----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:56:04]------------------------- 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: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.691837990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.210166729999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.222407000000000 Atomic positions (fractional): *1 Dy 0.87594297331838 0.51613429439578 0.33741042394000 162.500 2 Dy 0.87594297331838 0.98386570560422 0.33741042394000 162.500 3 Dy 0.62405702668162 0.48386570560422 0.83741042394000 162.500 4 Dy 0.62405702668162 0.01613429439578 0.83741042394000 162.500 5 Dy 0.37594297331838 0.51613429439578 0.16258957606000 162.500 6 Dy 0.37594297331838 0.98386570560422 0.16258957606000 162.500 7 Dy 0.12405702668162 0.48386570560422 0.66258957606000 162.500 8 Dy 0.12405702668162 0.01613429439578 0.66258957606000 162.500 *9 Ge 0.94881478791939 0.25000000000000 0.87222664038068 72.640 *10 Ge 0.81273007328706 0.75000000000000 0.87402357369217 72.640 11 Ge 0.68726992671294 0.25000000000000 0.37402357369217 72.640 12 Ge 0.55118521208061 0.75000000000000 0.37222664038068 72.640 13 Ge 0.44881478791939 0.25000000000000 0.62777335961932 72.640 14 Ge 0.31273007328706 0.75000000000000 0.62597642630783 72.640 15 Ge 0.18726992671294 0.25000000000000 0.12597642630783 72.640 16 Ge 0.05118521208061 0.75000000000000 0.12777335961932 72.640 *17 O 0.95006487703810 0.06672591043001 0.70274591084550 15.999 18 O 0.95006487703810 0.43327408956999 0.70274591084550 15.999 *19 O 0.91898767119999 0.75000000000000 0.08176912144366 15.999 *20 O 0.89009742005263 0.25000000000000 0.16974075362780 15.999 *21 O 0.84544941078158 0.75000000000000 0.55397551333776 15.999 *22 O 0.76243330931011 0.57406533559422 0.00775315234104 15.999 23 O 0.76243330931011 0.92593466440578 0.00775315234104 15.999 24 O 0.73756669068989 0.42593466440578 0.50775315234105 15.999 25 O 0.73756669068989 0.07406533559422 0.50775315234105 15.999 26 O 0.65455058921842 0.25000000000000 0.05397551333776 15.999 27 O 0.60990257994737 0.75000000000000 0.66974075362779 15.999 28 O 0.58101232880001 0.25000000000000 0.58176912144366 15.999 29 O 0.54993512296190 0.93327408956999 0.20274591084550 15.999 30 O 0.54993512296190 0.56672591043001 0.20274591084550 15.999 31 O 0.45006487703810 0.06672591043001 0.79725408915450 15.999 32 O 0.45006487703810 0.43327408956999 0.79725408915450 15.999 33 O 0.41898767119999 0.75000000000000 0.41823087855634 15.999 34 O 0.39009742005263 0.25000000000000 0.33025924637220 15.999 35 O 0.34544941078158 0.75000000000000 0.94602448666224 15.999 36 O 0.26243330931011 0.57406533559422 0.49224684765895 15.999 37 O 0.26243330931011 0.92593466440578 0.49224684765895 15.999 38 O 0.23756669068989 0.42593466440578 0.99224684765895 15.999 39 O 0.23756669068989 0.07406533559422 0.99224684765895 15.999 40 O 0.15455058921842 0.25000000000000 0.44602448666224 15.999 41 O 0.10990257994737 0.75000000000000 0.83025924637221 15.999 42 O 0.08101232880001 0.25000000000000 0.91823087855634 15.999 43 O 0.04993512296190 0.93327408956999 0.29725408915450 15.999 44 O 0.04993512296190 0.56672591043001 0.29725408915450 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.691837990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.210166729999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.222407000000000 Atomic positions (fractional): *1 Dy 0.87594297331838 0.51613429439578 0.33741042394000 162.500 > 1 2 Dy 0.87594297331838 0.98386570560422 0.33741042394000 162.500 > 2 3 Dy 0.62405702668162 0.48386570560422 0.83741042394000 162.500 > 3 4 Dy 0.62405702668162 0.01613429439578 0.83741042394000 162.500 > 4 5 Dy 0.37594297331838 0.51613429439578 0.16258957606000 162.500 > 5 6 Dy 0.37594297331838 0.98386570560422 0.16258957606000 162.500 > 6 7 Dy 0.12405702668162 0.48386570560422 0.66258957606000 162.500 > 7 8 Dy 0.12405702668162 0.01613429439578 0.66258957606000 162.500 > 8 *9 Ge 0.94881478791939 0.25000000000000 0.87222664038068 72.640 > 9 *10 Ge 0.81273007328706 0.75000000000000 0.87402357369217 72.640 > 10 11 Ge 0.68726992671294 0.25000000000000 0.37402357369217 72.640 > 11 12 Ge 0.55118521208061 0.75000000000000 0.37222664038068 72.640 > 12 13 Ge 0.44881478791939 0.25000000000000 0.62777335961932 72.640 > 13 14 Ge 0.31273007328706 0.75000000000000 0.62597642630783 72.640 > 14 15 Ge 0.18726992671294 0.25000000000000 0.12597642630783 72.640 > 15 16 Ge 0.05118521208061 0.75000000000000 0.12777335961932 72.640 > 16 *17 O 0.95006487703810 0.06672591043001 0.70274591084550 15.999 > 17 18 O 0.95006487703810 0.43327408956999 0.70274591084550 15.999 > 18 *19 O 0.91898767119999 0.75000000000000 0.08176912144366 15.999 > 19 *20 O 0.89009742005263 0.25000000000000 0.16974075362780 15.999 > 20 *21 O 0.84544941078158 0.75000000000000 0.55397551333776 15.999 > 21 *22 O 0.76243330931011 0.57406533559422 0.00775315234104 15.999 > 22 23 O 0.76243330931011 0.92593466440578 0.00775315234104 15.999 > 23 24 O 0.73756669068989 0.42593466440578 0.50775315234105 15.999 > 24 25 O 0.73756669068989 0.07406533559422 0.50775315234105 15.999 > 25 26 O 0.65455058921842 0.25000000000000 0.05397551333776 15.999 > 26 27 O 0.60990257994737 0.75000000000000 0.66974075362779 15.999 > 27 28 O 0.58101232880001 0.25000000000000 0.58176912144366 15.999 > 28 29 O 0.54993512296190 0.93327408956999 0.20274591084550 15.999 > 29 30 O 0.54993512296190 0.56672591043001 0.20274591084550 15.999 > 30 31 O 0.45006487703810 0.06672591043001 0.79725408915450 15.999 > 31 32 O 0.45006487703810 0.43327408956999 0.79725408915450 15.999 > 32 33 O 0.41898767119999 0.75000000000000 0.41823087855634 15.999 > 33 34 O 0.39009742005263 0.25000000000000 0.33025924637220 15.999 > 34 35 O 0.34544941078158 0.75000000000000 0.94602448666224 15.999 > 35 36 O 0.26243330931011 0.57406533559422 0.49224684765895 15.999 > 36 37 O 0.26243330931011 0.92593466440578 0.49224684765895 15.999 > 37 38 O 0.23756669068989 0.42593466440578 0.99224684765895 15.999 > 38 39 O 0.23756669068989 0.07406533559422 0.99224684765895 15.999 > 39 40 O 0.15455058921842 0.25000000000000 0.44602448666224 15.999 > 40 41 O 0.10990257994737 0.75000000000000 0.83025924637221 15.999 > 41 42 O 0.08101232880001 0.25000000000000 0.91823087855634 15.999 > 42 43 O 0.04993512296190 0.93327408956999 0.29725408915450 15.999 > 43 44 O 0.04993512296190 0.56672591043001 0.29725408915450 15.999 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.691837990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.210166729999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.444813999999999 Atomic positions (fractional): *1 Dy 0.87594297331838 0.51613429439578 0.16870521197000 162.500 > 1 2 Dy 0.87594297331838 0.51613429439578 0.66870521197000 162.500 > 1 3 Dy 0.87594297331838 0.98386570560422 0.16870521197000 162.500 > 2 4 Dy 0.87594297331838 0.98386570560422 0.66870521197000 162.500 > 2 5 Dy 0.62405702668162 0.48386570560422 0.41870521197000 162.500 > 3 6 Dy 0.62405702668162 0.48386570560422 0.91870521197000 162.500 > 3 7 Dy 0.62405702668162 0.01613429439578 0.41870521197000 162.500 > 4 8 Dy 0.62405702668162 0.01613429439578 0.91870521197000 162.500 > 4 9 Dy 0.37594297331838 0.51613429439578 0.08129478803000 162.500 > 5 10 Dy 0.37594297331838 0.51613429439578 0.58129478803000 162.500 > 5 11 Dy 0.37594297331838 0.98386570560422 0.08129478803000 162.500 > 6 12 Dy 0.37594297331838 0.98386570560422 0.58129478803000 162.500 > 6 13 Dy 0.12405702668162 0.48386570560422 0.33129478803000 162.500 > 7 14 Dy 0.12405702668162 0.48386570560422 0.83129478803000 162.500 > 7 15 Dy 0.12405702668162 0.01613429439578 0.33129478803000 162.500 > 8 16 Dy 0.12405702668162 0.01613429439578 0.83129478803000 162.500 > 8 *17 Ge 0.94881478791939 0.25000000000000 0.43611332019034 72.640 > 9 18 Ge 0.94881478791939 0.25000000000000 0.93611332019034 72.640 > 9 *19 Ge 0.81273007328706 0.75000000000000 0.43701178684609 72.640 > 10 20 Ge 0.81273007328706 0.75000000000000 0.93701178684609 72.640 > 10 21 Ge 0.68726992671294 0.25000000000000 0.18701178684609 72.640 > 11 22 Ge 0.68726992671294 0.25000000000000 0.68701178684609 72.640 > 11 23 Ge 0.55118521208061 0.75000000000000 0.18611332019034 72.640 > 12 24 Ge 0.55118521208061 0.75000000000000 0.68611332019034 72.640 > 12 25 Ge 0.44881478791939 0.25000000000000 0.31388667980966 72.640 > 13 26 Ge 0.44881478791939 0.25000000000000 0.81388667980966 72.640 > 13 27 Ge 0.31273007328706 0.75000000000000 0.31298821315391 