7.331 -2.346) 14.848 12.209 ( 2.616 1.510 2.061) 3.657 12.300 ( 0.948 0.548 -6.783) 6.871 12.516 ( 3.226 1.862 1.115) 3.888 12.562 ( -3.271 -1.888 -2.376) 4.462 13.002 ( -0.609 -0.352 8.470) 8.499 13.084 ( 1.447 0.836 2.520) 3.024 13.304 ( 0.488 0.282 0.656) 0.865 13.346 ( -5.565 -3.213 -4.196) 7.674 13.466 ( -3.976 -2.295 1.989) 5.003 13.572 ( 1.640 0.947 -6.208) 6.490 13.649 ( -5.615 -3.242 -1.188) 6.592 13.678 ( -3.957 -2.284 -5.523) 7.167 13.938 ( 0.849 0.490 5.838) 5.920 14.043 ( 1.249 0.721 -4.376) 4.608 14.066 ( -4.910 -2.835 7.286) 9.232 14.213 ( -1.882 -1.087 -8.014) 8.304 14.332 ( -0.124 -0.072 1.804) 1.809 14.383 ( 1.355 0.782 -4.236) 4.516 14.623 ( -7.291 -4.210 5.841) 10.247 14.758 ( -7.353 -4.245 -7.534) 11.351 14.916 ( 3.018 1.742 -3.046) 4.628 14.917 ( -0.512 -0.296 -2.516) 2.585 15.249 ( -1.889 -1.090 2.263) 3.142 15.257 ( -0.796 -0.459 2.244) 2.425 15.828 ( -0.999 -0.577 6.565) 6.665 15.853 ( 1.202 0.694 4.168) 4.393 16.303 ( 10.909 6.298 -2.193) 12.786 16.337 ( 11.462 6.618 -5.088) 14.179 16.817 ( 3.665 2.116 6.423) 7.692 16.888 ( 9.653 5.573 0.724) 11.170 17.069 ( 1.675 0.967 6.085) 6.385 17.191 ( -0.235 -0.136 -8.255) 8.259 17.474 ( 3.785 2.185 -0.638) 4.417 17.481 ( 1.977 1.142 0.050) 2.284 18.084 ( 1.085 0.627 3.238) 3.472 18.122 ( -0.040 -0.023 -0.443) 0.446 18.413 ( -6.149 -3.550 -0.498) 7.117 18.458 ( -1.252 -0.723 -6.651) 6.807 19.452 ( 0.523 0.302 2.321) 2.398 19.491 ( 3.797 2.192 -1.903) 4.780 19.677 ( 10.090 5.826 0.698) 11.672 19.710 ( 10.190 5.883 -2.605) 12.051 20.375 ( 0.963 0.556 7.889) 7.967 20.496 ( 0.270 0.156 -4.785) 4.796 24.106 ( -0.307 -0.177 12.990) 12.995 24.323 ( 1.427 0.824 -9.616) 9.756 26.084 ( -4.939 -2.852 12.709) 13.930 26.320 ( -7.948 -4.589 -11.579) 14.775 27.368 ( 5.213 3.010 0.608) 6.050 27.380 ( 5.541 3.199 -0.590) 6.425 28.324 ( 6.191 3.574 11.892) 13.875 28.570 ( 3.064 1.769 -13.403) 13.862 ======================= Grid point 270 (37/48) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( 33.119 19.121 6.608) 38.810 4.143 ( 28.254 16.312 9.669) 34.028 4.421 ( 28.880 16.674 -8.182) 34.336 4.609 ( 26.000 15.011 -18.066) 35.039 5.552 ( -3.085 -1.781 8.791) 9.486 5.666 ( -8.837 -5.102 -2.836) 10.591 6.036 ( -9.063 -5.232 -1.055) 10.518 6.071 ( -5.308 -3.065 -4.404) 7.548 6.230 ( -0.941 -0.543 9.715) 9.776 6.313 ( 4.618 2.666 1.966) 5.684 6.947 ( -0.768 -0.443 6.330) 6.392 7.042 ( -4.182 -2.414 -1.610) 5.090 7.312 ( -0.812 -0.469 6.252) 6.322 7.414 ( 1.592 0.919 -2.428) 3.045 7.472 ( -2.684 -1.550 8.340) 8.898 7.696 ( 2.077 1.199 -11.331) 11.581 8.071 ( 7.959 4.595 -0.624) 9.212 8.139 ( 6.412 3.702 -5.668) 9.325 8.381 ( 0.668 0.386 -1.712) 1.877 8.421 ( 0.996 0.575 -8.189) 8.270 8.852 ( 5.165 2.982 8.881) 10.698 9.019 ( 4.006 2.313 -7.738) 9.015 9.222 ( -3.494 -2.017 1.037) 4.165 9.232 ( -1.266 -0.731 -1.256) 1.927 9.590 ( -3.386 -1.955 -1.427) 4.163 9.606 ( -7.695 -4.443 -3.731) 9.637 10.196 ( -0.219 -0.127 6.491) 6.496 10.267 ( -0.079 -0.046 -0.429) 0.439 10.531 ( -13.407 -7.740 6.252) 16.696 10.598 ( -7.345 -4.241 -0.763) 8.516 10.868 ( -1.300 -0.751 3.657) 3.953 10.881 ( -8.601 -4.966 -0.196) 9.934 11.054 ( -12.318 -7.112 0.509) 14.232 11.119 ( -5.081 -2.933 -2.218) 6.272 11.469 ( -3.776 -2.180 2.046) 4.817 11.474 ( -8.326 -4.807 2.675) 9.979 11.707 ( -7.466 -4.310 3.763) 9.406 11.793 ( -4.691 -2.709 -4.461) 7.017 12.304 ( -1.815 -1.048 1.201) 2.416 12.312 ( -2.341 -1.351 -1.533) 3.107 12.487 ( -0.135 -0.078 7.831) 7.833 12.607 ( 4.415 2.549 -5.403) 7.429 12.960 ( -2.471 -1.427 4.968) 5.729 13.108 ( -3.044 -1.758 -6.296) 7.211 13.170 ( -3.565 -2.058 0.107) 4.118 13.246 ( -1.724 -0.996 -6.082) 6.400 13.495 ( 0.464 0.268 5.498) 5.524 13.587 ( 1.744 1.007 1.338) 2.418 13.588 ( -2.519 -1.454 -4.384) 5.262 13.676 ( 3.890 2.246 -7.128) 8.425 13.935 ( -2.119 -1.224 8.639) 8.979 14.018 ( 1.737 1.003 8.443) 8.678 14.082 ( 1.989 1.148 -4.148) 4.741 14.182 ( -0.453 -0.262 -9.573) 9.587 14.332 ( -1.115 -0.644 6.693) 6.816 14.434 ( 2.590 1.495 -5.771) 6.499 14.446 ( -6.118 -3.532 3.272) 7.786 14.585 ( -6.463 -3.732 -10.915) 13.223 14.893 ( -2.270 -1.311 2.139) 3.383 14.961 ( 0.036 0.021 -5.045) 5.045 15.235 ( 0.358 0.207 0.868) 0.961 15.250 ( 0.277 0.160 0.261) 0.413 15.778 ( -2.788 -1.609 3.021) 4.414 15.823 ( -2.889 -1.668 -1.867) 3.823 16.544 ( 9.224 5.326 6.763) 12.617 16.591 ( 10.435 6.025 1.489) 12.141 16.876 ( 2.799 1.616 8.464) 9.060 17.045 ( 4.444 2.566 -5.111) 7.243 17.111 ( 1.092 0.631 4.984) 5.141 17.187 ( -0.304 -0.175 -6.259) 6.269 17.504 ( 0.471 0.272 1.424) 1.525 17.524 ( 1.042 0.602 -1.934) 2.278 18.062 ( -2.355 -1.360 2.270) 3.542 18.091 ( -2.265 -1.308 -0.652) 2.695 18.340 ( -1.070 -0.618 4.084) 4.266 18.472 ( 1.604 0.926 -11.154) 11.306 19.458 ( 0.093 0.054 2.744) 2.746 19.533 ( 0.848 0.490 -5.733) 5.816 19.903 ( 9.497 5.483 4.733) 11.944 19.971 ( 11.844 6.838 -1.870) 13.804 20.379 ( -0.748 -0.432 5.722) 5.786 20.476 ( -2.265 -1.307 -4.481) 5.188 24.101 ( -0.166 -0.096 14.377) 14.378 24.350 ( 0.927 0.535 -11.349) 11.400 26.009 ( -2.024 -1.169 8.869) 9.172 26.183 ( -4.315 -2.491 -8.944) 10.238 27.480 ( 4.432 2.559 1.021) 5.219 27.499 ( 4.783 2.762 -0.988) 5.611 28.417 ( 2.389 1.379 9.107) 9.515 28.599 ( 0.081 0.047 -9.582) 9.582 ======================= Grid point 271 (38/48) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.719 ( 21.831 12.604 4.986) 25.697 4.756 ( 25.406 14.668 -0.382) 29.339 4.968 ( 12.402 7.160 2.662) 14.566 5.120 ( 9.331 5.387 -10.120) 14.782 5.361 ( -1.470 -0.849 3.273) 3.687 5.442 ( -3.669 -2.118 -3.992) 5.821 5.767 ( -17.715 -10.228 -1.123) 20.487 5.775 ( -18.177 -10.494 -1.270) 21.027 6.211 ( -4.720 -2.725 0.706) 5.495 6.235 ( 0.696 0.402 -1.978) 2.135 6.996 ( -1.093 -0.631 2.745) 3.021 7.024 ( 2.446 1.412 -0.804) 2.937 7.230 ( -4.798 -2.770 9.498) 10.995 7.252 ( -1.295 -0.748 7.401) 7.551 7.543 ( 0.521 0.301 6.788) 6.815 7.767 ( 1.678 0.969 -14.500) 14.629 8.254 ( 1.876 1.083 3.064) 3.752 8.279 ( 4.478 2.585 0.314) 5.180 8.482 ( 7.735 4.466 -3.632) 9.642 8.548 ( 6.072 3.505 -9.823) 12.069 8.997 ( 6.301 3.638 5.679) 9.230 9.102 ( 2.080 1.201 -4.801) 5.368 9.119 ( -4.805 -2.774 1.462) 5.738 9.177 ( -2.791 -1.612 -5.464) 6.344 9.574 ( 6.656 3.843 1.728) 7.878 9.608 ( 3.951 2.281 -0.736) 4.622 10.085 ( -19.046 -10.996 9.654) 24.018 10.207 ( -2.862 -1.652 -3.883) 5.099 10.364 ( 5.428 3.134 2.416) 6.717 10.419 ( -0.947 -0.547 -3.217) 3.397 10.625 ( -11.432 -6.600 0.263) 13.204 10.690 ( -10.907 -6.297 -5.999) 13.950 11.029 ( 5.785 3.340 8.105) 10.503 11.145 ( 5.516 3.185 -2.121) 6.713 11.231 ( -9.983 -5.764 7.827) 13.934 11.319 ( -8.859 -5.115 -2.373) 10.502 11.743 ( 6.199 3.579 10.213) 12.472 11.879 ( 10.496 6.060 -2.960) 12.475 12.117 ( -9.514 -5.493 1.975) 11.162 12.150 ( -11.211 -6.472 -2.757) 13.235 12.557 ( 2.775 1.602 7.300) 7.972 12.703 ( 3.387 1.955 -7.869) 8.787 12.918 ( -1.093 -0.631 0.108) 1.267 12.955 ( -4.984 -2.878 -3.770) 6.880 13.242 ( 4.114 2.375 -2.726) 5.477 13.245 ( 0.615 0.355 -3.340) 3.415 13.452 ( -2.501 -1.444 1.517) 3.262 13.536 ( -1.550 -0.895 -6.445) 6.689 13.648 ( 1.574 0.909 4.303) 4.672 13.740 ( 1.382 0.798 -5.544) 5.769 13.892 ( -1.014 -0.585 14.048) 14.097 14.085 ( 2.743 1.584 6.144) 6.912 14.119 ( 1.024 0.591 -5.001) 5.139 14.191 ( 0.693 0.400 -6.058) 6.111 14.248 ( -3.703 -2.138 10.583) 11.414 14.412 ( 0.735 0.425 2.530) 2.668 14.418 ( -2.702 -1.560 -10.765) 11.208 14.564 ( 2.918 1.685 -13.481) 13.896 14.828 ( -2.457 -1.419 4.982) 5.733 14.918 ( -2.661 -1.536 -4.353) 5.328 15.248 ( 0.468 0.270 -0.242) 0.592 15.265 ( 0.632 0.365 -0.838) 1.111 15.727 ( -1.335 -0.771 0.883) 1.777 15.763 ( -1.728 -0.997 -3.056) 3.649 16.677 ( 2.538 1.465 14.144) 14.445 16.772 ( 4.798 2.770 5.218) 7.611 16.974 ( 5.421 3.130 5.483) 8.322 17.089 ( -3.036 -1.753 3.377) 4.868 17.112 ( 2.237 1.292 -7.672) 8.095 17.163 ( -1.927 -1.112 -6.142) 6.532 17.512 ( 0.285 0.164 1.631) 1.664 17.537 ( 0.284 0.164 -2.276) 2.299 18.012 ( -1.434 -0.828 2.010) 2.604 18.047 ( -1.197 -0.691 -1.597) 2.112 18.333 ( 0.003 0.002 6.626) 6.626 18.502 ( 0.744 0.430 -12.483) 12.513 19.458 ( 0.008 0.005 2.849) 2.849 19.544 ( 0.222 0.128 -6.763) 6.768 20.076 ( 5.006 2.890 9.470) 11.094 20.214 ( 9.419 5.438 -2.886) 11.253 20.345 ( -1.714 -0.990 1.901) 2.744 20.386 ( -5.816 -3.358 -3.893) 7.763 24.099 ( -0.062 -0.036 14.998) 14.999 24.364 ( 0.291 0.168 -12.310) 12.315 25.982 ( -0.532 -0.307 6.972) 6.999 26.121 ( -1.327 -0.766 -7.234) 7.394 27.553 ( 1.786 1.031 1.346) 2.463 27.579 ( 1.953 1.127 -1.306) 2.606 28.447 ( 0.496 0.287 7.367) 7.389 28.593 ( -0.337 -0.195 -7.602) 7.612 ======================= Grid point 278 (39/48) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 14.731 25.515 36.226) 46.694 2.607 ( 15.309 26.516 37.813) 48.655 3.192 ( 8.838 15.307 -41.839) 45.419 3.339 ( 11.116 19.253 -38.610) 44.553 4.200 ( 25.429 44.045 53.533) 73.840 5.147 ( 15.286 26.475 -39.850) 50.225 5.616 ( 2.800 4.850 13.252) 14.386 5.819 ( 1.340 2.321 -8.285) 8.707 5.979 ( 11.988 20.764 2.684) 24.126 6.143 ( 10.788 18.685 -10.520) 24.004 6.591 ( -3.457 -5.987 17.921) 19.209 6.961 ( -5.475 -9.484 -20.125) 22.912 7.693 ( -4.506 -7.804 11.006) 14.224 7.838 ( -0.172 -0.298 6.340) 6.349 7.852 ( -8.387 -14.527 -0.806) 16.794 7.986 ( -1.395 -2.417 -8.842) 9.272 8.040 ( -1.666 -2.885 2.388) 4.099 8.187 ( 0.825 1.429 -10.658) 10.785 8.670 ( -9.600 -16.628 10.617) 21.940 8.779 ( -5.040 -8.730 -0.929) 10.123 8.965 ( -1.304 -2.259 2.956) 3.942 9.047 ( -2.675 -4.634 -5.290) 7.524 9.108 ( 0.365 0.633 8.705) 8.736 9.333 ( -1.711 -2.963 -13.950) 14.364 9.875 ( -2.194 -3.800 16.338) 16.917 10.107 ( -6.695 -11.596 -6.425) 14.852 10.515 ( -0.640 -1.108 5.679) 5.821 10.583 ( -5.500 -9.527 4.590) 11.920 10.588 ( -0.036 -0.063 -0.411) 0.418 10.672 ( -6.223 -10.779 -4.141) 13.117 11.001 ( -0.518 -0.898 2.637) 2.834 11.102 ( -0.145 -0.251 -7.291) 7.296 11.472 ( -3.241 -5.613 11.634) 13.317 11.662 ( -0.456 -0.790 -4.063) 4.164 11.708 ( 1.501 2.600 4.613) 5.504 11.825 ( 0.099 0.172 -7.321) 7.324 11.973 ( -2.576 -4.463 1.907) 5.494 12.156 ( 0.231 0.400 -12.482) 12.490 12.368 ( -5.587 -9.678 4.027) 11.878 12.458 ( -5.154 -8.927 -5.150) 11.523 12.617 ( -0.782 -1.355 6.771) 6.950 12.773 ( 0.125 0.216 -7.519) 7.523 12.912 ( -2.430 -4.209 8.004) 9.365 13.042 ( -2.972 -5.147 -5.387) 8.022 13.161 ( 2.270 3.932 7.252) 8.556 13.333 ( 3.225 5.586 -9.685) 11.637 13.648 ( -3.540 -6.132 8.344) 10.944 13.741 ( -3.314 -5.740 -1.640) 6.828 13.786 ( -2.288 -3.963 2.533) 5.231 13.858 ( -1.479 -2.562 -4.362) 5.271 13.905 ( 0.318 0.551 2.217) 2.306 14.040 ( 0.809 1.401 -10.700) 10.822 14.248 ( -4.245 -7.352 6.775) 10.861 14.276 ( -2.705 -4.685 4.600) 7.101 14.365 ( -3.707 -6.421 -4.490) 8.668 14.394 ( -4.638 -8.033 -7.976) 12.234 14.691 ( -1.617 -2.800 3.618) 4.852 14.787 ( -0.143 -0.248 -5.716) 5.723 14.972 ( 1.363 2.360 3.624) 4.534 15.032 ( 1.472 2.549 -2.862) 4.106 15.289 ( -2.775 -4.806 8.948) 10.529 15.385 ( -2.667 -4.619 0.579) 5.364 15.619 ( 2.971 5.146 20.674) 21.511 15.810 ( 5.639 9.768 11.331) 15.987 16.010 ( 0.954 1.652 -19.526) 19.619 16.098 ( 5.241 9.077 -16.322) 19.397 16.531 ( 7.741 13.408 6.136) 16.654 16.625 ( 7.204 12.477 -3.043) 14.725 17.071 ( -0.336 -0.583 6.833) 6.866 17.208 ( 0.273 0.473 -7.476) 7.496 17.282 ( 3.750 6.494 2.851) 8.023 17.369 ( 3.645 6.313 -5.431) 9.090 17.975 ( 2.772 4.800 6.339) 8.421 18.088 ( 1.375 2.382 -4.795) 5.527 18.612 ( -6.357 -11.011 4.189) 13.387 18.702 ( -7.583 -13.134 -4.892) 15.935 19.278 ( 5.725 9.916 7.294) 13.576 19.412 ( 4.359 7.549 -6.491) 10.868 19.427 ( 1.261 2.185 3.616) 4.409 19.533 ( 2.150 3.724 -6.804) 8.049 20.334 ( 0.662 1.147 9.298) 9.392 20.469 ( 0.654 1.133 -4.922) 5.093 24.123 ( -0.528 -0.915 9.932) 9.988 24.284 ( 0.657 1.138 -7.223) 7.341 26.329 ( -7.882 -13.651 18.303) 24.156 26.620 ( -7.628 -13.212 -12.484) 19.712 27.236 ( 2.450 4.243 0.185) 4.903 27.239 ( 2.498 4.326 -0.185) 4.999 28.048 ( 7.613 13.186 13.651) 20.450 28.359 ( 7.440 12.886 -19.237) 24.320 ======================= Grid point 279 (40/48) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 24.672 30.282 22.209) 44.933 3.205 ( 24.169 25.400 28.545) 45.212 3.594 ( 17.331 20.953 -32.158) 42.114 3.791 ( 19.305 19.061 -31.291) 41.414 5.088 ( 28.499 35.691 37.037) 58.803 5.647 ( 11.512 19.238 -15.317) 27.153 5.741 ( 8.204 3.500 9.362) 12.931 5.884 ( 6.488 0.149 -4.351) 7.813 6.342 ( 0.578 11.999 3.169) 12.424 6.452 ( -2.454 6.031 4.126) 7.709 6.626 ( 17.874 15.455 -9.631) 25.516 6.810 ( 3.815 -6.675 -15.100) 16.944 7.458 ( -10.834 -9.284 5.094) 15.149 7.534 ( -12.786 -9.863 -2.328) 16.315 7.780 ( -3.478 -7.973 4.707) 9.890 7.882 ( -6.000 -4.673 -4.917) 9.056 8.031 ( 0.571 -2.090 6.124) 6.496 8.183 ( -5.471 2.478 -7.261) 9.423 8.365 ( -3.882 -15.610 9.741) 18.805 8.580 ( -6.272 -12.199 -10.356) 17.187 8.893 ( -6.367 0.079 0.703) 6.406 8.925 ( -2.188 -2.048 -3.805) 4.843 9.150 ( 4.517 -2.406 7.084) 8.739 9.326 ( -1.136 5.022 -9.008) 10.375 9.735 ( -4.709 -12.952 8.727) 16.313 9.856 ( -6.699 -13.064 -3.511) 15.096 10.421 ( -8.413 2.576 5.165) 10.203 10.467 ( -7.454 0.602 1.102) 7.559 10.558 ( 2.515 -1.414 4.281) 5.163 10.640 ( 2.326 2.303 -2.022) 3.847 10.944 ( -0.996 -7.742 2.409) 8.169 11.012 ( -4.606 -8.950 -4.499) 11.025 11.352 ( -3.982 -9.429 8.060) 13.028 11.518 ( -9.753 -8.127 -6.485) 14.255 11.653 ( -4.299 -4.518 6.029) 8.674 11.749 ( -8.866 0.050 -2.873) 9.320 11.977 ( 4.578 -3.145 5.133) 7.563 12.160 ( -5.487 3.528 -10.803) 12.620 12.248 ( -2.108 -1.118 2.897) 3.754 12.347 ( -1.087 -1.152 -6.859) 7.040 12.547 ( -5.943 2.407 6.463) 9.104 12.663 ( -11.522 2.319 -5.039) 12.788 12.895 ( 6.359 -7.718 6.564) 11.962 13.000 ( 5.210 -7.874 -3.251) 9.986 13.233 ( 2.857 -0.529 6.288) 6.927 13.389 ( -0.586 -0.006 -7.964) 7.986 13.497 ( -5.274 -7.822 5.570) 10.955 13.586 ( -6.455 -5.048 -2.845) 8.674 13.696 ( -2.983 -3.914 2.801) 5.662 13.781 ( -5.461 0.499 -5.096) 7.486 13.925 ( 0.997 0.286 5.528) 5.624 14.051 ( -1.376 1.025 -6.711) 6.927 14.112 ( -5.095 -5.648 3.620) 8.424 14.198 ( -0.586 -3.931 -3.969) 5.617 14.243 ( 0.252 -8.871 -0.992) 8.930 14.292 ( 1.837 -7.751 -4.982) 9.396 14.682 ( 0.599 -0.707 3.843) 3.953 14.806 ( -0.294 1.055 -8.019) 8.094 14.978 ( -6.003 6.320 3.563) 9.416 15.052 ( -5.675 6.871 -3.729) 9.660 15.208 ( 1.673 -6.089 4.622) 7.826 15.276 ( -2.137 -3.690 -1.868) 4.655 15.725 ( 5.392 -0.812 14.528) 15.517 15.953 ( -3.204 7.371 0.458) 8.050 16.106 ( 12.252 2.130 -0.508) 12.446 16.303 ( 7.175 10.974 -11.510) 17.446 16.776 ( 6.810 7.453 5.640) 11.564 16.839 ( 5.179 10.088 0.322) 11.345 17.062 ( 0.233 0.219 7.509) 7.516 17.211 ( -0.998 1.312 -8.055) 8.221 17.399 ( 4.529 1.490 2.585) 5.423 17.482 ( 2.892 4.875 -4.502) 7.239 18.052 ( 2.258 0.955 5.089) 5.649 18.138 ( 0.891 3.148 -3.334) 4.671 18.422 ( -4.427 -9.016 1.507) 10.157 18.499 ( -4.862 -4.897 -6.413) 9.420 19.448 ( 0.320 1.778 4.933) 5.253 19.494 ( 4.565 9.921 2.336) 11.167 19.591 ( 6.729 7.010 -3.497) 10.327 19.615 ( 6.687 4.102 -5.250) 9.440 20.357 ( 1.068 0.207 8.831) 8.898 20.490 ( 0.609 0.570 -5.162) 5.229 24.110 ( -0.315 -0.323 12.302) 12.310 24.312 ( 1.097 1.334 -8.926) 9.092 26.130 ( -4.954 -5.618 14.370) 16.205 26.389 ( -7.049 -8.115 -12.340) 16.365 27.339 ( 3.765 5.747 0.322) 6.878 27.345 ( 4.029 5.719 -0.320) 7.003 28.260 ( 6.065 6.101 12.762) 15.390 28.529 ( 3.796 3.315 -15.037) 15.859 ======================= Grid point 280 (41/48) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( 27.490 28.136 11.759) 41.057 3.873 ( 26.142 22.946 17.217) 38.812 4.155 ( 23.337 21.872 -18.390) 36.894 4.331 ( 23.575 16.417 -22.452) 36.461 5.601 ( 1.672 10.990 13.616) 17.577 5.749 ( -5.154 -1.417 -2.276) 5.809 5.973 ( 10.955 -2.702 4.830) 12.274 6.064 ( 5.741 1.888 -1.857) 6.323 6.270 ( -4.281 3.075 11.159) 12.341 6.414 ( -8.248 9.066 -2.425) 12.494 6.924 ( 7.367 -1.545 0.789) 7.569 7.033 ( 2.892 -2.268 -7.139) 8.030 7.257 ( -1.998 -0.357 6.233) 6.555 7.402 ( 4.032 8.560 -9.482) 13.395 7.564 ( -9.548 -7.797 10.148) 15.967 7.728 ( -4.480 -4.032 -6.111) 8.583 8.013 ( 1.701 0.706 1.994) 2.714 8.113 ( -1.093 1.529 -7.000) 7.248 8.265 ( 3.806 -9.042 4.782) 10.914 8.417 ( -0.271 -6.745 -10.825) 12.757 8.825 ( -0.889 0.568 3.148) 3.320 8.928 ( 3.804 -2.942 -8.336) 9.623 9.192 ( 1.730 -2.775 6.224) 7.030 9.316 ( -5.044 2.647 -3.068) 6.470 9.545 ( -1.567 -12.074 1.815) 12.310 9.656 ( -4.130 -7.251 -7.606) 11.291 10.324 ( -8.581 5.322 5.652) 11.572 10.373 ( -6.464 5.750 0.704) 8.680 10.584 ( -4.559 -8.420 4.459) 10.563 10.618 ( 0.588 -3.651 1.047) 3.844 10.826 ( -0.456 -9.672 5.589) 11.180 10.898 ( -0.995 0.135 -0.251) 1.035 11.156 ( -7.770 -7.641 6.666) 12.775 11.284 ( -9.042 -4.007 -5.758) 11.444 11.544 ( -5.466 -0.482 2.047) 5.857 11.589 ( -8.119 -0.132 -2.011) 8.365 11.900 ( -11.537 -1.600 3.298) 12.105 11.970 ( -17.315 2.554 -2.773) 17.721 12.296 ( 2.038 5.055 1.694) 5.707 12.344 ( -0.601 2.301 -3.527) 4.254 12.519 ( -5.425 -2.318 1.772) 6.160 12.550 ( 2.967 1.399 -2.497) 4.123 12.916 ( 3.114 -7.773 7.388) 11.167 13.034 ( 7.306 -6.045 -1.890) 9.669 13.193 ( -1.991 -7.360 -0.211) 7.628 13.272 ( -7.695 -5.700 -7.191) 11.976 13.423 ( 4.002 -3.881 4.550) 7.195 13.516 ( 2.646 -4.362 -4.136) 6.568 13.628 ( -1.592 -1.606 2.532) 3.395 13.710 ( -4.221 2.771 -4.858) 7.007 13.934 ( -0.171 -1.879 5.014) 5.358 13.988 ( -1.804 -4.311 5.599) 7.293 14.045 ( 1.383 -3.908 -4.948) 6.455 14.122 ( -0.407 -6.073 -4.736) 7.712 14.233 ( 3.919 -5.758 -0.906) 7.023 14.276 ( 4.250 -7.193 -2.797) 8.810 14.642 ( -5.781 1.382 1.760) 6.199 14.749 ( -7.459 3.370 -7.983) 11.433 14.942 ( -3.839 3.415 3.183) 6.044 15.017 ( -3.798 5.874 -3.652) 7.891 15.219 ( 1.268 -0.213 2.468) 2.783 15.270 ( 1.604 1.919 -2.394) 3.462 15.763 ( 1.220 -2.391 7.736) 8.188 15.905 ( -5.715 1.112 -5.650) 8.113 16.379 ( 13.430 5.447 9.738) 17.461 16.541 ( 7.925 10.528 -4.834) 14.036 16.878 ( 0.482 3.709 7.308) 8.210 16.989 ( 3.697 3.986 0.492) 5.459 17.105 ( 3.000 2.010 3.100) 4.759 17.201 ( -1.473 1.045 -7.014) 7.243 17.458 ( 2.508 -0.982 3.447) 4.375 17.553 ( 0.280 4.157 -4.573) 6.187 18.059 ( -0.704 -2.286 5.894) 6.360 18.149 ( -2.654 1.936 -3.196) 4.583 18.309 ( -0.057 -6.337 3.085) 7.048 18.437 ( 1.055 -2.438 -10.717) 11.041 19.460 ( -0.086 0.828 5.430) 5.494 19.570 ( -1.376 4.915 -6.163) 8.002 19.812 ( 9.307 7.794 1.737) 12.263 19.844 ( 11.043 7.957 -1.287) 13.672 20.367 ( 0.593 -1.403 7.524) 7.676 20.490 ( -0.798 -0.902 -5.219) 5.357 24.104 ( -0.199 -0.112 13.926) 13.928 24.341 ( 0.935 0.976 -10.731) 10.816 26.035 ( -2.507 -1.973 10.047) 10.541 26.229 ( -4.747 -4.377 -9.882) 11.805 27.464 ( 3.432 6.825 0.624) 7.665 27.476 ( 3.898 6.747 -0.611) 7.816 28.372 ( 3.500 0.898 10.009) 10.641 28.574 ( 1.286 -1.622 -10.726) 10.924 ======================= Grid point 281 (42/48) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.468 ( 24.314 18.059 7.459) 31.192 4.518 ( 23.233 22.085 2.726) 32.171 4.748 ( 22.564 15.422 -4.238) 27.658 4.883 ( 23.437 12.887 -13.247) 29.847 5.495 ( -12.597 -5.236 4.921) 14.502 5.559 ( -10.633 -4.586 -1.530) 11.680 5.901 ( -9.201 -6.472 3.863) 11.894 5.991 ( -12.306 -5.556 -4.327) 14.178 6.256 ( -2.381 2.556 4.691) 5.849 6.354 ( -9.716 3.279 -4.899) 11.364 6.919 ( 3.400 -5.441 5.067) 8.176 6.991 ( -0.151 -3.073 -1.598) 3.467 7.263 ( -4.190 -3.587 9.910) 11.341 7.301 ( -4.324 -2.153 7.168) 8.644 7.567 ( -0.229 3.616 3.879) 5.308 7.746 ( 3.119 1.714 -11.655) 12.186 8.157 ( 9.714 3.296 3.724) 10.913 8.249 ( 6.547 6.292 -4.437) 10.106 8.312 ( 11.302 -3.834 -1.134) 11.988 8.422 ( 6.302 -2.673 -11.228) 13.150 8.857 ( 6.196 -5.714 2.564) 8.810 8.958 ( 6.168 -7.836 -7.645) 12.565 9.114 ( -3.194 -8.564 5.384) 10.608 9.256 ( -5.480 -2.662 -7.195) 9.428 9.463 ( 4.332 -2.511 6.511) 8.214 9.627 ( 1.906 6.923 -9.445) 11.865 10.222 ( -6.821 -9.141 5.810) 12.800 10.261 ( -8.858 -6.853 0.903) 11.236 10.435 ( -3.469 14.001 6.934) 16.004 10.563 ( -6.743 5.581 -4.799) 9.982 10.756 ( -7.097 0.095 6.994) 9.964 10.864 ( -6.304 0.840 -2.027) 6.675 11.023 ( -1.713 0.225 8.334) 8.511 11.167 ( -3.763 3.664 -5.972) 7.953 11.399 ( -12.933 -1.015 3.683) 13.486 11.448 ( -11.129 -0.346 -0.589) 11.150 11.729 ( -2.869 4.255 6.068) 7.947 11.832 ( 0.328 4.982 -3.643) 6.181 12.242 ( -8.742 -3.485 2.377) 9.707 12.271 ( -9.320 -4.014 -0.510) 10.160 12.506 ( 3.928 1.270 7.040) 8.161 12.643 ( 5.819 1.534 -7.184) 9.371 12.856 ( 1.106 -8.636 3.827) 9.511 13.007 ( -5.363 -7.585 -9.865) 13.551 13.165 ( 6.078 0.387 0.092) 6.091 13.196 ( 3.423 -3.468 -3.395) 5.939 13.443 ( 1.371 -4.251 2.494) 5.115 13.525 ( 1.880 -3.519 -5.232) 6.579 13.631 ( 4.208 -1.656 5.036) 6.768 13.699 ( 1.479 -0.799 -1.653) 2.358 13.847 ( -2.784 -6.815 3.276) 8.058 13.949 ( 3.810 -13.719 -2.913) 14.533 14.030 ( 3.862 -3.768 3.057) 6.202 14.120 ( 3.218 -1.623 -3.373) 4.936 14.229 ( 1.256 -3.983 1.341) 4.386 14.267 ( 2.518 -6.962 0.036) 7.404 14.568 ( -4.436 3.258 -0.515) 5.528 14.684 ( -5.750 7.450 -11.586) 14.926 14.903 ( -4.648 3.402 6.809) 8.919 15.022 ( -4.033 7.186 -5.288) 9.791 15.225 ( -0.447 0.472 4.788) 4.832 15.332 ( -0.093 6.559 -5.800) 8.756 15.740 ( -1.106 -1.355 2.671) 3.193 15.811 ( -4.840 -0.515 -4.716) 6.777 16.620 ( 8.284 4.222 13.865) 16.694 16.744 ( 4.902 7.490 3.357) 9.560 16.929 ( 2.559 3.414 5.851) 7.241 17.046 ( 2.076 -1.082 0.200) 2.349 17.151 ( -0.287 1.148 -6.744) 6.847 17.180 ( -1.911 -0.043 -3.876) 4.321 17.478 ( 1.390 -1.044 4.430) 4.759 17.582 ( -1.313 4.041 -4.610) 6.269 18.006 ( -1.562 -2.942 5.914) 6.787 18.107 ( -3.647 1.490 -4.402) 5.907 18.279 ( 2.650 -5.352 6.026) 8.483 18.452 ( 3.139 -3.337 -12.618) 13.424 19.464 ( -0.372 0.934 5.420) 5.512 19.585 ( -1.884 4.153 -7.525) 8.799 20.021 ( 6.855 6.319 5.881) 11.023 20.101 ( 10.397 6.342 -1.855) 12.319 20.344 ( -0.771 -3.083 4.647) 5.630 20.437 ( -3.637 -2.723 -4.995) 6.752 24.100 ( -0.130 -0.047 14.803) 14.804 24.360 ( 0.457 0.434 -12.016) 12.033 25.995 ( -1.151 -0.254 7.331) 7.425 26.141 ( -2.304 -1.725 -7.603) 8.129 27.572 ( 0.991 6.874 1.004) 7.018 27.592 ( 1.438 6.778 -0.980) 6.998 28.409 ( 2.206 -2.403 7.657) 8.323 28.561 ( 1.080 -4.091 -7.931) 8.989 ======================= Grid point 282 (43/48) ======================= q-point: ( 0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.911 ( -1.272 2.202 8.375) 8.753 4.956 ( 1.432 -2.480 -0.195) 2.870 5.022 ( -2.366 4.097 -1.358) 4.922 5.026 ( 0.967 -1.675 -7.403) 7.652 5.415 ( 1.988 -3.443 6.835) 7.907 5.539 ( -0.959 1.662 -5.426) 5.755 5.615 ( -2.311 4.002 0.074) 4.622 5.697 ( -4.144 7.178 -6.465) 10.512 6.229 ( -1.790 3.100 3.058) 4.708 6.299 ( -4.222 7.313 -3.709) 9.223 6.908 ( 4.455 -7.717 3.907) 9.729 6.977 ( 3.132 -5.424 -2.964) 6.929 7.194 ( 0.051 -0.087 12.497) 12.497 7.275 ( -1.478 2.561 4.554) 5.430 7.574 ( -1.245 2.156 5.949) 6.449 7.779 ( 0.146 -0.253 -13.424) 13.428 8.241 ( 0.703 -1.217 6.956) 7.097 8.338 ( -1.607 2.784 -3.487) 4.742 8.425 ( 4.888 -8.466 -2.225) 10.026 8.530 ( 3.492 -6.049 -11.693) 13.620 8.885 ( 8.055 -13.952 5.699) 17.089 8.994 ( 4.585 -7.941 3.123) 9.687 9.040 ( 5.522 -9.565 -9.251) 14.407 9.095 ( 4.523 -7.834 -7.274) 11.608 9.587 ( -0.964 1.670 8.896) 9.102 9.762 ( -5.186 8.982 -8.459) 13.384 9.970 ( -1.519 2.632 12.124) 12.499 10.146 ( 0.931 -1.612 -5.596) 5.897 10.548 ( -8.217 14.233 5.093) 17.206 10.602 ( -3.627 6.282 5.158) 8.901 10.635 ( -8.348 14.460 -3.360) 17.031 10.713 ( -4.205 7.284 -5.647) 10.130 11.058 ( 1.005 -1.741 8.334) 8.573 11.200 ( -3.251 5.631 8.315) 10.555 11.232 ( -0.339 0.587 -9.432) 9.456 11.284 ( -3.602 6.239 1.055) 7.281 11.795 ( -0.318 0.551 13.629) 13.644 12.017 ( 0.640 -1.109 -9.326) 9.414 12.026 ( -1.318 2.283 5.341) 5.956 12.093 ( -2.115 3.663 -2.193) 4.764 12.554 ( 0.841 -1.456 7.850) 8.028 12.729 ( -0.136 0.235 -10.237) 10.241 12.814 ( 4.638 -8.034 2.000) 9.490 12.900 ( 2.064 -3.575 -6.255) 7.494 13.204 ( 2.244 -3.886 0.142) 4.489 13.263 ( 1.098 -1.901 -5.413) 5.841 13.412 ( 0.886 -1.535 3.044) 3.522 13.517 ( 0.538 -0.932 -6.289) 6.381 13.688 ( -1.287 2.228 2.455) 