72.640 > 14 28 Ge 0.31273007328706 0.75000000000000 0.81298821315391 72.640 > 14 29 Ge 0.18726992671294 0.25000000000000 0.06298821315391 72.640 > 15 30 Ge 0.18726992671294 0.25000000000000 0.56298821315391 72.640 > 15 31 Ge 0.05118521208061 0.75000000000000 0.06388667980966 72.640 > 16 32 Ge 0.05118521208061 0.75000000000000 0.56388667980966 72.640 > 16 *33 O 0.95006487703810 0.06672591043001 0.35137295542275 15.999 > 17 34 O 0.95006487703810 0.06672591043001 0.85137295542275 15.999 > 17 35 O 0.95006487703810 0.43327408956999 0.35137295542275 15.999 > 18 36 O 0.95006487703810 0.43327408956999 0.85137295542275 15.999 > 18 *37 O 0.91898767119999 0.75000000000000 0.04088456072183 15.999 > 19 38 O 0.91898767119999 0.75000000000000 0.54088456072183 15.999 > 19 *39 O 0.89009742005263 0.25000000000000 0.08487037681390 15.999 > 20 40 O 0.89009742005263 0.25000000000000 0.58487037681390 15.999 > 20 *41 O 0.84544941078158 0.75000000000000 0.27698775666888 15.999 > 21 42 O 0.84544941078158 0.75000000000000 0.77698775666888 15.999 > 21 *43 O 0.76243330931011 0.57406533559422 0.00387657617052 15.999 > 22 44 O 0.76243330931011 0.57406533559422 0.50387657617052 15.999 > 22 45 O 0.76243330931011 0.92593466440578 0.00387657617052 15.999 > 23 46 O 0.76243330931011 0.92593466440578 0.50387657617052 15.999 > 23 47 O 0.73756669068989 0.42593466440578 0.25387657617052 15.999 > 24 48 O 0.73756669068989 0.42593466440578 0.75387657617052 15.999 > 24 49 O 0.73756669068989 0.07406533559422 0.25387657617052 15.999 > 25 50 O 0.73756669068989 0.07406533559422 0.75387657617052 15.999 > 25 51 O 0.65455058921842 0.25000000000000 0.02698775666888 15.999 > 26 52 O 0.65455058921842 0.25000000000000 0.52698775666888 15.999 > 26 53 O 0.60990257994737 0.75000000000000 0.33487037681390 15.999 > 27 54 O 0.60990257994737 0.75000000000000 0.83487037681390 15.999 > 27 55 O 0.58101232880001 0.25000000000000 0.29088456072183 15.999 > 28 56 O 0.58101232880001 0.25000000000000 0.79088456072183 15.999 > 28 57 O 0.54993512296190 0.93327408956999 0.10137295542275 15.999 > 29 58 O 0.54993512296190 0.93327408956999 0.60137295542275 15.999 > 29 59 O 0.54993512296190 0.56672591043001 0.10137295542275 15.999 > 30 60 O 0.54993512296190 0.56672591043001 0.60137295542275 15.999 > 30 61 O 0.45006487703810 0.06672591043001 0.39862704457725 15.999 > 31 62 O 0.45006487703810 0.06672591043001 0.89862704457725 15.999 > 31 63 O 0.45006487703810 0.43327408956999 0.39862704457725 15.999 > 32 64 O 0.45006487703810 0.43327408956999 0.89862704457725 15.999 > 32 65 O 0.41898767119999 0.75000000000000 0.20911543927817 15.999 > 33 66 O 0.41898767119999 0.75000000000000 0.70911543927817 15.999 > 33 67 O 0.39009742005263 0.25000000000000 0.16512962318610 15.999 > 34 68 O 0.39009742005263 0.25000000000000 0.66512962318610 15.999 > 34 69 O 0.34544941078158 0.75000000000000 0.47301224333112 15.999 > 35 70 O 0.34544941078158 0.75000000000000 0.97301224333112 15.999 > 35 71 O 0.26243330931011 0.57406533559422 0.24612342382948 15.999 > 36 72 O 0.26243330931011 0.57406533559422 0.74612342382948 15.999 > 36 73 O 0.26243330931011 0.92593466440578 0.24612342382948 15.999 > 37 74 O 0.26243330931011 0.92593466440578 0.74612342382948 15.999 > 37 75 O 0.23756669068989 0.42593466440578 0.49612342382948 15.999 > 38 76 O 0.23756669068989 0.42593466440578 0.99612342382948 15.999 > 38 77 O 0.23756669068989 0.07406533559422 0.49612342382948 15.999 > 39 78 O 0.23756669068989 0.07406533559422 0.99612342382948 15.999 > 39 79 O 0.15455058921842 0.25000000000000 0.22301224333112 15.999 > 40 80 O 0.15455058921842 0.25000000000000 0.72301224333112 15.999 > 40 81 O 0.10990257994737 0.75000000000000 0.41512962318610 15.999 > 41 82 O 0.10990257994737 0.75000000000000 0.91512962318610 15.999 > 41 83 O 0.08101232880001 0.25000000000000 0.45911543927817 15.999 > 42 84 O 0.08101232880001 0.25000000000000 0.95911543927817 15.999 > 42 85 O 0.04993512296190 0.93327408956999 0.14862704457725 15.999 > 43 86 O 0.04993512296190 0.93327408956999 0.64862704457725 15.999 > 43 87 O 0.04993512296190 0.56672591043001 0.14862704457725 15.999 > 44 88 O 0.04993512296190 0.56672591043001 0.64862704457725 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6557836 0.0000000 0.0000000 0.0000000 3.7640391 0.0000000 0.0000000 0.0000000 3.7955834 -------------------------- Born effective charges -------------------------- 1 Dy 3.9053237 -0.0748913 0.0756210 0.1898652 4.0023435 -0.3780993 0.1944846 0.2634358 3.8950376 2 Dy 3.9053237 0.0748913 0.0756210 -0.1898652 4.0023435 0.3780993 0.1944846 -0.2634358 3.8950376 3 Dy 3.9053237 -0.0748913 -0.0756210 0.1898652 4.0023435 0.3780993 -0.1944846 -0.2634358 3.8950376 4 Dy 3.9053237 0.0748913 -0.0756210 -0.1898652 4.0023435 -0.3780993 -0.1944846 0.2634358 3.8950376 5 Dy 3.9053237 -0.0748913 -0.0756210 0.1898652 4.0023435 0.3780993 -0.1944846 -0.2634358 3.8950376 6 Dy 3.9053237 0.0748913 -0.0756210 -0.1898652 4.0023435 -0.3780993 -0.1944846 0.2634358 3.8950376 7 Dy 3.9053237 -0.0748913 0.0756210 0.1898652 4.0023435 -0.3780993 0.1944846 0.2634358 3.8950376 8 Dy 3.9053237 0.0748913 0.0756210 -0.1898652 4.0023435 0.3780993 0.1944846 -0.2634358 3.8950376 9 Ge 3.2327771 0.0000000 -0.3868056 0.0000000 3.2309415 0.0000000 -0.2070971 0.0000000 3.2339576 10 Ge 3.2703560 0.0000000 0.0761086 0.0000000 3.3012851 0.0000000 0.2999269 0.0000000 3.5484601 11 Ge 3.2703560 0.0000000 -0.0761086 0.0000000 3.3012851 0.0000000 -0.2999269 0.0000000 3.5484601 12 Ge 3.2327771 0.0000000 0.3868056 0.0000000 3.2309415 0.0000000 0.2070971 0.0000000 3.2339576 13 Ge 3.2327771 0.0000000 0.3868056 0.0000000 3.2309415 0.0000000 0.2070971 0.0000000 3.2339576 14 Ge 3.2703560 0.0000000 -0.0761086 0.0000000 3.3012851 0.0000000 -0.2999269 0.0000000 3.5484601 15 Ge 3.2703560 0.0000000 0.0761086 0.0000000 3.3012851 0.0000000 0.2999269 0.0000000 3.5484601 16 Ge 3.2327771 0.0000000 -0.3868056 0.0000000 3.2309415 0.0000000 -0.2070971 0.0000000 3.2339576 17 O -1.9607065 -0.2373439 -0.3589992 0.0488552 -1.9692271 -0.6978072 -0.1855230 -0.5376764 -2.1229441 18 O -1.9607065 0.2373439 -0.3589992 -0.0488552 -1.9692271 0.6978072 -0.1855230 0.5376764 -2.1229441 19 O -2.8167047 0.0000000 -0.4330357 0.0000000 -1.7737080 0.0000000 -0.5837594 0.0000000 -1.8533568 20 O -1.5258343 0.0000000 0.7524856 0.0000000 -2.4467248 0.0000000 0.5375455 0.0000000 -2.2346109 21 O -1.2761737 0.0000000 0.3925776 0.0000000 -2.4927780 0.0000000 0.4576151 0.0000000 -2.5745688 22 O -2.3868274 -0.4901027 -0.5006787 -0.4776793 -1.9426243 0.2678755 -0.6281952 0.1790974 -1.8320342 23 O -2.3868274 0.4901027 -0.5006787 0.4776793 -1.9426243 -0.2678755 -0.6281952 -0.1790974 -1.8320342 24 O -2.3868274 -0.4901027 0.5006787 -0.4776793 -1.9426243 -0.2678755 0.6281952 -0.1790974 -1.8320342 25 O -2.3868274 0.4901027 0.5006787 0.4776793 -1.9426243 0.2678755 0.6281952 0.1790974 -1.8320342 26 O -1.2761737 0.0000000 -0.3925776 0.0000000 -2.4927780 0.0000000 -0.4576151 0.0000000 -2.5745688 27 O -1.5258343 0.0000000 -0.7524856 0.0000000 -2.4467248 0.0000000 -0.5375455 0.0000000 -2.2346109 28 O -2.8167047 0.0000000 0.4330357 0.0000000 -1.7737080 0.0000000 0.5837594 0.0000000 -1.8533568 29 O -1.9607065 -0.2373439 0.3589992 0.0488552 -1.9692271 0.6978072 0.1855230 0.5376764 -2.1229441 30 O -1.9607065 0.2373439 0.3589992 -0.0488552 -1.9692271 -0.6978072 0.1855230 -0.5376764 -2.1229441 31 O -1.9607065 -0.2373439 0.3589992 0.0488552 -1.9692271 0.6978072 0.1855230 0.5376764 -2.1229441 32 O -1.9607065 0.2373439 0.3589992 -0.0488552 -1.9692271 -0.6978072 0.1855230 -0.5376764 -2.1229441 33 O -2.8167047 0.0000000 0.4330357 0.0000000 -1.7737080 0.0000000 0.5837594 0.0000000 -1.8533568 34 O -1.5258343 0.0000000 -0.7524856 0.0000000 -2.4467248 0.0000000 -0.5375455 0.0000000 -2.2346109 35 O -1.2761737 0.0000000 -0.3925776 0.0000000 -2.4927780 0.0000000 -0.4576151 0.0000000 -2.5745688 36 O -2.3868274 -0.4901027 0.5006787 -0.4776793 -1.9426243 -0.2678755 0.6281952 -0.1790974 -1.8320342 37 O -2.3868274 0.4901027 0.5006787 0.4776793 -1.9426243 0.2678755 0.6281952 0.1790974 -1.8320342 38 O -2.3868274 -0.4901027 -0.5006787 -0.4776793 -1.9426243 0.2678755 -0.6281952 0.1790974 -1.8320342 39 O -2.3868274 0.4901027 -0.5006787 0.4776793 -1.9426243 -0.2678755 -0.6281952 -0.1790974 -1.8320342 40 O -1.2761737 0.0000000 0.3925776 0.0000000 -2.4927780 0.0000000 0.4576151 0.0000000 -2.5745688 41 O -1.5258343 0.0000000 0.7524856 0.0000000 -2.4467248 0.0000000 0.5375455 0.0000000 -2.2346109 42 O -2.8167047 