3.557 13.724 ( 8.717 -15.099 10.475) 20.339 13.756 ( -0.216 0.374 -4.172) 4.194 13.900 ( 11.096 -19.219 -5.254) 22.805 14.056 ( 2.215 -3.837 4.722) 6.475 14.150 ( 2.281 -3.951 -5.336) 7.021 14.212 ( 0.942 -1.631 4.260) 4.658 14.247 ( 2.815 -4.875 1.856) 5.927 14.552 ( -2.061 3.570 -1.236) 4.304 14.682 ( -3.799 6.580 -13.902) 15.843 14.873 ( -3.620 6.270 8.660) 11.288 15.019 ( -5.928 10.268 -6.528) 13.534 15.222 ( 0.011 -0.018 6.718) 6.718 15.368 ( -3.940 6.825 -7.906) 11.163 15.720 ( -0.055 0.095 0.993) 0.999 15.763 ( -0.417 0.722 -3.760) 3.852 16.707 ( -0.638 1.106 17.046) 17.094 16.836 ( -1.974 3.419 6.722) 7.796 16.982 ( 1.875 -3.248 9.093) 9.836 17.072 ( -0.917 1.588 -1.074) 2.125 17.134 ( 0.140 -0.243 -6.844) 6.850 17.149 ( -0.359 0.622 -11.752) 11.774 17.486 ( 0.665 -1.151 5.013) 5.186 17.591 ( -2.176 3.768 -4.428) 6.208 17.975 ( 0.956 -1.655 5.893) 6.196 18.079 ( -1.513 2.621 -4.910) 5.768 18.277 ( 3.100 -5.369 7.093) 9.420 18.463 ( 2.487 -4.307 -13.079) 13.993 19.465 ( -0.559 0.968 5.392) 5.506 19.589 ( -2.257 3.909 -7.880) 9.081 20.127 ( -1.167 2.021 10.202) 10.465 20.284 ( 1.349 -2.337 3.302) 4.264 20.317 ( 0.972 -1.684 -0.159) 1.951 20.320 ( -0.456 0.790 -9.515) 9.559 24.099 ( -0.012 0.020 15.065) 15.065 24.366 ( -0.028 0.049 -12.459) 12.459 25.985 ( -0.297 0.514 6.447) 6.475 26.114 ( 0.003 -0.006 -6.747) 6.747 27.617 ( -3.047 5.278 1.197) 6.210 27.640 ( -2.912 5.044 -1.169) 5.941 28.414 ( 2.050 -3.551 6.760) 7.906 28.548 ( 2.482 -4.298 -6.957) 8.546 ======================= Grid point 291 (44/48) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( 20.633 35.738 13.725) 43.489 3.742 ( 16.712 28.947 22.256) 40.156 4.074 ( 15.870 27.488 -23.606) 39.556 4.195 ( 12.678 21.959 -24.649) 35.362 5.701 ( 13.029 22.567 22.561) 34.468 5.772 ( 0.051 0.088 3.407) 3.409 5.817 ( -3.073 -5.322 -1.256) 6.273 5.998 ( 6.933 12.008 -5.127) 14.783 6.349 ( -2.548 -4.414 12.968) 13.934 6.609 ( -3.657 -6.335 -12.836) 14.774 6.749 ( 9.966 17.261 7.770) 21.392 6.984 ( 4.030 6.981 -11.969) 14.430 7.307 ( -3.166 -5.484 4.149) 7.570 7.419 ( 1.882 3.260 -9.975) 10.661 7.610 ( -5.712 -9.894 9.618) 14.934 7.734 ( -4.919 -8.520 -3.736) 10.523 8.018 ( 0.390 0.676 12.456) 12.480 8.116 ( -4.016 -6.956 3.847) 8.906 8.227 ( 0.495 0.857 -7.358) 7.424 8.328 ( -6.327 -10.959 -16.188) 20.547 8.843 ( -2.576 -4.462 -4.020) 6.535 8.895 ( -0.660 -1.143 -8.885) 8.982 9.146 ( 0.359 0.623 15.446) 15.462 9.412 ( 0.480 0.832 -11.800) 11.839 9.459 ( -6.442 -11.158 9.160) 15.809 9.649 ( -3.982 -6.898 -10.161) 12.911 10.461 ( -5.208 -9.020 7.084) 12.596 10.506 ( 2.930 5.075 6.620) 8.841 10.551 ( -7.680 -13.301 -2.998) 15.649 10.557 ( 2.942 5.096 0.875) 5.949 10.774 ( -2.304 -3.991 8.983) 10.096 10.906 ( 1.672 2.895 -2.811) 4.368 11.178 ( -5.115 -8.860 9.805) 14.171 11.347 ( -5.165 -8.946 -6.089) 11.991 11.579 ( -1.564 -2.710 2.152) 3.798 11.682 ( -2.849 -4.934 -7.971) 9.798 11.963 ( 0.095 0.164 12.655) 12.656 12.212 ( -0.533 -0.922 -11.885) 11.932 12.297 ( 1.473 2.552 1.860) 3.485 12.360 ( 1.412 2.445 -4.473) 5.289 12.589 ( 0.702 1.217 6.358) 6.511 12.701 ( -1.832 -3.173 -4.218) 5.587 12.725 ( -3.168 -5.487 4.573) 7.814 12.819 ( -3.686 -6.384 -5.036) 8.928 13.171 ( -3.674 -6.363 7.185) 10.277 13.340 ( -2.859 -4.953 -9.301) 10.918 13.340 ( -4.048 -7.011 7.090) 10.761 13.472 ( -3.497 -6.057 -5.954) 9.185 13.624 ( -1.870 -3.239 7.992) 8.824 13.778 ( -0.950 -1.645 -6.793) 7.054 13.916 ( -1.116 -1.933 5.534) 5.967 13.995 ( -3.810 -6.599 -0.894) 7.672 14.008 ( -2.376 -4.116 3.661) 5.999 14.135 ( -1.259 -2.180 -1.139) 2.763 14.145 ( -1.461 -2.531 -10.354) 10.758 14.173 ( -0.906 -1.570 -4.518) 4.868 14.679 ( -0.385 -0.667 4.078) 4.150 14.822 ( -0.313 -0.542 -10.386) 10.404 15.062 ( -2.145 -3.715 7.568) 8.700 15.108 ( 2.387 4.135 6.214) 7.837 15.207 ( 3.502 6.065 -4.244) 8.188 15.216 ( -0.061 -0.105 -8.257) 8.258 15.732 ( 0.455 0.787 11.975) 12.009 15.978 ( -1.630 -2.824 -13.492) 13.880 16.270 ( 7.159 12.399 16.868) 22.125 16.521 ( 6.447 11.167 -7.716) 15.026 16.892 ( 2.431 4.211 5.891) 7.638 17.013 ( 4.016 6.956 -3.844) 8.905 17.057 ( -0.177 -0.307 9.606) 9.612 17.231 ( 0.184 0.319 -8.419) 8.427 17.424 ( 0.836 1.447 5.855) 6.089 17.577 ( 2.600 4.504 -7.183) 8.868 18.050 ( -0.568 -0.984 7.962) 8.042 18.198 ( 1.221 2.115 -7.092) 7.501 18.259 ( -4.033 -6.986 5.533) 9.782 18.412 ( -2.421 -4.193 -10.629) 11.679 19.469 ( 0.492 0.852 8.238) 8.296 19.630 ( 1.232 2.134 -8.567) 8.915 19.742 ( 6.995 12.115 2.648) 14.238 19.792 ( 6.298 10.908 -2.468) 12.835 20.352 ( -0.439 -0.760 8.677) 8.721 20.491 ( -0.380 -0.659 -5.795) 5.845 24.105 ( -0.108 -0.188 13.737) 13.739 24.338 ( 0.723 1.252 -10.485) 10.585 26.047 ( -1.704 -2.952 10.476) 11.016 26.249 ( -3.472 -6.013 -10.203) 12.341 27.473 ( 4.433 7.679 0.388) 8.875 27.480 ( 4.583 7.938 -0.394) 9.175 28.343 ( 1.278 2.214 10.278) 10.591 28.550 ( -0.552 -0.956 -11.109) 11.164 ======================= Grid point 292 (45/48) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.295 ( 18.680 22.466 14.280) 32.521 4.401 ( 20.656 29.812 6.908) 36.921 4.596 ( 14.963 20.449 -14.652) 29.270 4.659 ( 20.223 19.021 -16.061) 32.074 5.603 ( -9.640 -11.882 6.037) 16.448 5.686 ( -8.046 -3.558 -2.275) 9.087 5.933 ( 1.044 -0.183 10.158) 10.213 6.087 ( -3.852 -0.660 -4.133) 5.689 6.313 ( -0.144 1.591 9.088) 9.227 6.515 ( -4.203 1.815 -10.656) 11.598 6.862 ( -3.695 -6.952 6.386) 10.137 6.984 ( -2.376 -2.771 -5.616) 6.698 7.323 ( 1.003 7.113 11.128) 13.245 7.377 ( -9.521 -1.520 10.247) 14.070 7.574 ( 2.682 -1.106 -0.424) 2.932 7.643 ( 6.483 -4.668 -4.657) 9.247 8.057 ( 3.280 -0.192 -0.904) 3.407 8.116 ( 6.083 2.152 5.401) 8.414 8.199 ( 2.980 0.170 -13.198) 13.532 8.309 ( 4.998 -0.148 -8.593) 9.942 8.741 ( -1.693 -9.214 -3.243) 9.913 8.844 ( -1.400 -6.452 -12.240) 13.907 9.076 ( -4.407 -11.072 11.525) 16.578 9.291 ( -7.625 -12.196 -10.529) 17.825 9.404 ( 3.958 4.541 10.867) 12.425 9.660 ( 4.371 9.945 -14.519) 18.133 10.215 ( -5.374 -10.999 7.561) 14.389 10.303 ( -5.908 -9.380 -2.208) 11.303 10.618 ( -0.076 11.252 7.734) 13.654 10.688 ( 1.537 11.134 1.199) 11.303 10.821 ( 2.199 5.587 13.132) 14.440 10.985 ( -1.853 5.772 -1.403) 6.222 11.040 ( -2.424 -2.659 8.446) 9.181 11.205 ( -2.363 -3.162 -6.631) 7.717 11.535 ( -2.233 -0.232 0.360) 2.274 11.606 ( -4.341 1.062 -5.478) 7.070 11.899 ( -7.633 -0.112 10.651) 13.104 12.049 ( -18.210 3.860 -4.186) 19.079 12.306 ( -1.697 -4.587 1.804) 5.213 12.365 ( -4.053 -2.487 -3.823) 6.102 12.518 ( -6.914 2.914 3.475) 8.268 12.591 ( -0.322 3.514 -3.692) 5.107 12.736 ( 3.851 -9.143 4.707) 10.981 12.842 ( 12.046 -12.535 -5.160) 18.135 13.044 ( 2.669 -9.514 2.683) 10.240 13.178 ( -6.813 -4.808 -9.701) 12.793 13.291 ( 4.416 -7.010 4.845) 9.598 13.413 ( 3.323 -5.420 -6.620) 9.178 13.559 ( -1.690 -4.575 8.327) 9.650 13.716 ( -3.077 -2.733 -6.685) 7.851 13.829 ( -3.263 -7.948 1.601) 8.739 13.862 ( -3.551 -6.952 -0.826) 7.850 13.980 ( 0.468 0.241 4.642) 4.672 14.079 ( -0.809 -0.989 -2.888) 3.158 14.143 ( 3.186 -4.914 -2.438) 6.343 14.182 ( 1.725 -1.707 -4.179) 4.832 14.640 ( -2.553 -1.074 3.532) 4.489 14.790 ( -2.372 0.401 -11.780) 12.024 15.021 ( -3.008 4.563 10.185) 11.559 15.160 ( -1.708 7.470 3.691) 8.505 15.252 ( 0.161 4.277 -4.344) 6.098 15.349 ( 5.315 5.599 -7.091) 10.483 15.737 ( 0.024 -0.634 6.229) 6.261 15.894 ( -5.032 -2.182 -9.971) 11.380 16.516 ( 9.154 7.964 17.534) 21.323 16.722 ( 5.813 7.602 1.072) 9.629 16.949 ( 0.830 3.760 1.218) 4.039 17.035 ( -1.164 0.382 7.362) 7.463 17.125 ( 3.101 0.932 -8.424) 9.025 17.220 ( -1.526 0.159 -7.357) 7.515 17.456 ( 1.245 1.127 8.672) 8.833 17.645 ( -0.142 4.971 -8.021) 9.437 18.014 ( -1.954 -2.162 9.884) 10.305 18.154 ( -0.518 -4.762 5.169) 7.047 18.206 ( -2.135 -0.816 -6.561) 6.947 18.353 ( 1.978 -5.900 -12.200) 13.695 19.484 ( -0.088 1.516 9.343) 9.465 19.659 ( -1.067 3.958 -8.936) 9.831 19.968 ( 7.300 7.896 2.641) 11.073 20.012 ( 7.960 8.864 -1.851) 12.056 20.325 ( -0.793 -2.702 7.542) 8.051 20.459 ( -1.952 -2.325 -6.083) 6.799 24.102 ( -0.121 -0.106 14.633) 14.634 24.358 ( 0.444 0.631 -11.778) 11.803 26.009 ( -0.911 -0.662 7.480) 7.564 26.159 ( -2.216 -2.771 -7.782) 8.552 27.624 ( 3.190 9.260 0.814) 9.828 27.640 ( 3.451 9.879 -0.822) 10.496 28.351 ( 0.598 -3.150 7.669) 8.313 28.503 ( -0.770 -5.594 -7.961) 9.761 ======================= Grid point 293 (46/48) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.774 ( 16.273 12.567 7.113) 21.756 4.907 ( 11.788 15.777 -4.011) 20.098 4.972 ( 7.557 7.569 0.296) 10.700 5.103 ( 6.854 8.476 -9.306) 14.333 5.348 ( -3.177 -8.808 8.601) 12.714 5.502 ( -2.926 -2.530 -5.890) 7.046 5.825 ( -11.849 -0.421 3.363) 12.324 5.927 ( -12.073 3.386 -5.053) 13.519 6.304 ( -3.352 2.208 10.207) 10.968 6.487 ( -4.621 8.864 -8.091) 12.860 6.740 ( 1.871 -12.452 6.977) 14.395 6.868 ( -0.530 -8.693 -4.843) 9.965 7.244 ( -4.964 3.420 14.029) 15.270 7.363 ( -4.448 6.447 1.207) 7.925 7.593 ( 1.187 -0.365 4.265) 4.442 7.727 ( 4.959 -3.479 -6.454) 8.852 8.187 ( 10.523 -1.444 4.584) 11.568 8.236 ( 4.667 -0.305 3.525) 5.856 8.335 ( 11.008 -3.332 -12.924) 17.301 8.386 ( 0.751 3.722 -7.818) 8.691 8.641 ( 3.313 -12.600 -1.083) 13.074 8.772 ( 6.116 -10.960 -13.127) 18.161 8.821 ( -2.427 -19.976 4.774) 20.681 8.973 ( -6.230 -21.487 -10.328) 24.641 9.642 ( 6.295 16.606 13.484) 22.298 9.901 ( 3.690 16.445 -12.227) 20.822 10.077 ( -6.233 -2.104 8.662) 10.877 10.160 ( -3.786 -3.247 -0.352) 5.000 10.716 ( -1.174 8.989 8.393) 12.354 10.803 ( -1.878 13.233 0.299) 13.369 10.883 ( -3.490 11.582 5.555) 13.310 10.923 ( -11.006 7.074 0.427) 13.090 11.042 ( 0.603 3.917 9.027) 9.858 11.230 ( 2.070 3.536 -8.139) 9.112 11.435 ( -13.185 4.907 2.503) 14.289 11.491 ( -11.950 4.904 -1.502) 13.004 11.805 ( -1.972 2.251 9.479) 9.940 11.925 ( 4.182 3.935 -1.521) 5.940 12.153 ( -10.100 -7.402 1.326) 12.592 12.188 ( -6.361 -3.017 -2.006) 7.321 12.529 ( 1.995 1.233 5.671) 6.137 12.640 ( 3.153 -7.344 4.018) 8.946 12.693 ( 3.634 -2.304 -7.228) 8.412 12.841 ( 0.729 -8.636 -11.168) 14.136 13.059 ( 6.084 -11.475 -0.201) 12.990 13.130 ( 8.974 -8.338 -6.722) 13.973 13.347 ( 7.790 -3.547 5.704) 10.286 13.451 ( 2.817 -5.403 1.849) 6.367 13.480 ( 1.873 -4.818 0.049) 5.169 13.619 ( -1.746 -9.527 -6.588) 11.713 13.711 ( -1.341 -5.143 0.962) 5.401 13.759 ( -1.212 -3.697 -2.989) 4.907 13.990 ( 1.080 -1.515 4.361) 4.741 14.082 ( 1.604 -1.153 -4.681) 5.081 14.142 ( 2.452 -5.022 2.944) 6.317 14.188 ( 1.388 -2.206 -1.840) 3.190 14.602 ( -1.568 0.859 3.430) 3.868 14.767 ( -1.636 1.794 -13.231) 13.452 15.024 ( -4.332 7.913 12.130) 15.117 15.215 ( -1.166 8.249 2.738) 8.769 15.263 ( -4.633 5.498 -0.691) 7.222 15.475 ( 1.161 7.143 -12.263) 14.239 15.727 ( -0.496 -0.206 1.599) 1.687 15.790 ( -3.572 -1.895 -5.550) 6.867 16.690 ( 4.179 2.086 20.436) 20.963 16.857 ( 4.673 4.124 9.443) 11.315 16.965 ( -3.698 -0.863 9.929) 10.630 17.064 ( 4.154 3.931 -6.804) 8.889 17.147 ( -0.735 -0.236 -12.433) 12.457 17.180 ( -2.920 -0.672 -10.772) 11.181 17.482 ( 0.027 1.580 10.327) 10.447 17.672 ( -2.166 4.944 -7.097) 8.916 17.960 ( -1.208 -1.644 10.093) 10.297 18.129 ( 0.529 -1.592 -1.381) 2.173 18.152 ( 0.525 -4.855 0.871) 4.961 18.349 ( 3.990 -6.592 -13.067) 15.170 19.493 ( -0.746 1.798 9.543) 9.740 19.673 ( -2.150 4.470 -9.287) 10.529 20.134 ( 4.661 4.942 5.924) 9.013 20.209 ( 6.368 4.260 -0.773) 7.700 20.273 ( -0.913 -3.564 3.256) 4.913 20.377 ( -4.438 -3.084 -6.334) 8.326 24.099 ( -0.058 -0.040 15.012) 15.013 24.366 ( 0.125 0.173 -12.452) 12.454 25.997 ( -0.500 0.366 5.968) 6.000 26.117 ( -0.738 -0.734 -6.327) 6.412 27.737 ( -1.601 9.647 1.308) 9.866 27.762 ( -1.711 10.523 -1.313) 10.741 28.322 ( 2.301 -6.511 5.986) 9.139 28.440 ( 2.185 -8.238 -6.148) 10.509 ======================= Grid point 303 (47/48) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.691 ( 10.175 17.623 10.117) 22.725 4.904 ( 8.251 14.291 -11.406) 20.060 4.917 ( 11.636 20.155 4.312) 23.669 5.067 ( 10.538 18.253 -11.238) 23.886 5.335 ( -7.867 -13.626 10.017) 18.651 5.528 ( -6.478 -11.220 -9.518) 16.076 5.938 ( 0.688 1.191 9.650) 9.748 6.073 ( 0.361 0.625 -4.096) 4.160 6.332 ( 0.277 0.479 10.318) 10.333 6.555 ( 1.533 2.655 -10.620) 11.054 6.650 ( -7.834 -13.569 11.816) 19.624 6.861 ( -5.736 -9.936 -8.433) 14.238 7.427 ( 1.988 3.443 14.171) 14.718 7.450 ( 1.432 2.480 9.734) 10.146 7.548 ( 0.987 1.709 -0.727) 2.103 7.571 ( 0.542 0.939 -2.068) 2.335 8.041 ( 0.794 1.375 -1.211) 1.997 8.187 ( 1.438 2.490 -15.666) 15.927 8.225 ( 3.121 5.405 6.086) 8.717 8.392 ( 2.599 4.502 -10.600) 11.806 8.552 ( -4.778 -8.276 -2.957) 10.003 8.685 ( -4.805 -8.323 -16.001) 18.665 8.737 ( -12.181 -21.098 7.734) 25.560 8.915 ( -12.544 -21.727 -11.222) 27.484 9.672 ( 10.570 18.308 14.481) 25.624 9.952 ( 8.667 15.011 -13.232) 21.807 10.110 ( -0.650 -1.125 7.832) 7.939 10.178 ( -2.362 -4.091 0.027) 4.724 10.774 ( 2.973 5.149 10.191) 11.799 10.883 ( 4.023 6.968 0.150) 8.048 10.941 ( 2.435 4.218 12.992) 13.875 11.097 ( 5.587 9.677 7.064) 13.220 11.103 ( 1.275 2.208 -3.438) 4.280 11.213 ( 3.361 5.821 -4.438) 8.055 11.560 ( 1.748 3.027 1.271) 3.719 11.626 ( 0.728 1.260 -4.410) 4.644 11.860 ( -2.010 -3.481 12.607) 13.232 12.056 ( -3.391 -5.874 -8.396) 10.794 12.125 ( -6.167 -10.681 7.321) 14.343 12.253 ( -4.994 -8.650 -5.266) 11.292 12.521 ( -3.131 -5.422 5.298) 8.202 12.566 ( -3.603 -6.241 8.395) 11.064 12.635 ( 0.138 0.240 2.610) 2.625 12.728 ( 0.745 1.290 -15.352) 15.424 12.871 ( -1.891 -3.276 -2.046) 4.300 13.009 ( -6.108 -10.579 -14.863) 19.239 13.262 ( 1.490 2.581 6.209) 6.887 13.382 ( 1.673 2.898 -5.597) 6.521 13.467 ( -2.888 -5.003 7.925) 9.806 13.635 ( -2.892 -5.010 -8.945) 10.652 13.682 ( -3.865 -6.694 2.241) 8.048 13.732 ( -3.583 -6.206 -2.466) 7.579 13.993 ( 0.174 0.302 4.082) 4.096 14.066 ( -0.831 -1.439 5.229) 5.487 14.081 ( 0.101 0.174 -5.227) 5.231 14.159 ( -0.634 -1.098 -4.883) 5.045 14.620 ( -0.418 -0.723 4.509) 4.586 14.787 ( -0.180 -0.311 -12.624) 12.629 15.114 ( 2.587 4.481 14.069) 14.990 15.237 ( 0.931 1.613 13.409) 13.538 15.394 ( 4.058 7.029 -15.373) 17.384 15.463 ( 3.643 6.310 -9.118) 11.672 15.729 ( -0.190 -0.329 2.491) 2.520 15.822 ( -2.894 -5.013 -8.279) 10.101 16.654 ( 2.945 5.101 22.067) 22.840 16.829 ( 2.493 4.318 11.040) 12.114 17.007 ( -1.500 -2.597 11.753) 12.129 17.041 ( 3.095 5.361 -9.523) 11.358 17.153 ( 0.755 1.308 -17.835) 17.899 17.199 ( -1.154 -1.999 -8.537) 8.844 17.497 ( 1.478 2.560 12.294) 12.644 17.728 ( 1.862 3.225 -9.351) 10.065 17.977 ( -1.049 -1.818 12.579) 12.753 18.036 ( -2.932 -5.079 9.025) 10.763 18.215 ( -0.436 -0.755 -11.847) 11.879 18.235 ( -2.439 -4.224 -11.091) 12.116 19.511 ( 0.627 1.086 11.557) 11.624 19.720 ( 1.288 2.232 -10.159) 10.480 20.106 ( 3.506 6.073 3.635) 7.898 20.173 ( 4.265 7.388 -3.244) 9.127 20.268 ( -1.778 -3.079 7.162) 7.996 20.400 ( -2.121 -3.673 -6.309) 7.602 24.100 ( -0.052 -0.090 14.971) 14.972 24.366 ( 0.132 0.228 -12.425) 12.428 26.004 ( -0.020 -0.034 5.775) 5.775 26.121 ( -0.690 -1.195 -6.162) 6.315 27.811 ( 5.403 9.358 1.706) 10.939 27.844 ( 6.023 10.432 -1.737) 12.170 28.257 ( -3.499 -6.061 5.540) 8.926 28.366 ( -4.594 -7.957 -5.678) 10.800 ======================= Grid point 304 (48/48) ======================= q-point: ( 0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.922 ( -1.391 2.409 9.930) 10.313 5.076 ( -2.810 4.867 5.650) 7.969 5.125 ( -4.064 7.039 -11.013) 13.687 5.190 ( 3.692 -6.395 5.812) 9.397 5.214 ( -2.474 4.285 -7.574) 9.047 5.378 ( 5.307 -9.192 -12.218) 16.184 5.974 ( -7.138 12.363 7.976) 16.353 6.106 ( -6.004 10.399 -4.990) 13.003 6.333 ( -0.441 0.764 18.135) 18.157 6.460 ( 7.834 -13.570 11.653) 19.527 6.629 ( -1.572 2.723 -11.045) 11.483 6.682 ( 4.434 -7.680 -8.657) 12.393 7.399 ( -6.367 11.028 12.511) 17.852 7.525 ( -4.954 8.580 -1.922) 10.092 7.557 ( 2.195 -3.803 6.203) 7.600 7.646 ( 2.405 -4.166 -1.622) 5.076 8.097 ( 4.040 -6.998 6.372) 10.290 8.255 ( 1.429 -2.476 -10.053) 10.452 8.288 ( -2.154 3.731 6.343) 7.668 8.422 ( 2.327 -4.031 -1.748) 4.972 8.475 ( -0.290 0.501 -8.932) 8.951 8.476 ( 6.859 -11.881 -2.629) 13.968 8.598 ( 4.466 -7.736 -16.725) 18.961 8.608 ( 5.783 -10.017 -15.194) 19.096 9.924 ( -5.394 9.343 12.091) 16.204 10.072 ( 0.230 -0.398 7.477) 7.491 10.111 ( -2.374 4.111 -5.744) 7.452 10.136 ( -0.247 0.428 1.559) 1.636 10.859 ( -3.635 6.296 8.582) 11.247 10.964 ( 0.384 -0.665 9.957) 9.987 10.966 ( -3.737 6.472 -1.161) 7.563 11.082 ( -0.758 1.313 -1.906) 2.435 11.234 ( -5.754 9.966 6.319) 13.129 11.339 ( -3.851 6.670 -4.078) 8.714 11.590 ( -5.241 9.078 2.433) 10.761 11.629 ( -4.166 7.216 -1.635) 8.491 11.814 ( -0.279 0.484 10.556) 10.570 11.978 ( 5.041 -8.731 8.160) 12.971 11.982 ( -0.798 1.383 -6.618) 6.808 12.114 ( 2.840 -4.919 -5.825) 8.136 12.458 ( 3.352 -5.806 10.235) 12.235 12.499 ( 5.775 -10.003 6.895) 13.452 12.643 ( -1.752 3.035 0.364) 3.524 12.755 ( 0.988 -1.712 -19.075) 19.177 12.852 ( 5.353 -9.273 -10.098) 14.718 12.898 ( 3.954 -6.849 -8.484) 11.598 13.332 ( -0.019 0.032 7.781) 7.781 13.378 ( 0.625 -1.083 6.642) 6.758 13.484 ( -0.155 0.268 -7.510) 7.516 13.513 ( -0.681 1.179 -5.302) 5.474 13.613 ( 2.643 -4.577 0.544) 5.313 13.667 ( 2.873 -4.976 -3.842) 6.912 13.990 ( -0.955 1.654 5.455) 5.780 14.055 ( 2.087 -3.614 5.295) 6.742 14.092 ( -0.903 1.564 -5.413) 5.706 14.144 ( 1.281 -2.218 -4.335) 5.035 14.613 ( -0.188 0.326 4.724) 4.739 14.784 ( -0.169 0.293 -12.686) 12.691 15.166 ( -3.285 5.691 15.210) 16.569 15.249 ( 0.555 -0.962 15.615) 15.654 15.457 ( -5.284 9.152 -14.682) 18.090 15.563 ( -0.284 0.492 -17.305) 17.315 15.724 ( 0.205 -0.355 0.184) 0.449 15.743 ( 1.046 -1.812 -2.243) 3.067 16.699 ( 0.263 -0.455 23.968) 23.973 16.907 ( -0.525 0.909 13.036) 13.078 16.949 ( 0.016 -0.028 11.906) 11.906 17.126 ( -0.485 0.840 -10.176) 10.222 17.149 ( -0.534 0.925 -9.573) 9.633 17.171 ( 0.067 -0.116 -20.961) 20.961 17.529 ( -1.327 2.298 12.291) 12.574 17.762 ( -2.127 3.684 -9.326) 10.251 17.943 ( 0.013 -0.023 12.476) 12.476 17.995 ( 3.618 -6.267 10.698) 12.915 18.166 ( -0.985 1.707 -10.630) 10.812 18.229 ( 2.832 -4.905 -12.391) 13.624 19.522 ( -0.509 0.881 12.219) 12.261 19.742 ( -1.248 2.161 -10.663) 10.951 20.198 ( 0.400 -0.693 4.401) 4.473 20.206 ( -0.372 0.644 6.701) 6.742 20.278 ( -0.751 1.301 -3.871) 4.152 20.332 ( 0.636 -1.102 -6.280) 6.408 24.099 ( 0.011 -0.020 15.056) 15.056 24.368 ( -0.016 0.028 -12.630) 12.630 26.004 ( -0.135 0.233 5.195) 5.202 26.109 ( 0.095 -0.165 -5.573) 5.576 27.932 ( -5.495 9.518 2.490) 11.269 27.981 ( -6.255 10.834 -2.534) 12.764 28.168 ( 4.860 -8.418 4.364) 10.655 28.254 ( 5.717 -9.902 -4.465) 12.275 =================== 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 3/54450 10.0 2790.737 2790.737 1777.814 0.000 -0.000 0.000 3/54450 20.0 5287.732 5287.732 4699.038 0.000 -0.000 0.000 3/54450 30.0 2822.814 2822.814 2369.604 0.000 -0.000 0.000 3/54450 40.0 1280.853 1280.853 1070.701 0.000 -0.000 0.000 3/54450 50.0 623.663 623.663 520.206 0.000 -0.000 0.000 3/54450 60.0 339.083 339.083 282.538 0.000 -0.000 0.000 3/54450 70.0 203.365 203.365 170.056 0.000 -0.000 0.000 3/54450 80.0 132.269 132.269 111.303 0.000 -0.000 0.000 3/54450 90.0 91.907 91.907 77.890 0.000 -0.000 0.000 3/54450 100.0 67.383 67.383 57.499 0.000 -0.000 0.000 3/54450 110.0 51.608 51.608 44.312 0.000 -0.000 0.000 3/54450 120.0 40.961 40.961 35.361 0.000 -0.000 0.000 3/54450 130.0 33.478 33.478 29.037 0.000 -0.000 0.000 3/54450 140.0 28.032 28.032 24.413 0.000 -0.000 0.000 3/54450 150.0 23.951 23.951 20.933 0.000 -0.000 0.000 3/54450 160.0 20.813 20.813 18.247 0.000 -0.000 0.000 3/54450 170.0 18.346 18.346 16.130 0.000 -0.000 0.000 3/54450 180.0 16.370 16.370 14.428 0.000 -0.000 0.000 3/54450 190.0 14.758 14.758 13.037 0.000 -0.000 0.000 3/54450 200.0 13.424 13.424 11.884 0.000 -0.000 0.000 3/54450 210.0 12.306 12.306 10.915 0.000 -0.000 0.000 3/54450 220.0 11.357 11.357 10.092 0.000 -0.000 0.000 3/54450 230.0 10.543 10.543 9.385 0.000 -0.000 0.000 3/54450 240.0 9.838 9.838 8.772 0.000 -0.000 0.000 3/54450 250.0 9.223 9.223 8.236 0.000 -0.000 0.000 3/54450 260.0 8.681 8.681 7.764 0.000 -0.000 0.000 3/54450 270.0 8.201 8.201 7.345 0.000 -0.000 0.000 3/54450 280.0 7.773 7.773 6.970 0.000 -0.000 0.000 3/54450 290.0 7.389 7.389 6.634 0.000 -0.000 0.000 3/54450 300.0 7.042 7.042 6.331 0.000 -0.000 0.000 3/54450 310.0 6.728 6.728 6.055 0.000 -0.000 0.000 3/54450 320.0 6.441 6.441 5.804 0.000 -0.000 0.000 3/54450 330.0 6.180 6.180 5.574 0.000 -0.000 0.000 3/54450 340.0 5.939 5.939 5.363 0.000 -0.000 0.000 3/54450 350.0 5.718 5.718 5.168 0.000 -0.000 0.000 3/54450 360.0 5.513 5.513 4.988 0.000 -0.000 0.000 3/54450 370.0 5.324 5.324 4.821 0.000 -0.000 0.000 3/54450 380.0 5.147 5.147 4.665 0.000 -0.000 0.000 3/54450 390.0 4.983 4.983 4.520 0.000 -0.000 0.000 3/54450 400.0 4.829 4.829 4.384 0.000 -0.000 0.000 3/54450 410.0 4.685 4.685 4.256 0.000 -0.000 0.000 3/54450 420.0 4.550 4.550 4.136 0.000 -0.000 0.000 3/54450 430.0 4.423 4.423 4.024 0.000 -0.000 0.000 3/54450 440.0 4.303 4.303 3.917 0.000 -0.000 0.000 3/54450 450.0 4.189 4.189 3.816 0.000 -0.000 0.000 3/54450 460.0 4.082 4.082 3.721 0.000 -0.000 0.000 3/54450 470.0 3.981 3.981 3.631 0.000 -0.000 0.000 3/54450 480.0 3.884 3.884 3.545 0.000 -0.000 0.000 3/54450 490.0 3.793 3.793 3.463 0.000 -0.000 0.000 3/54450 500.0 3.706 3.706 3.385 0.000 -0.000 0.000 3/54450 510.0 3.623 3.623 3.311 0.000 -0.000 0.000 3/54450 520.0 3.543 3.543 3.240 0.000 -0.000 0.000 3/54450 530.0 3.468 3.468 3.173 0.000 -0.000 0.000 3/54450 540.0 3.395 3.395 3.108 0.000 -0.000 0.000 3/54450 550.0 3.326 3.326 3.046 0.000 -0.000 0.000 3/54450 560.0 3.260 3.260 2.986 0.000 -0.000 0.000 3/54450 570.0 3.196 3.196 2.929 0.000 -0.000 0.000 3/54450 580.0 3.135 3.135 2.874 0.000 -0.000 0.000 3/54450 590.0 3.076 3.076 2.821 0.000 -0.000 0.000 3/54450 600.0 3.020 3.020 2.771 0.000 -0.000 0.000 3/54450 610.0 2.965 2.965 2.722 0.000 -0.000 0.000 3/54450 620.0 2.913 2.913 2.674 0.000 -0.000 0.000 3/54450 630.0 2.863 2.863 2.629 0.000 -0.000 0.000 3/54450 640.0 2.814 2.814 2.585 0.000 -0.000 0.000 3/54450 650.0 2.767 2.767 2.543 0.000 -0.000 0.000 3/54450 660.0 2.721 2.721 2.502 0.000 -0.000 0.000 3/54450 670.0 2.678 2.678 2.462 0.000 -0.000 0.000 3/54450 680.0 2.635 2.635 2.424 0.000 -0.000 0.000 3/54450 690.0 2.594 2.594 2.386 0.000 -0.000 0.000 3/54450 700.0 2.554 2.554 2.350 0.000 -0.000 0.000 3/54450 710.0 2.516 2.516 2.315 0.000 -0.000 0.000 3/54450 720.0 2.478 2.478 2.282 0.000 -0.000 0.000 3/54450 730.0 2.442 2.442 2.249 0.000 -0.000 0.000 3/54450 740.0 2.407 2.407 2.217 0.000 -0.000 0.000 3/54450 750.0 2.373 2.373 2.186 0.000 -0.000 0.000 3/54450 760.0 2.340 2.340 2.156 0.000 -0.000 0.000 3/54450 770.0 2.308 2.308 2.127 0.000 -0.000 0.000 3/54450 780.0 2.276 2.276 2.098 0.000 -0.000 0.000 3/54450 790.0 2.246 2.246 2.070 0.000 -0.000 0.000 3/54450 800.0 2.216 2.216 2.043 0.000 -0.000 0.000 3/54450 810.0 2.187 2.187 2.017 0.000 -0.000 0.000 3/54450 820.0 2.159 2.159 1.992 0.000 -0.000 0.000 3/54450 830.0 2.132 2.132 1.967 0.000 -0.000 0.000 3/54450 840.0 2.105 2.105 1.943 0.000 -0.000 0.000 3/54450 850.0 2.079 2.079 1.919 0.000 -0.000 0.000 3/54450 860.0 2.054 2.054 1.896 0.000 -0.000 0.000 3/54450 870.0 2.029 2.029 1.873 0.000 -0.000 0.000 3/54450 880.0 2.005 2.005 1.851 0.000 -0.000 0.000 3/54450 890.0 1.982 1.982 1.830 0.000 -0.000 0.000 3/54450 900.0 1.959 1.959 1.809 0.000 -0.000 0.000 3/54450 910.0 1.936 1.936 1.788 0.000 -0.000 0.000 3/54450 920.0 1.914 1.914 1.768 0.000 -0.000 0.000 3/54450 930.0 1.893 1.893 1.749 0.000 -0.000 0.000 3/54450 940.0 1.872 1.872 1.730 0.000 -0.000 0.000 3/54450 950.0 1.852 1.852 1.711 0.000 -0.000 0.000 3/54450 960.0 1.832 1.832 1.693 0.000 -0.000 0.000 3/54450 970.0 1.812 1.812 1.675 0.000 -0.000 0.000 3/54450 980.0 1.793 1.793 1.657 0.000 -0.000 0.000 3/54450 990.0 1.774 1.774 1.640 0.000 -0.000 0.000 3/54450 1000.0 1.756 1.756 1.623 0.000 -0.000 0.000 3/54450 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:22:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|