0.0000000 -0.4330357 0.0000000 -1.7737080 0.0000000 -0.5837594 0.0000000 -1.8533568 43 O -1.9607065 -0.2373439 -0.3589992 0.0488552 -1.9692271 -0.6978072 -0.1855230 -0.5376764 -2.1229441 44 O -1.9607065 0.2373439 -0.3589992 -0.0488552 -1.9692271 0.6978072 -0.1855230 0.5376764 -2.1229441 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2327 Number of blocks in projector: 2327 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 234 eigenvectors found. (2) Block: 584 / 584 (2) 74 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 325 Use standard eigh solver. Tree of FC basis block matrices: - (2327, 2275), data: False |-- (325, 317), data: True |-- (325, 317), data: True |-- (325, 317), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 26), data: (584, 42) @ (42, 26) |-- (84, 74), data: True |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.602 Solver_block: 200 / 720 - Time: 0.474 Solver_block: 300 / 720 - Time: 0.475 Solver_block: 400 / 720 - Time: 0.483 Solver_block: 500 / 720 - Time: 0.476 Solver_block: 600 / 720 - Time: 0.476 Solver_block: 700 / 720 - Time: 0.478 Solver_block: 720 / 720 - Time: 0.200 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.751 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2327 Number of blocks in projector: 2327 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 234 eigenvectors found. (2) Block: 584 / 584 (2) 74 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 325 Use standard eigh solver. Tree of FC basis block matrices: - (2327, 2275), data: False |-- (325, 317), data: True |-- (325, 317), data: True |-- (325, 317), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 26), data: (584, 42) @ (42, 26) |-- (84, 74), data: True |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:56:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:56:32]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.691837990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.210166729999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.222407000000000 Atomic positions (fractional): 1 Dy 0.87594297331838 0.51613429439578 0.33741042394000 162.500 2 Dy 0.87594297331838 0.98386570560422 0.33741042394000 162.500 3 Dy 0.62405702668162 0.48386570560422 0.83741042394000 162.500 4 Dy 0.62405702668162 0.01613429439578 0.83741042394000 162.500 5 Dy 0.37594297331838 0.51613429439578 0.16258957606000 162.500 6 Dy 0.37594297331838 0.98386570560422 0.16258957606000 162.500 7 Dy 0.12405702668162 0.48386570560422 0.66258957606000 162.500 8 Dy 0.12405702668162 0.01613429439578 0.66258957606000 162.500 9 Ge 0.94881478791939 0.25000000000000 0.87222664038068 72.640 10 Ge 0.81273007328706 0.75000000000000 0.87402357369217 72.640 11 Ge 0.68726992671294 0.25000000000000 0.37402357369217 72.640 12 Ge 0.55118521208061 0.75000000000000 0.37222664038068 72.640 13 Ge 0.44881478791939 0.25000000000000 0.62777335961932 72.640 14 Ge 0.31273007328706 0.75000000000000 0.62597642630783 72.640 15 Ge 0.18726992671294 0.25000000000000 0.12597642630783 72.640 16 Ge 0.05118521208061 0.75000000000000 0.12777335961932 72.640 17 O 0.95006487703810 0.06672591043001 0.70274591084550 15.999 18 O 0.95006487703810 0.43327408956999 0.70274591084550 15.999 19 O 0.91898767119999 0.75000000000000 0.08176912144366 15.999 20 O 0.89009742005263 0.25000000000000 0.16974075362780 15.999 21 O 0.84544941078158 0.75000000000000 0.55397551333776 15.999 22 O 0.76243330931011 0.57406533559422 0.00775315234104 15.999 23 O 0.76243330931011 0.92593466440578 0.00775315234104 15.999 24 O 0.73756669068989 0.42593466440578 0.50775315234105 15.999 25 O 0.73756669068989 0.07406533559422 0.50775315234105 15.999 26 O 0.65455058921842 0.25000000000000 0.05397551333776 15.999 27 O 0.60990257994737 0.75000000000000 0.66974075362779 15.999 28 O 0.58101232880001 0.25000000000000 0.58176912144366 15.999 29 O 0.54993512296190 0.93327408956999 0.20274591084550 15.999 30 O 0.54993512296190 0.56672591043001 0.20274591084550 15.999 31 O 0.45006487703810 0.06672591043001 0.79725408915450 15.999 32 O 0.45006487703810 0.43327408956999 0.79725408915450 15.999 33 O 0.41898767119999 0.75000000000000 0.41823087855634 15.999 34 O 0.39009742005263 0.25000000000000 0.33025924637220 15.999 35 O 0.34544941078158 0.75000000000000 0.94602448666224 15.999 36 O 0.26243330931011 0.57406533559422 0.49224684765895 15.999 37 O 0.26243330931011 0.92593466440578 0.49224684765895 15.999 38 O 0.23756669068989 0.42593466440578 0.99224684765895 15.999 39 O 0.23756669068989 0.07406533559422 0.99224684765895 15.999 40 O 0.15455058921842 0.25000000000000 0.44602448666224 15.999 41 O 0.10990257994737 0.75000000000000 0.83025924637221 15.999 42 O 0.08101232880001 0.25000000000000 0.91823087855634 15.999 43 O 0.04993512296190 0.93327408956999 0.29725408915450 15.999 44 O 0.04993512296190 0.56672591043001 0.29725408915450 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.691837990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.210166729999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.444813999999999 Atomic positions (fractional): 1 Dy 0.87594297331838 0.51613429439578 0.16870521197000 162.500 > 1 2 Dy 0.87594297331838 0.51613429439578 0.66870521197000 162.500 > 1 3 Dy 0.87594297331838 0.98386570560422 0.16870521197000 162.500 > 3 4 Dy 0.87594297331838 0.98386570560422 0.66870521197000 162.500 > 3 5 Dy 0.62405702668162 0.48386570560422 0.41870521197000 162.500 > 5 6 Dy 0.62405702668162 0.48386570560422 0.91870521197000 162.500 > 5 7 Dy 0.62405702668162 0.01613429439578 0.41870521197000 162.500 > 7 8 Dy 0.62405702668162 0.01613429439578 0.91870521197000 162.500 > 7 9 Dy 0.37594297331838 0.51613429439578 0.08129478803000 162.500 > 9 10 Dy 0.37594297331838 0.51613429439578 0.58129478803000 162.500 > 9 11 Dy 0.37594297331838 0.98386570560422 0.08129478803000 162.500 > 11 12 Dy 0.37594297331838 0.98386570560422 0.58129478803000 162.500 > 11 13 Dy 0.12405702668162 0.48386570560422 0.33129478803000 162.500 > 13 14 Dy 0.12405702668162 0.48386570560422 0.83129478803000 162.500 > 13 15 Dy 0.12405702668162 0.01613429439578 0.33129478803000 162.500 > 15 16 Dy 0.12405702668162 0.01613429439578 0.83129478803000 162.500 > 15 17 Ge 0.94881478791939 0.25000000000000 0.43611332019034 72.640 > 17 18 Ge 0.94881478791939 0.25000000000000 0.93611332019034 72.640 > 17 19 Ge 0.81273007328706 0.75000000000000 0.43701178684609 72.640 > 19 20 Ge 0.81273007328706 0.75000000000000 0.93701178684609 72.640 > 19 21 Ge 0.68726992671294 0.25000000000000 0.18701178684609 72.640 > 21 22 Ge 0.68726992671294 0.25000000000000 0.68701178684609 72.640 > 21 23 Ge 0.55118521208061 0.75000000000000 0.18611332019034 72.640 > 23 24 Ge 0.55118521208061 0.75000000000000 0.68611332019034 72.640 > 23 25 Ge 0.44881478791939 0.25000000000000 0.31388667980966 72.640 > 25 26 Ge 0.44881478791939 0.25000000000000 0.81388667980966 72.640 > 25 27 Ge 0.31273007328706 0.75000000000000 0.31298821315391 72.640 > 27 28 Ge 0.31273007328706 0.75000000000000 0.81298821315391 72.640 > 27 29 Ge 0.18726992671294 0.25000000000000 0.06298821315391 72.640 > 29 30 Ge 0.18726992671294 0.25000000000000 0.56298821315391 72.640 > 29 31 Ge 0.05118521208061 0.75000000000000 0.06388667980966 72.640 > 31 32 Ge 0.05118521208061 0.75000000000000 0.56388667980966 72.640 > 31 33 O 0.95006487703810 0.06672591043001 0.35137295542275 15.999 > 33 34 O 0.95006487703810 0.06672591043001 0.85137295542275 15.999 > 33 35 O 0.95006487703810 0.43327408956999 0.35137295542275 15.999 > 35 36 O 0.95006487703810 0.43327408956999 0.85137295542275 15.999 > 35 37 O 0.91898767119999 0.75000000000000 0.04088456072183 15.999 > 37 38 O 0.91898767119999 0.75000000000000 0.54088456072183 15.999 > 37 39 O 0.89009742005263 0.25000000000000 0.08487037681390 15.999 > 39 40 O 0.89009742005263 0.25000000000000 0.58487037681390 15.999 > 39 41 O 0.84544941078158 0.75000000000000 0.27698775666888 15.999 > 41 42 O 0.84544941078158 0.75000000000000 0.77698775666888 15.999 > 41 43 O 0.76243330931011 0.57406533559422 0.00387657617052 15.999 > 43 44 O 0.76243330931011 0.57406533559422 0.50387657617052 15.999 > 43 45 O 0.76243330931011 0.92593466440578 0.00387657617052 15.999 > 45 46 O 0.76243330931011 0.92593466440578 0.50387657617052 15.999 > 45 47 O 0.73756669068989 0.42593466440578 0.25387657617052 15.999 > 47 48 O 0.73756669068989 0.42593466440578 0.75387657617052 15.999 > 47 49 O 0.73756669068989 0.07406533559422 0.25387657617052 15.999 > 49 50 O 0.73756669068989 0.07406533559422 0.75387657617052 15.999 > 49 51 O 0.65455058921842 0.25000000000000 0.02698775666888 15.999 > 51 52 O 0.65455058921842 0.25000000000000 0.52698775666888 15.999 > 51 53 O 0.60990257994737 0.75000000000000 0.33487037681390 15.999 > 53 54 O 0.60990257994737 0.75000000000000 0.83487037681390 15.999 > 53 55 O 0.58101232880001 0.25000000000000 0.29088456072183 15.999 > 55 56 O 0.58101232880001 0.25000000000000 0.79088456072183 15.999 > 55 57 O 0.54993512296190 0.93327408956999 0.10137295542275 15.999 > 57 58 O 0.54993512296190 0.93327408956999 0.60137295542275 15.999 > 57 59 O 0.54993512296190 0.56672591043001 0.10137295542275 15.999 > 59 60 O 0.54993512296190 0.56672591043001 0.60137295542275 15.999 > 59 61 O 0.45006487703810 0.06672591043001 0.39862704457725 15.999 > 61 62 O 0.45006487703810 0.06672591043001 0.89862704457725 15.999 > 61 63 O 0.45006487703810 0.43327408956999 0.39862704457725 15.999 > 63 64 O 0.45006487703810 0.43327408956999 0.89862704457725 15.999 > 63 65 O 0.41898767119999 0.75000000000000 0.20911543927817 15.999 > 65 66 O 0.41898767119999 0.75000000000000 0.70911543927817 15.999 > 65 67 O 0.39009742005263 0.25000000000000 0.16512962318610 15.999 > 67 68 O 0.39009742005263 0.25000000000000 0.66512962318610 15.999 > 67 69 O 0.34544941078158 0.75000000000000 0.47301224333112 15.999 > 69 70 O 0.34544941078158 0.75000000000000 0.97301224333112 15.999 > 69 71 O 0.26243330931011 0.57406533559422 0.24612342382948 15.999 > 71 72 O 0.26243330931011 0.57406533559422 0.74612342382948 15.999 > 71 73 O 0.26243330931011 0.92593466440578 0.24612342382948 15.999 > 73 74 O 0.26243330931011 0.92593466440578 0.74612342382948 15.999 > 73 75 O 0.23756669068989 0.42593466440578 0.49612342382948 15.999 > 75 76 O 0.23756669068989 0.42593466440578 0.99612342382948 15.999 > 75 77 O 0.23756669068989 0.07406533559422 0.49612342382948 15.999 > 77 78 O 0.23756669068989 0.07406533559422 0.99612342382948 15.999 > 77 79 O 0.15455058921842 0.25000000000000 0.22301224333112 15.999 > 79 80 O 0.15455058921842 0.25000000000000 0.72301224333112 15.999 > 79 81 O 0.10990257994737 0.75000000000000 0.41512962318610 15.999 > 81 82 O 0.10990257994737 0.75000000000000 0.91512962318610 15.999 > 81 83 O 0.08101232880001 0.25000000000000 0.45911543927817 15.999 > 83 84 O 0.08101232880001 0.25000000000000 0.95911543927817 15.999 > 83 85 O 0.04993512296190 0.93327408956999 0.14862704457725 15.999 > 85 86 O 0.04993512296190 0.93327408956999 0.64862704457725 15.999 > 85 87 O 0.04993512296190 0.56672591043001 0.14862704457725 15.999 > 87 88 O 0.04993512296190 0.56672591043001 0.64862704457725 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6557836 0.0000000 0.0000000 0.0000000 3.7640391 0.0000000 0.0000000 0.0000000 3.7955834 -------------------------- Born effective charges -------------------------- 1 Dy 3.9053237 -0.0748913 0.0756210 0.1898652 4.0023435 -0.3780993 0.1944846 0.2634358 3.8950376 2 Dy 3.9053237 0.0748913 0.0756210 -0.1898652 4.0023435 0.3780993 0.1944846 -0.2634358 3.8950376 3 Dy 3.9053237 -0.0748913 -0.0756210 0.1898652 4.0023435 0.3780993 -0.1944846 -0.2634358 3.8950376 4 Dy 3.9053237 0.0748913 -0.0756210 -0.1898652 4.0023435 -0.3780993 -0.1944846 0.2634358 3.8950376 5 Dy 3.9053237 -0.0748913 -0.0756210 0.1898652 4.0023435 0.3780993 -0.1944846 -0.2634358 3.8950376 6 Dy 3.9053237 0.0748913 -0.0756210 -0.1898652 4.0023435 -0.3780993 -0.1944846 0.2634358 3.8950376 7 Dy 3.9053237 -0.0748913 0.0756210 0.1898652 4.0023435 -0.3780993 0.1944846 0.2634358 3.8950376 8 Dy 3.9053237 0.0748913 0.0756210 -0.1898652 4.0023435 0.3780993 0.1944846 -0.2634358 3.8950376 9 Ge 3.2327771 0.0000000 -0.3868056 0.0000000 3.2309415 0.0000000 -0.2070971 0.0000000 3.2339576 10 Ge 3.2703560 0.0000000 0.0761086 0.0000000 3.3012851 0.0000000 0.2999269 0.0000000 3.5484601 11 Ge 3.2703560 0.0000000 -0.0761086 0.0000000 3.3012851 0.0000000 -0.2999269 0.0000000 3.5484601 12 Ge 3.2327771 0.0000000 0.3868056 0.0000000 3.2309415 0.0000000 0.2070971 0.0000000 3.2339576 13 Ge 3.2327771 0.0000000 0.3868056 0.0000000 3.2309415 0.0000000 0.2070971 0.0000000 3.2339576 14 Ge 3.2703560 0.0000000 -0.0761086 0.0000000 3.3012851 0.0000000 -0.2999269 0.0000000 3.5484601 15 Ge 3.2703560 0.0000000 0.0761086 0.0000000 3.3012851 0.0000000 0.2999269 0.0000000 3.5484601 16 Ge 3.2327771 0.0000000 -0.3868056 0.0000000 3.2309415 0.0000000 -0.2070971 0.0000000 3.2339576 17 O -1.9607065 -0.2373439 -0.3589992 0.0488552 -1.9692271 -0.6978072 -0.1855230 -0.5376764 -2.1229441 18 O -1.9607065 0.2373439 -0.3589992 -0.0488552 -1.9692271 0.6978072 -0.1855230 0.5376764 -2.1229441 19 O -2.8167047 0.0000000 -0.4330357 0.0000000 -1.7737080 0.0000000 -0.5837594 0.0000000 -1.8533568 20 O -1.5258343 0.0000000 0.7524856 0.0000000 -2.4467248 0.0000000 0.5375455 0.0000000 -2.2346109 21 O -1.2761737 0.0000000 0.3925776 0.0000000 -2.4927780 0.0000000 0.4576151 0.0000000 -2.5745688 22 O -2.3868274 -0.4901027 -0.5006787 -0.4776793 -1.9426243 0.2678755 -0.6281952 0.1790974 -1.8320342 23 O -2.3868274 0.4901027 -0.5006787 0.4776793 -1.9426243 -0.2678755 -0.6281952 -0.1790974 -1.8320342 24 O -2.3868274 -0.4901027 0.5006787 -0.4776793 -1.9426243 -0.2678755 0.6281952 -0.1790974 -1.8320342 25 O -2.3868274 0.4901027 0.5006787 0.4776793 -1.9426243 0.2678755 0.6281952 0.1790974 -1.8320342 26 O -1.2761737 0.0000000 -0.3925776 0.0000000 -2.4927780 0.0000000 -0.4576151 0.0000000 -2.5745688 27 O -1.5258343 0.0000000 -0.7524856 0.0000000 -2.4467248 0.0000000 -0.5375455 0.0000000 -2.2346109 28 O -2.8167047 0.0000000 0.4330357 0.0000000 -1.7737080 0.0000000 0.5837594 0.0000000 -1.8533568 29 O -1.9607065 -0.2373439 0.3589992 0.0488552 -1.9692271 0.6978072 0.1855230 0.5376764 -2.1229441 30 O -1.9607065 0.2373439 0.3589992 -0.0488552 -1.9692271 -0.6978072 0.1855230 -0.5376764 -2.1229441 31 O -1.9607065 -0.2373439 0.3589992 0.0488552 -1.9692271 0.6978072 0.1855230 0.5376764 -2.1229441 32 O -1.9607065 0.2373439 0.3589992 -0.0488552 -1.9692271 -0.6978072 0.1855230 -0.5376764 -2.1229441 33 O -2.8167047 0.0000000 0.4330357 0.0000000 -1.7737080 0.0000000 0.5837594 0.0000000 -1.8533568 34 O -1.5258343 0.0000000 -0.7524856 0.0000000 -2.4467248 0.0000000 -0.5375455 0.0000000 -2.2346109 35 O -1.2761737 0.0000000 -0.3925776 0.0000000 -2.4927780 0.0000000 -0.4576151 0.0000000 -2.5745688 36 O -2.3868274 -0.4901027 0.5006787 -0.4776793 -1.9426243 -0.2678755 0.6281952 -0.1790974 -1.8320342 37 O -2.3868274 0.4901027 0.5006787 0.4776793 -1.9426243 0.2678755 0.6281952 0.1790974 -1.8320342 38 O -2.3868274 -0.4901027 -0.5006787 -0.4776793 -1.9426243 0.2678755 -0.6281952 0.1790974 -1.8320342 39 O -2.3868274 0.4901027 -0.5006787 0.4776793 -1.9426243 -0.2678755 -0.6281952 -0.1790974 -1.8320342 40 O -1.2761737 0.0000000 0.3925776 0.0000000 -2.4927780 0.0000000 0.4576151 0.0000000 -2.5745688 41 O -1.5258343 0.0000000 0.7524856 0.0000000 -2.4467248 0.0000000 0.5375455 0.0000000 -2.2346109 42 O -2.8167047 0.0000000 -0.4330357 0.0000000 -1.7737080 0.0000000 -0.5837594 0.0000000 -1.8533568 43 O -1.9607065 -0.2373439 -0.3589992 0.0488552 -1.9692271 -0.6978072 -0.1855230 -0.5376764 -2.1229441 44 O -1.9607065 0.2373439 -0.3589992 -0.0488552 -1.9692271 0.6978072 -0.1855230 0.5376764 -2.1229441 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (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 2026-01-09 02:56:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:56:56]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.691837990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.210166729999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.222407000000000 Atomic positions (fractional): 1 Dy 0.87594297331838 0.51613429439578 0.33741042394000 162.500 2 Dy 0.87594297331838 0.98386570560422 0.33741042394000 162.500 3 Dy 0.62405702668162 0.48386570560422 0.83741042394000 162.500 4 Dy 0.62405702668162 0.01613429439578 0.83741042394000 162.500 5 Dy 0.37594297331838 0.51613429439578 0.16258957606000 162.500 6 Dy 0.37594297331838 0.98386570560422 0.16258957606000 162.500 7 Dy 0.12405702668162 0.48386570560422 0.66258957606000 162.500 8 Dy 0.12405702668162 0.01613429439578 0.66258957606000 162.500 9 Ge 0.94881478791939 0.25000000000000 0.87222664038068 72.640 10 Ge 0.81273007328706 0.75000000000000 0.87402357369217 72.640 11 Ge 0.68726992671294 0.25000000000000 0.37402357369217 72.640 12 Ge 0.55118521208061 0.75000000000000 0.37222664038068 72.640 13 Ge 0.44881478791939 0.25000000000000 0.62777335961932 72.640 14 Ge 0.31273007328706 0.75000000000000 0.62597642630783 72.640 15 Ge 0.18726992671294 0.25000000000000 0.12597642630783 72.640 16 Ge 0.05118521208061 0.75000000000000 0.12777335961932 72.640 17 O 0.95006487703810 0.06672591043001 0.70274591084550 15.999 18 O 0.95006487703810 0.43327408956999 0.70274591084550 15.999 19 O 0.91898767119999 0.75000000000000 0.08176912144366 15.999 20 O 0.89009742005263 0.25000000000000 0.16974075362780 15.999 21 O 0.84544941078158 0.75000000000000 0.55397551333776 15.999 22 O 0.76243330931011 0.57406533559422 0.00775315234104 15.999 23 O 0.76243330931011 0.92593466440578 0.00775315234104 15.999 24 O 0.73756669068989 0.42593466440578 0.50775315234105 15.999 25 O 0.73756669068989 0.07406533559422 0.50775315234105 15.999 26 O 0.65455058921842 0.25000000000000 0.05397551333776 15.999 27 O 0.60990257994737 0.75000000000000 0.66974075362779 15.999 28 O 0.58101232880001 0.25000000000000 0.58176912144366 15.999 29 O 0.54993512296190 0.93327408956999 0.20274591084550 15.999 30 O 0.54993512296190 0.56672591043001 0.20274591084550 15.999 31 O 0.45006487703810 0.06672591043001 0.79725408915450 15.999 32 O 0.45006487703810 0.43327408956999 0.79725408915450 15.999 33 O 0.41898767119999 0.75000000000000 0.41823087855634 15.999 34 O 0.39009742005263 0.25000000000000 0.33025924637220 15.999 35 O 0.34544941078158 0.75000000000000 0.94602448666224 15.999 36 O 0.26243330931011 0.57406533559422 0.49224684765895 15.999 37 O 0.26243330931011 0.92593466440578 0.49224684765895 15.999 38 O 0.23756669068989 0.42593466440578 0.99224684765895 15.999 39 O 0.23756669068989 0.07406533559422 0.99224684765895 15.999 40 O 0.15455058921842 0.25000000000000 0.44602448666224 15.999 41 O 0.10990257994737 0.75000000000000 0.83025924637221 15.999 42 O 0.08101232880001 0.25000000000000 0.91823087855634 15.999 43 O 0.04993512296190 0.93327408956999 0.29725408915450 15.999 44 O 0.04993512296190 0.56672591043001 0.29725408915450 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.691837990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.210166729999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.444813999999999 Atomic positions (fractional): 1 Dy 0.87594297331838 0.51613429439578 0.16870521197000 162.500 > 1 2 Dy 0.87594297331838 0.51613429439578 0.66870521197000 162.500 > 1 3 Dy 0.87594297331838 0.98386570560422 0.16870521197000 162.500 > 3 4 Dy 0.87594297331838 0.98386570560422 0.66870521197000 162.500 > 3 5 Dy 0.62405702668162 0.48386570560422 0.41870521197000 162.500 > 5 6 Dy 0.62405702668162 0.48386570560422 0.91870521197000 162.500 > 5 7 Dy 0.62405702668162 0.01613429439578 0.41870521197000 162.500 > 7 8 Dy 0.62405702668162 0.01613429439578 0.91870521197000 162.500 > 7 9 Dy 0.37594297331838 0.51613429439578 0.08129478803000 162.500 > 9 10 Dy 0.37594297331838 0.51613429439578 0.58129478803000 162.500 > 9 11 Dy 0.37594297331838 0.98386570560422 0.08129478803000 162.500 > 11 12 Dy 0.37594297331838 0.98386570560422 0.58129478803000 162.500 > 11 13 Dy 0.12405702668162 0.48386570560422 0.33129478803000 162.500 > 13 14 Dy 0.12405702668162 0.48386570560422 0.83129478803000 162.500 > 13 15 Dy 0.12405702668162 0.01613429439578 0.33129478803000 162.500 > 15 16 Dy 0.12405702668162 0.01613429439578 0.83129478803000 162.500 > 15 17 Ge 0.94881478791939 0.25000000000000 0.43611332019034 72.640 > 17 18 Ge 0.94881478791939 0.25000000000000 0.93611332019034 72.640 > 17 19 Ge 0.81273007328706 0.75000000000000 0.43701178684609 72.640 > 19 20 Ge 0.81273007328706 0.75000000000000 0.93701178684609 72.640 > 19 21 Ge 0.68726992671294 0.25000000000000 0.18701178684609 72.640 > 21 22 Ge 0.68726992671294 0.25000000000000 0.68701178684609 72.640 > 21 23 Ge 0.55118521208061 0.75000000000000 0.18611332019034 72.640 > 23 24 Ge 0.55118521208061 0.75000000000000 0.68611332019034 72.640 > 23 25 Ge 0.44881478791939 0.25000000000000 0.31388667980966 72.640 > 25 26 Ge 0.44881478791939 0.25000000000000 0.81388667980966 72.640 > 25 27 Ge 0.31273007328706 0.75000000000000 0.31298821315391 72.640 > 27 28 Ge 0.31273007328706 0.75000000000000 0.81298821315391 72.640 > 27 29 Ge 0.18726992671294 0.25000000000000 0.06298821315391 72.640 > 29 30 Ge 0.18726992671294 0.25000000000000 0.56298821315391 72.640 > 29 31 Ge 0.05118521208061 0.75000000000000 0.06388667980966 72.640 > 31 32 Ge 0.05118521208061 0.75000000000000 0.56388667980966 72.640 > 31 33 O 0.95006487703810 0.06672591043001 0.35137295542275 15.999 > 33 34 O 0.95006487703810 0.06672591043001 0.85137295542275 15.999 > 33 35 O 0.95006487703810 0.43327408956999 0.35137295542275 15.999 > 35 36 O 0.95006487703810 0.43327408956999 0.85137295542275 15.999 > 35 37 O 0.91898767119999 0.75000000000000 0.04088456072183 15.999 > 37 38 O 0.91898767119999 0.75000000000000 0.54088456072183 15.999 > 37 39 O 0.89009742005263 0.25000000000000 0.08487037681390 15.999 > 39 40 O 0.89009742005263 0.25000000000000 0.58487037681390 15.999 > 39 41 O 0.84544941078158 0.75000000000000 0.27698775666888 15.999 > 41 42 O 0.84544941078158 0.75000000000000 0.77698775666888 15.999 > 41 43 O 0.76243330931011 0.57406533559422 0.00387657617052 15.999 > 43 44 O 0.76243330931011 0.57406533559422 0.50387657617052 15.999 > 43 45 O 0.76243330931011 0.92593466440578 0.00387657617052 15.999 > 45 46 O 0.76243330931011 0.92593466440578 0.50387657617052 15.999 > 45 47 O 0.73756669068989 0.42593466440578 0.25387657617052 15.999 > 47 48 O 0.73756669068989 0.42593466440578 0.75387657617052 15.999 > 47 49 O 0.73756669068989 0.07406533559422 0.25387657617052 15.999 > 49 50 O 0.73756669068989 0.07406533559422 0.75387657617052 15.999 > 49 51 O 0.65455058921842 0.25000000000000 0.02698775666888 15.999 > 51 52 O 0.65455058921842 0.25000000000000 0.52698775666888 15.999 > 51 53 O 0.60990257994737 0.75000000000000 0.33487037681390 15.999 > 53 54 O 0.60990257994737 0.75000000000000 0.83487037681390 15.999 > 53 55 O 0.58101232880001 0.25000000000000 0.29088456072183 15.999 > 55 56 O 0.58101232880001 0.25000000000000 0.79088456072183 15.999 > 55 57 O 0.54993512296190 0.93327408956999 0.10137295542275 15.999 > 57 58 O 0.54993512296190 0.93327408956999 0.60137295542275 15.999 > 57 59 O 0.54993512296190 0.56672591043001 0.10137295542275 15.999 > 59 60 O 0.54993512296190 0.56672591043001 0.60137295542275 15.999 > 59 61 O 0.45006487703810 0.06672591043001 0.39862704457725 15.999 > 61 62 O 0.45006487703810 0.06672591043001 0.89862704457725 15.999 > 61 63 O 0.45006487703810 0.43327408956999 0.39862704457725 15.999 > 63 64 O 0.45006487703810 0.43327408956999 0.89862704457725 15.999 > 63 65 O 0.41898767119999 0.75000000000000 0.20911543927817 15.999 > 65 66 O 0.41898767119999 0.75000000000000 0.70911543927817 15.999 > 65 67 O 0.39009742005263 0.25000000000000 0.16512962318610 15.999 > 67 68 O 0.39009742005263 0.25000000000000 0.66512962318610 15.999 > 67 69 O 0.34544941078158 0.75000000000000 0.47301224333112 15.999 > 69 70 O 0.34544941078158 0.75000000000000 0.97301224333112 15.999 > 69 71 O 0.26243330931011 0.57406533559422 0.24612342382948 15.999 > 71 72 O 0.26243330931011 0.57406533559422 0.74612342382948 15.999 > 71 73 O 0.26243330931011 0.92593466440578 0.24612342382948 15.999 > 73 74 O 0.26243330931011 0.92593466440578 0.74612342382948 15.999 > 73 75 O 0.23756669068989 0.42593466440578 0.49612342382948 15.999 > 75 76 O 0.23756669068989 0.42593466440578 0.99612342382948 15.999 > 75 77 O 0.23756669068989 0.07406533559422 0.49612342382948 15.999 > 77 78 O 0.23756669068989 0.07406533559422 0.99612342382948 15.999 > 77 79 O 0.15455058921842 0.25000000000000 0.22301224333112 15.999 > 79 80 O 0.15455058921842 0.25000000000000 0.72301224333112 15.999 > 79 81 O 0.10990257994737 0.75000000000000 0.41512962318610 15.999 > 81 82 O 0.10990257994737 0.75000000000000 0.91512962318610 15.999 > 81 83 O 0.08101232880001 0.25000000000000 0.45911543927817 15.999 > 83 84 O 0.08101232880001 0.25000000000000 0.95911543927817 15.999 > 83 85 O 0.04993512296190 0.93327408956999 0.14862704457725 15.999 > 85 86 O 0.04993512296190 0.93327408956999 0.64862704457725 15.999 > 85 87 O 0.04993512296190 0.56672591043001 0.14862704457725 15.999 > 87 88 O 0.04993512296190 0.56672591043001 0.64862704457725 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6557836 0.0000000 0.0000000 0.0000000 3.7640391 0.0000000 0.0000000 0.0000000 3.7955834 -------------------------- Born effective charges -------------------------- 1 Dy 3.9053237 -0.0748913 0.0756210 0.1898652 4.0023435 -0.3780993 0.1944846 0.2634358 3.8950376 2 Dy 3.9053237 0.0748913 0.0756210 -0.1898652 4.0023435 0.3780993 0.1944846 -0.2634358 3.8950376 3 Dy 3.9053237 -0.0748913 -0.0756210 0.1898652 4.0023435 0.3780993 -0.1944846 -0.2634358 3.8950376 4 Dy 3.9053237 0.0748913 -0.0756210 -0.1898652 4.0023435 -0.3780993 -0.1944846 0.2634358 3.8950376 5 Dy 3.9053237 -0.0748913 -0.0756210 0.1898652 4.0023435 0.3780993 -0.1944846 -0.2634358 3.8950376 6 Dy 3.9053237 0.0748913 -0.0756210 -0.1898652 4.0023435 -0.3780993 -0.1944846 0.2634358 3.8950376 7 Dy 3.9053237 -0.0748913 0.0756210 0.1898652 4.0023435 -0.3780993 0.1944846 0.2634358 3.8950376 8 Dy 3.9053237 0.0748913 0.0756210 -0.1898652 4.0023435 0.3780993 0.1944846 -0.2634358 3.8950376 9 Ge 3.2327771 0.0000000 -0.3868056 0.0000000 3.2309415 0.0000000 -0.2070971 0.0000000 3.2339576 10 Ge 3.2703560 0.0000000 0.0761086 0.0000000 3.3012851 0.0000000 0.2999269 0.0000000 3.5484601 11 Ge 3.2703560 0.0000000 -0.0761086 0.0000000 3.3012851 0.0000000 -0.2999269 0.0000000 3.5484601 12 Ge 3.2327771 0.0000000 0.3868056 0.0000000 3.2309415 0.0000000 0.2070971 0.0000000 3.2339576 13 Ge 3.2327771 0.0000000 0.3868056 0.0000000 3.2309415 0.0000000 0.2070971 0.0000000 3.2339576 14 Ge 3.2703560 0.0000000 -0.0761086 0.0000000 3.3012851 0.0000000 -0.2999269 0.0000000 3.5484601 15 Ge 3.2703560 0.0000000 0.0761086 0.0000000 3.3012851 0.0000000 0.2999269 0.0000000 3.5484601 16 Ge 3.2327771 0.0000000 -0.3868056 0.0000000 3.2309415 0.0000000 -0.2070971 0.0000000 3.2339576 17 O -1.9607065 -0.2373439 -0.3589992 0.0488552 -1.9692271 -0.6978072 -0.1855230 -0.5376764 -2.1229441 18 O -1.9607065 0.2373439 -0.3589992 -0.0488552 -1.9692271 0.6978072 -0.1855230 0.5376764 -2.1229441 19 O -2.8167047 0.0000000 -0.4330357 0.0000000 -1.7737080 0.0000000 -0.5837594 0.0000000 -1.8533568 20 O -1.5258343 0.0000000 0.7524856 0.0000000 -2.4467248 0.0000000 0.5375455 0.0000000 -2.2346109 21 O -1.2761737 0.0000000 0.3925776 0.0000000 -2.4927780 0.0000000 0.4576151 0.0000000 -2.5745688 22 O -2.3868274 -0.4901027 -0.5006787 -0.4776793 -1.9426243 0.2678755 -0.6281952 0.1790974 -1.8320342 23 O -2.3868274 0.4901027 -0.5006787 0.4776793 -1.9426243 -0.2678755 -0.6281952 -0.1790974 -1.8320342 24 O -2.3868274 -0.4901027 0.5006787 -0.4776793 -1.9426243 -0.2678755 0.6281952 -0.1790974 -1.8320342 25 O -2.3868274 0.4901027 0.5006787 0.4776793 -1.9426243 0.2678755 0.6281952 0.1790974 -1.8320342 26 O -1.2761737 0.0000000 -0.3925776 0.0000000 -2.4927780 0.0000000 -0.4576151 0.0000000 -2.5745688 27 O -1.5258343 0.0000000 -0.7524856 0.0000000 -2.4467248 0.0000000 -0.5375455 0.0000000 -2.2346109 28 O -2.8167047 0.0000000 0.4330357 0.0000000 -1.7737080 0.0000000 0.5837594 0.0000000 -1.8533568 29 O -1.9607065 -0.2373439 0.3589992 0.0488552 -1.9692271 0.6978072 0.1855230 0.5376764 -2.1229441 30 O -1.9607065 0.2373439 0.3589992 -0.0488552 -1.9692271 -0.6978072 0.1855230 -0.5376764 -2.1229441 31 O -1.9607065 -0.2373439 0.3589992 0.0488552 -1.9692271 0.6978072 0.1855230 0.5376764 -2.1229441 32 O -1.9607065 0.2373439 0.3589992 -0.0488552 -1.9692271 -0.6978072 0.1855230 -0.5376764 -2.1229441 33 O -2.8167047 0.0000000 0.4330357 0.0000000 -1.7737080 0.0000000 0.5837594 0.0000000 -1.8533568 34 O -1.5258343 0.0000000 -0.7524856 0.0000000 -2.4467248 0.0000000 -0.5375455 0.0000000 -2.2346109 35 O -1.2761737 0.0000000 -0.3925776 0.0000000 -2.4927780 0.0000000 -0.4576151 0.0000000 -2.5745688 36 O -2.3868274 -0.4901027 0.5006787 -0.4776793 -1.9426243 -0.2678755 0.6281952 -0.1790974 -1.8320342 37 O -2.3868274 0.4901027 0.5006787 0.4776793 -1.9426243 0.2678755 0.6281952 0.1790974 -1.8320342 38 O -2.3868274 -0.4901027 -0.5006787 -0.4776793 -1.9426243 0.2678755 -0.6281952 0.1790974 -1.8320342 39 O -2.3868274 0.4901027 -0.5006787 0.4776793 -1.9426243 -0.2678755 -0.6281952 -0.1790974 -1.8320342 40 O -1.2761737 0.0000000 0.3925776 0.0000000 -2.4927780 0.0000000 0.4576151 0.0000000 -2.5745688 41 O -1.5258343 0.0000000 0.7524856 0.0000000 -2.4467248 0.0000000 0.5375455 0.0000000 -2.2346109 42 O -2.8167047 0.0000000 -0.4330357 0.0000000 -1.7737080 0.0000000 -0.5837594 0.0000000 -1.8533568 43 O -1.9607065 -0.2373439 -0.3589992 0.0488552 -1.9692271 -0.6978072 -0.1855230 -0.5376764 -2.1229441 44 O -1.9607065 0.2373439 -0.3589992 -0.0488552 -1.9692271 0.6978072 -0.1855230 0.5376764 -2.1229441 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 6 10 ] 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: 0.50, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.118 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.690 ( 0.000 0.000 0.000) 0.000 7.938 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.345 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.463 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.853 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.369 ( 0.000 0.000 0.000) 0.000 9.554 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.980 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 11.384 ( 0.000 0.000 0.000) 0.000 11.474 ( 0.000 0.000 0.000) 0.000 11.495 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 12.022 ( 0.000 0.000 0.000) 0.000 12.035 ( 0.000 0.000 0.000) 0.000 12.245 ( 0.000 0.000 0.000) 0.000 12.471 ( 0.000 0.000 0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 12.752 ( 0.000 0.000 0.000) 0.000 12.982 ( 0.000 0.000 0.000) 0.000 12.994 ( 0.000 0.000 0.000) 0.000 12.997 ( 0.000 0.000 0.000) 0.000 13.155 ( 0.000 0.000 0.000) 0.000 14.152 ( 0.000 0.000 0.000) 0.000 14.458 ( 0.000 0.000 0.000) 0.000 14.881 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.326 ( 0.000 0.000 0.000) 0.000 15.594 ( 0.000 0.000 0.000) 0.000 16.062 ( 0.000 0.000 0.000) 0.000 20.362 ( 0.000 0.000 0.000) 0.000 20.421 ( 0.000 0.000 0.000) 0.000 20.590 ( 0.000 0.000 0.000) 0.000 20.913 ( 0.000 0.000 0.000) 0.000 21.066 ( 0.000 0.000 0.000) 0.000 21.297 ( 0.000 0.000 0.000) 0.000 21.576 ( 0.000 0.000 0.000) 0.000 21.640 ( 0.000 0.000 0.000) 0.000 21.644 ( 0.000 0.000 0.000) 0.000 21.659 ( 0.000 0.000 0.000) 0.000 21.889 ( 0.000 0.000 0.000) 0.000 22.132 ( 0.000 0.000 0.000) 0.000 22.158 ( 0.000 0.000 0.000) 0.000 22.651 ( 0.000 0.000 0.000) 0.000 22.701 ( 0.000 0.000 0.000) 0.000 22.768 ( 0.000 0.000 0.000) 0.000 22.774 ( 0.000 0.000 0.000) 0.000 22.929 ( 0.000 0.000 0.000) 0.000 22.948 ( 0.000 0.000 0.000) 0.000 22.952 ( 0.000 0.000 0.000) 0.000 23.326 ( 0.000 0.000 0.000) 0.000 23.327 ( 0.000 0.000 0.000) 0.000 23.628 ( 0.000 0.000 0.000) 0.000 23.817 ( 0.000 0.000 0.000) 0.000 25.283 ( 0.000 0.000 0.000) 0.000 25.359 ( 0.000 0.000 0.000) 0.000 25.467 ( 0.000 0.000 0.000) 0.000 25.662 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 27.568 0.000 0.000) 27.568 0.565 ( 30.503 0.000 0.000) 30.503 0.798 ( 40.487 0.000 0.000) 40.487 1.515 ( -19.279 0.000 0.000) 19.279 1.595 ( -24.745 0.000 0.000) 24.745 2.123 ( -17.260 0.000 0.000) 17.260 2.230 ( 14.419 0.000 0.000) 14.419 2.290 ( 12.605 0.000 0.000) 12.605 2.520 ( -2.919 0.000 0.000) 2.919 2.559 ( -1.636 0.000 0.000) 1.636 2.566 ( -5.473 0.000 0.000) 5.473 2.798 ( -22.634 0.000 0.000) 22.634 3.028 ( 11.616 0.000 0.000) 11.616 3.365 ( -5.747 0.000 0.000) 5.747 3.415 ( 0.633 0.000 0.000) 0.633 3.472 ( 3.211 0.000 0.000) 3.211 3.500 ( -2.129 0.000 0.000) 2.129 3.542 ( -0.964 0.000 0.000) 0.964 3.651 ( 2.499 0.000 0.000) 2.499 3.684 ( 1.319 0.000 0.000) 1.319 3.821 ( 14.000 0.000 0.000) 14.000 3.879 ( 1.720 0.000 0.000) 1.720 3.981 ( -3.602 0.000 0.000) 3.602 4.092 ( 13.441 0.000 0.000) 13.441 4.173 ( -7.334 0.000 0.000) 7.334 4.247 ( 3.525 0.000 0.000) 3.525 4.444 ( -7.711 0.000 0.000) 7.711 4.649 ( -8.089 0.000 0.000) 8.089 4.761 ( 0.745 0.000 0.000) 0.745 4.772 ( 9.099 0.000 0.000) 9.099 4.942 ( -7.158 0.000 0.000) 7.158 5.071 ( -6.318 0.000 0.000) 6.318 5.171 ( 3.657 0.000 0.000) 3.657 5.192 ( 0.941 0.000 0.000) 0.941 5.241 ( 2.815 0.000 0.000) 2.815 5.251 ( -0.036 0.000 0.000) 0.036 5.304 ( 1.676 0.000 0.000) 1.676 5.311 ( 1.082 0.000 0.000) 1.082 5.334 ( -0.062 0.000 0.000) 0.062 5.505 ( -6.225 0.000 0.000) 6.225 5.759 ( 2.026 0.000 0.000) 2.026 5.884 ( 4.616 0.000 0.000) 4.616 5.935 ( -8.132 0.000 0.000) 8.132 6.135 ( -5.995 0.000 0.000) 5.995 6.156 ( 4.530 0.000 0.000) 4.530 6.225 ( 6.588 0.000 0.000) 6.588 6.324 ( 2.547 0.000 0.000) 2.547 6.398 ( -7.129 0.000 0.000) 7.129 6.437 ( 0.742 0.000 0.000) 0.742 6.467 ( 3.128 0.000 0.000) 3.128 6.509 ( -0.715 0.000 0.000) 0.715 6.567 ( 0.462 0.000 0.000) 0.462 7.029 ( 5.576 0.000 0.000) 5.576 7.029 ( 8.227 0.000 0.000) 8.227 7.267 ( 14.567 0.000 0.000) 14.567 7.348 ( -9.458 0.000 0.000) 9.458 7.556 ( -13.183 0.000 0.000) 13.183 7.648 ( -1.904 0.000 0.000) 1.904 7.704 ( 4.587 0.000 0.000) 4.587 7.905 ( -3.728 0.000 0.000) 3.728 8.126 ( 2.988 0.000 0.000) 2.988 8.254 ( -8.541 0.000 0.000) 8.541 8.254 ( -10.334 0.000 0.000) 10.334 8.359 ( -8.830 0.000 0.000) 8.830 8.564 ( 5.728 0.000 0.000) 5.728 8.650 ( 1.276 0.000 0.000) 1.276 8.769 ( 3.755 0.000 0.000) 3.755 8.817 ( 1.863 0.000 0.000) 1.863 9.024 ( 14.532 0.000 0.000) 14.532 9.159 ( 1.632 0.000 0.000) 1.632 9.285 ( -4.306 0.000 0.000) 4.306 9.457 ( 5.449 0.000 0.000) 5.449 9.485 ( -7.460 0.000 0.000) 7.460 9.620 ( -2.272 0.000 0.000) 2.272 9.859 ( 6.097 0.000 0.000) 6.097 10.100 ( -4.525 0.000 0.000) 4.525 10.668 ( 7.990 0.000 0.000) 7.990 10.973 ( -5.920 0.000 0.000) 5.920 11.004 ( 2.460 0.000 0.000) 2.460 11.102 ( -0.457 0.000 0.000) 0.457 11.275 ( 1.633 0.000 0.000) 1.633 11.411 ( 2.534 0.000 0.000) 2.534 11.439 ( -4.267 0.000 0.000) 4.267 11.530 ( -4.880 0.000 0.000) 4.880 11.576 ( 1.122 0.000 0.000) 1.122 11.751 ( -8.777 0.000 0.000) 8.777 12.105 ( 5.369 0.000 0.000) 5.369 12.131 ( 8.564 0.000 0.000) 8.564 12.230 ( -1.633 0.000 0.000) 1.633 12.421 ( -5.225 0.000 0.000) 5.225 12.729 ( 0.452 0.000 0.000) 0.452 12.748 ( -0.379 0.000 0.000) 0.379 12.990 ( 0.663 0.000 0.000) 0.663 12.999 ( 0.187 0.000 0.000) 0.187 13.023 ( 2.828 0.000 0.000) 2.828 13.135 ( -2.119 0.000 0.000) 2.119 14.156 ( 0.409 0.000 0.000) 0.409 14.175 ( -0.414 0.000 0.000) 0.414 14.505 ( 5.099 0.000 0.000) 5.099 14.792 ( -8.123 0.000 0.000) 8.123 15.369 ( 6.169 0.000 0.000) 6.169 15.565 ( -3.124 0.000 0.000) 3.124 16.046 ( 0.298 0.000 0.000) 0.298 16.059 ( -0.283 0.000 0.000) 0.283 20.451 ( 3.101 0.000 0.000) 3.101 20.574 ( -1.908 0.000 0.000) 1.908 20.901 ( -0.923 0.000 0.000) 0.923 20.909 ( -1.046 0.000 0.000) 1.046 21.319 ( 2.384 0.000 0.000) 2.384 21.475 ( -6.074 0.000 0.000) 6.074 21.645 ( 0.175 0.000 0.000) 0.175 21.656 ( -0.288 0.000 0.000) 0.288 21.751 ( 7.002 0.000 0.000) 7.002 21.904 ( 1.609 0.000 0.000) 1.609 21.925 ( -2.224 0.000 0.000) 2.224 22.027 ( -5.296 0.000 0.000) 5.296 22.299 ( 9.278 0.000 0.000) 9.278 22.650 ( 0.229 0.000 0.000) 0.229 22.667 ( -9.258 0.000 0.000) 9.258 22.689 ( -1.202 0.000 0.000) 1.202 22.804 ( 2.859 0.000 0.000) 2.859 22.911 ( -1.930 0.000 0.000) 1.930 22.948 ( 0.051 0.000 0.000) 0.051 22.951 ( -0.082 0.000 0.000) 0.082 23.431 ( 9.578 0.000 0.000) 9.578 23.639 ( 1.161 0.000 0.000) 1.161 23.704 ( -1.684 0.000 0.000) 1.684 23.763 ( -5.789 0.000 0.000) 5.789 25.376 ( 1.753 0.000 0.000) 1.753 25.453 ( -1.547 0.000 0.000) 1.547 25.585 ( 1.449 0.000 0.000) 1.449 25.649 ( -1.302 0.000 0.000) 1.302 ======================= Grid point 2 (3/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -22.092 0.000 0.000) 22.092 0.985 ( 22.092 0.000 0.000) 22.092 1.106 ( -28.499 0.000 0.000) 28.499 1.106 ( 28.499 0.000 0.000) 28.499 1.629 ( -32.898 0.000 0.000) 32.898 1.629 ( 32.898 0.000 0.000) 32.898 2.456 ( -5.391 0.000 0.000) 5.391 2.456 ( 5.391 0.000 0.000) 5.391 2.480 ( -13.753 0.000 0.000) 13.753 2.480 ( 13.753 0.000 0.000) 13.753 2.520 ( -0.869 0.000 0.000) 0.869 2.520 ( 0.869 0.000 0.000) 0.869 3.226 ( -9.379 0.000 0.000) 9.379 3.226 ( 9.379 0.000 0.000) 9.379 3.449 ( -2.890 0.000 0.000) 2.890 3.449 ( 2.890 0.000 0.000) 2.890 3.516 ( -1.924 0.000 0.000) 1.924 3.516 ( 1.924 0.000 0.000) 1.924 3.689 ( -1.121 0.000 0.000) 1.121 3.689 ( 1.121 0.000 0.000) 1.121 3.920 ( -2.774 0.000 0.000) 2.774 3.920 ( 2.774 0.000 0.000) 2.774 4.017 ( -9.209 0.000 0.000) 9.209 4.017 ( 9.209 0.000 0.000) 9.209 4.325 ( -5.213 0.000 0.000) 5.213 4.325 ( 5.213 0.000 0.000) 5.213 4.405 ( -17.278 0.000 0.000) 17.278 4.405 ( 17.278 0.000 0.000) 17.278 4.823 ( -5.353 0.000 0.000) 5.353 4.823 ( 5.353 0.000 0.000) 5.353 4.933 ( -8.402 0.000 0.000) 8.402 4.933 ( 8.402 0.000 0.000) 8.402 5.206 ( -0.050 0.000 0.000) 0.050 5.206 ( 0.050 0.000 0.000) 0.050 5.256 ( -0.602 0.000 0.000) 0.602 5.256 ( 0.602 0.000 0.000) 0.602 5.327 ( -0.762 0.000 0.000) 0.762 5.327 ( 0.762 0.000 0.000) 0.762 5.383 ( -6.289 0.000 0.000) 6.289 5.383 ( 6.289 0.000 0.000) 6.289 5.815 ( -4.639 0.000 0.000) 4.639 5.815 ( 4.639 0.000 0.000) 4.639 6.004 ( -7.647 0.000 0.000) 7.647 6.004 ( 7.647 0.000 0.000) 7.647 6.265 ( -7.025 0.000 0.000) 7.025 6.265 ( 7.025 0.000 0.000) 7.025 6.324 ( -2.957 0.000 0.000) 2.957 6.324 ( 2.957 0.000 0.000) 2.957 6.467 ( -2.706 0.000 0.000) 2.706 6.467 ( 2.706 0.000 0.000) 2.706 6.534 ( -3.513 0.000 0.000) 3.513 6.534 ( 3.513 0.000 0.000) 3.513 7.167 ( -9.293 0.000 0.000) 9.293 7.167 ( 9.293 0.000 0.000) 9.293 7.272 ( -16.261 0.000 0.000) 16.261 7.272 ( 16.261 0.000 0.000) 16.261 7.531 ( -11.884 0.000 0.000) 11.884 7.531 ( 11.884 0.000 0.000) 11.884 7.809 ( -6.243 0.000 0.000) 6.243 7.809 ( 6.243 0.000 0.000) 6.243 8.149 ( -0.783 0.000 0.000) 0.783 8.149 ( 0.783 0.000 0.000) 0.783 8.213 ( -6.597 0.000 0.000) 6.597 8.213 ( 6.597 0.000 0.000) 6.597 8.642 ( -2.423 0.000 0.000) 2.423 8.642 ( 2.423 0.000 0.000) 2.423 8.822 ( -1.519 0.000 0.000) 1.519 8.822 ( 1.519 0.000 0.000) 1.519 9.210 ( -3.746 0.000 0.000) 3.746 9.210 ( 3.746 0.000 0.000) 3.746 9.290 ( -13.372 0.000 0.000) 13.372 9.290 ( 13.372 0.000 0.000) 13.372 9.555 ( -4.773 0.000 0.000) 4.773 9.555 ( 4.773 0.000 0.000) 4.773 9.989 ( -7.247 0.000 0.000) 7.247 9.989 ( 7.247 0.000 0.000) 7.247 10.835 ( -9.078 0.000 0.000) 9.078 10.835 ( 9.078 0.000 0.000) 9.078 11.062 ( -3.414 0.000 0.000) 3.414 11.062 ( 3.414 0.000 0.000) 3.414 11.339 ( -5.248 0.000 0.000) 5.248 11.339 ( 5.248 0.000 0.000) 5.248 11.463 ( -3.051 0.000 0.000) 3.051 11.463 ( 3.051 0.000 0.000) 3.051 11.623 ( -4.625 0.000 0.000) 4.625 11.623 ( 4.625 0.000 0.000) 4.625 12.185 ( -3.345 0.000 0.000) 3.345 12.185 ( 3.345 0.000 0.000) 3.345 12.293 ( -8.412 0.000 0.000) 8.412 12.293 ( 8.412 0.000 0.000) 8.412 12.739 ( -0.585 0.000 0.000) 0.585 12.739 ( 0.585 0.000 0.000) 0.585 12.999 ( -0.249 0.000 0.000) 0.249 12.999 ( 0.249 0.000 0.000) 0.249 13.083 ( -3.361 0.000 0.000) 3.361 13.083 ( 3.361 0.000 0.000) 3.361 14.166 ( -0.582 0.000 0.000) 0.582 14.166 ( 0.582 0.000 0.000) 0.582 14.633 ( -8.459 0.000 0.000) 8.459 14.633 ( 8.459 0.000 0.000) 8.459 15.483 ( -5.669 0.000 0.000) 5.669 15.483 ( 5.669 0.000 0.000) 5.669 16.053 ( -0.411 0.000 0.000) 0.411 16.053 ( 0.411 0.000 0.000) 0.411 20.519 ( -3.839 0.000 0.000) 3.839 20.519 ( 3.839 0.000 0.000) 3.839 20.894 ( -0.335 0.000 0.000) 0.335 20.894 ( 0.335 0.000 0.000) 0.335 21.380 ( -4.246 0.000 0.000) 4.246 21.380 ( 4.246 0.000 0.000) 4.246 21.650 ( -0.328 0.000 0.000) 0.328 21.650 ( 0.328 0.000 0.000) 0.328 21.861 ( -4.810 0.000 0.000) 4.810 21.861 ( 4.810 0.000 0.000) 4.810 21.949 ( -3.347 0.000 0.000) 3.347 21.949 ( 3.347 0.000 0.000) 3.347 22.481 ( -10.461 0.000 0.000) 10.461 22.481 ( 10.461 0.000 0.000) 10.461 22.664 ( -1.225 0.000 0.000) 1.225 22.664 ( 1.225 0.000 0.000) 1.225 22.863 ( -3.217 0.000 0.000) 3.217 22.863 ( 3.217 0.000 0.000) 3.217 22.950 ( -0.089 0.000 0.000) 0.089 22.950 ( 0.089 0.000 0.000) 0.089 23.617 ( -9.756 0.000 0.000) 9.756 23.617 ( 9.756 0.000 0.000) 9.756 23.668 ( -1.985 0.000 0.000) 1.985 23.668 ( 1.985 0.000 0.000) 1.985 25.416 ( -2.314 0.000 0.000) 2.314 25.416 ( 2.314 0.000 0.000) 2.314 25.618 ( -1.946 0.000 0.000) 1.946 25.618 ( 1.946 0.000 0.000) 1.946 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 0.000 28.436 0.000) 28.436 0.664 ( 0.000 32.816 0.000) 32.816 0.998 ( 0.000 46.544 0.000) 46.544 1.839 ( 0.000 7.284 0.000) 7.284 1.935 ( 0.000 -4.903 0.000) 4.903 2.006 ( 0.000 0.480 0.000) 0.480 2.112 ( 0.000 10.451 0.000) 10.451 2.385 ( 0.000 8.593 0.000) 8.593 2.437 ( 0.000 -11.487 0.000) 11.487 2.617 ( 0.000 3.605 0.000) 3.605 2.653 ( 0.000 -1.306 0.000) 1.306 2.821 ( 0.000 -2.152 0.000) 2.152 3.245 ( 0.000 -15.715 0.000) 15.715 3.250 ( 0.000 2.110 0.000) 2.110 3.309 ( 0.000 -4.717 0.000) 4.717 3.427 ( 0.000 1.002 0.000) 1.002 3.474 ( 0.000 -5.852 0.000) 5.852 3.588 ( 0.000 -1.077 0.000) 1.077 3.606 ( 0.000 4.589 0.000) 4.589 3.607 ( 0.000 -1.369 0.000) 1.369 3.691 ( 0.000 6.965 0.000) 6.965 3.880 ( 0.000 1.374 0.000) 1.374 3.971 ( 0.000 -0.796 0.000) 0.796 4.031 ( 0.000 1.766 0.000) 1.766 4.236 ( 0.000 2.819 0.000) 2.819 4.269 ( 0.000 1.746 0.000) 1.746 4.416 ( 0.000 -6.570 0.000) 6.570 4.428 ( 0.000 -14.441 0.000) 14.441 4.650 ( 0.000 2.956 0.000) 2.956 4.881 ( 0.000 3.731 0.000) 3.731 4.985 ( 0.000 -11.009 0.000) 11.009 5.045 ( 0.000 -1.686 0.000) 1.686 5.096 ( 0.000 -1.387 0.000) 1.387 5.165 ( 0.000 2.232 0.000) 2.232 5.202 ( 0.000 -6.958 0.000) 6.958 5.281 ( 0.000 8.576 0.000) 8.576 5.290 ( 0.000 2.829 0.000) 2.829 5.307 ( 0.000 3.459 0.000) 3.459 5.592 ( 0.000 -8.591 0.000) 8.591 5.657 ( 0.000 6.881 0.000) 6.881 5.703 ( 0.000 -12.164 0.000) 12.164 5.826 ( 0.000 -0.958 0.000) 0.958 5.976 ( 0.000 -7.243 0.000) 7.243 6.105 ( 0.000 -3.415 0.000) 3.415 6.230 ( 0.000 -9.564 0.000) 9.564 6.290 ( 0.000 2.760 0.000) 2.760 6.328 ( 0.000 8.815 0.000) 8.815 6.329 ( 0.000 14.312 0.000) 14.312 6.385 ( 0.000 -4.395 0.000) 4.395 6.485 ( 0.000 3.915 0.000) 3.915 6.645 ( 0.000 7.657 0.000) 7.657 6.806 ( 0.000 4.465 0.000) 4.465 6.831 ( 0.000 3.226 0.000) 3.226 7.003 ( 0.000 2.038 0.000) 2.038 7.013 ( 0.000 3.802 0.000) 3.802 7.466 ( 0.000 -0.918 0.000) 0.918 7.618 ( 0.000 -3.784 0.000) 3.784 7.685 ( 0.000 2.309 0.000) 2.309 7.719 ( 0.000 3.022 0.000) 3.022 7.916 ( 0.000 -2.671 0.000) 2.671 8.082 ( 0.000 -1.526 0.000) 1.526 8.266 ( 0.000 -5.683 0.000) 5.683 8.382 ( 0.000 -2.710 0.000) 2.710 8.477 ( 0.000 1.126 0.000) 1.126 8.513 ( 0.000 -9.103 0.000) 9.103 8.518 ( 0.000 3.008 0.000) 3.008 8.704 ( 0.000 -1.404 0.000) 1.404 8.741 ( 0.000 -4.399 0.000) 4.399 8.853 ( 0.000 4.367 0.000) 4.367 9.031 ( 0.000 2.967 0.000) 2.967 9.171 ( 0.000 2.260 0.000) 2.260 9.429 ( 0.000 5.237 0.000) 5.237 9.492 ( 0.000 -4.678 0.000) 4.678 9.668 ( 0.000 1.303 0.000) 1.303 9.727 ( 0.000 -0.384 0.000) 0.384 9.730 ( 0.000 -5.278 0.000) 5.278 10.693 ( 0.000 6.533 0.000) 6.533 10.888 ( 0.000 -7.285 0.000) 7.285 11.006 ( 0.000 2.503 0.000) 2.503 11.102 ( 0.000 -1.763 0.000) 1.763 11.389 ( 0.000 3.722 0.000) 3.722 11.442 ( 0.000 -3.104 0.000) 3.104 11.451 ( 0.000 -4.427 0.000) 4.427 11.480 ( 0.000 12.407 0.000) 12.407 11.735 ( 0.000 4.365 0.000) 4.365 11.898 ( 0.000 2.365 0.000) 2.365 12.023 ( 0.000 -1.111 0.000) 1.111 12.059 ( 0.000 4.344 0.000) 4.344 12.266 ( 0.000 2.249 0.000) 2.249 12.508 ( 0.000 2.454 0.000) 2.454 12.754 ( 0.000 2.755 0.000) 2.755 12.760 ( 0.000 0.909 0.000) 0.909 12.845 ( 0.000 -4.760 0.000) 4.760 12.871 ( 0.000 -10.457 0.000) 10.457 12.972 ( 0.000 -2.102 0.000) 2.102 13.099 ( 0.000 -5.032 0.000) 5.032 14.134 ( 0.000 -1.231 0.000) 1.231 14.173 ( 0.000 5.562 0.000) 5.562 14.406 ( 0.000 -4.800 0.000) 4.800 14.814 ( 0.000 -5.919 0.000) 5.919 15.396 ( 0.000 6.163 0.000) 6.163 15.648 ( 0.000 4.797 0.000) 4.797 16.035 ( 0.000 -2.540 0.000) 2.540 16.076 ( 0.000 -5.264 0.000) 5.264 20.364 ( 0.000 0.158 0.000) 0.158 20.415 ( 0.000 -0.523 0.000) 0.523 20.610 ( 0.000 1.881 0.000) 1.881 20.885 ( 0.000 -2.807 0.000) 2.807 21.078 ( 0.000 1.144 0.000) 1.144 21.261 ( 0.000 -2.898 0.000) 2.898 21.334 ( 0.000 -11.060 0.000) 11.060 21.448 ( 0.000 -12.049 0.000) 12.049 21.780 ( 0.000 5.134 0.000) 5.134 21.916 ( 0.000 12.681 0.000) 12.681 22.054 ( 0.000 9.559 0.000) 9.559 22.142 ( 0.000 -1.564 0.000) 1.564 22.665 ( 0.000 1.139 0.000) 1.139 22.708 ( 0.000 -2.345 0.000) 2.345 22.737 ( 0.000 3.441 0.000) 3.441 22.854 ( 0.000 4.199 0.000) 4.199 22.928 ( 0.000 -0.153 0.000) 0.153 22.950 ( 0.000 0.284 0.000) 0.284 22.955 ( 0.000 0.347 0.000) 0.347 23.290 ( 0.000 -3.606 0.000) 3.606 23.335 ( 0.000 0.960 0.000) 0.960 23.596 ( 0.000 -3.008 0.000) 3.008 23.829 ( 0.000 1.201 0.000) 1.201 24.154 ( 0.000 -3.384 0.000) 3.384 25.290 ( 0.000 0.622 0.000) 0.622 25.355 ( 0.000 -0.369 0.000) 0.369 25.478 ( 0.000 1.061 0.000) 1.061 25.646 ( 0.000 -1.436 0.000) 1.436 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 17.661 19.310 0.000) 26.169 0.830 ( 16.100 25.274 0.000) 29.966 1.274 ( 20.331 32.177 0.000) 38.062 1.582 ( -22.970 0.480 0.000) 22.975 1.636 ( -11.697 13.114 0.000) 17.573 2.237 ( 1.135 3.445 0.000) 3.627 2.298 ( 13.226 7.368 0.000) 15.140 2.321 ( -0.068 5.039 0.000) 5.039 2.432 ( -0.049 -9.934 0.000) 9.934 2.552 ( -6.245 -0.427 0.000) 6.260 2.592 ( -2.811 3.265 0.000) 4.309 2.860 ( -12.503 4.834 0.000) 13.405 3.003 ( -2.158 -0.437 0.000) 2.202 3.205 ( -4.067 -14.386 0.000) 14.950 3.287 ( 0.911 -8.563 0.000) 8.611 3.446 ( -3.987 -4.694 0.000) 6.159 3.500 ( 5.087 -0.500 0.000) 5.111 3.562 ( -0.396 -2.215 0.000) 2.250 3.610 ( -0.791 -5.686 0.000) 5.741 3.615 ( 0.096 1.740 0.000) 1.742 3.883 ( 0.414 0.226 0.000) 0.472 3.887 ( 6.843 4.117 0.000) 7.986 4.015 ( 1.180 2.584 0.000) 2.841 4.091 ( 13.619 2.403 0.000) 13.829 4.202 ( -5.620 2.490 0.000) 6.147 4.271 ( 4.216 2.516 0.000) 4.910 4.338 ( -4.145 -7.396 0.000) 8.478 4.549 ( 6.444 -10.690 0.000) 12.482 4.752 ( 0.368 3.535 0.000) 3.554 4.813 ( -0.095 0.810 0.000) 0.816 4.903 ( -7.230 -7.597 0.000) 10.487 4.997 ( -3.652 -2.903 0.000) 4.665 5.153 ( 3.222 -2.112 0.000) 3.853 5.180 ( 1.045 0.484 0.000) 1.151 5.192 ( -0.406 -5.338 0.000) 5.353 5.251 ( -2.026 3.134 0.000) 3.732 5.334 ( 3.544 5.941 0.000) 6.918 5.337 ( 2.647 2.633 0.000) 3.734 5.523 ( -10.867 0.578 0.000) 10.882 5.525 ( -5.362 -0.015 0.000) 5.362 5.709 ( 3.956 -0.792 0.000) 4.034 5.874 ( 4.854 -0.693 0.000) 4.903 5.889 ( -6.172 -3.298 0.000) 6.998 6.110 ( 1.577 -3.099 0.000) 3.477 6.131 ( -8.801 1.480 0.000) 8.925 6.264 ( 1.111 -5.025 0.000) 5.147 6.313 ( -3.447 -6.355 0.000) 7.230 6.357 ( -0.863 -0.228 0.000) 0.893 6.407 ( 5.654 6.711 0.000) 8.775 6.543 ( 5.474 5.637 0.000) 7.857 6.622 ( -2.907 10.893 0.000) 11.275 6.736 ( -2.535 11.011 0.000) 11.299 7.033 ( 10.489 0.546 0.000) 10.503 7.059 ( 4.754 3.107 0.000) 5.679 7.206 ( 18.073 -3.582 0.000) 18.425 7.358 ( -8.844 0.851 0.000) 8.885 7.585 ( -12.682 3.130 0.000) 13.063 7.611 ( -1.535 -3.572 0.000) 3.888 7.731 ( 4.147 2.508 0.000) 4.847 7.897 ( -2.430 -1.396 0.000) 2.802 8.102 ( 2.425 -2.290 0.000) 3.335 8.197 ( -7.143 -5.201 0.000) 8.836 8.235 ( -11.001 -2.139 0.000) 11.207 8.330 ( -10.152 -3.549 0.000) 10.754 8.556 ( 5.298 -0.428 0.000) 5.315 8.614 ( 3.625 -2.325 0.000) 4.306 8.736 ( 3.586 -2.170 0.000) 4.191 8.778 ( 2.407 -3.708 0.000) 4.421 9.005 ( 10.978 -0.468 0.000) 10.988 9.171 ( 0.107 1.204 0.000) 1.208 9.232 ( 8.504 -4.265 0.000) 9.514 9.443 ( -5.261 -3.529 0.000) 6.335 9.452 ( 4.005 3.398 0.000) 5.252 9.636 ( -3.171 0.862 0.000) 3.286 9.780 ( 4.409 -5.786 0.000) 7.274 9.818 ( 5.937 -8.873 0.000) 10.677 10.763 ( 7.361 7.329 0.000) 10.387 10.909 ( 2.215 -5.809 0.000) 6.217 11.016 ( -0.177 0.606 0.000) 0.631 11.078 ( -3.598 2.131 0.000) 4.182 11.279 ( -5.552 -6.020 0.000) 8.189 11.283 ( -6.025 -2.674 0.000) 6.592 11.504 ( -1.505 1.214 0.000) 1.934 11.540 ( 1.367 11.826 0.000) 11.905 11.813 ( 4.666 6.285 0.000) 7.828 11.847 ( -2.577 7.032 0.000) 7.489 12.108 ( 3.581 1.429 0.000) 3.856 12.130 ( 8.719 -2.236 0.000) 9.001 12.235 ( -2.264 2.860 0.000) 3.647 12.451 ( -5.784 1.968 0.000) 6.110 12.746 ( -0.679 -0.076 0.000) 0.683 12.746 ( -0.510 1.130 0.000) 1.240 12.880 ( 2.039 -7.102 0.000) 7.389 12.887 ( 1.160 -9.129 0.000) 9.202 12.997 ( 2.358 -2.446 0.000) 3.398 13.084 ( -1.588 -4.627 0.000) 4.892 14.141 ( 0.730 -0.784 0.000) 1.071 14.171 ( -0.417 2.939 0.000) 2.968 14.456 ( 5.343 -4.583 0.000) 7.039 14.740 ( -7.276 -5.026 0.000) 8.843 15.447 ( 4.947 5.918 0.000) 7.713 15.621 ( -2.937 4.902 0.000) 5.714 16.032 ( -0.315 -2.638 0.000) 2.657 16.043 ( -1.862 -2.838 0.000) 3.394 20.448 ( 3.384 -0.273 0.000) 3.395 20.589 ( -2.402 1.416 0.000) 2.789 20.657 ( 17.967 -16.133 0.000) 24.147 20.869 ( -1.489 -3.296 0.000) 3.617 21.125 ( 5.938 -5.438 0.000) 8.052 21.277 ( 1.626 -3.438 0.000) 3.803 21.320 ( -1.517 -10.566 0.000) 10.674 21.412 ( -3.837 -12.432 0.000) 13.011 21.792 ( 1.355 5.271 0.000) 5.442 21.874 ( -3.010 9.332 0.000) 9.806 22.124 ( 5.114 9.062 0.000) 10.406 22.157 ( 1.523 -1.361 0.000) 2.042 22.631 ( -1.584 0.634 0.000) 1.706 22.717 ( -2.277 3.352 0.000) 4.053 22.746 ( 2.601 2.942 0.000) 3.927 22.840 ( 0.009 4.750 0.000) 4.750 22.910 ( -1.941 -0.160 0.000) 1.948 22.953 ( 0.122 0.495 0.000) 0.509 22.954 ( -0.039 0.444 0.000) 0.446 23.084 ( -18.540 15.057 0.000) 23.885 23.430 ( 8.854 0.052 0.000) 8.854 23.614 ( 2.107 -2.284 0.000) 3.107 23.760 ( -8.001 1.695 0.000) 8.178 23.838 ( -13.850 7.139 0.000) 15.582 25.372 ( 2.215 -0.368 0.000) 2.245 25.462 ( -1.750 0.892 0.000) 1.964 25.467 ( 9.002 -5.893 0.000) 10.759 25.629 ( -1.863 -1.807 0.000) 2.596 ======================= Grid point 7 (6/72) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -20.511 8.607 0.000) 22.244 1.141 ( 20.511 8.607 0.000) 22.244 1.176 ( -15.637 14.718 0.000) 21.474 1.176 ( 15.637 14.718 0.000) 21.474 1.903 ( -26.658 21.686 0.000) 34.365 1.903 ( 26.658 21.686 0.000) 34.365 2.426 ( -0.723 -8.443 0.000) 8.474 2.426 ( 0.723 -8.443 0.000) 8.474 2.505 ( -0.823 2.575 0.000) 2.703 2.505 ( 0.823 2.575 0.000) 2.703 2.563 ( -11.092 8.451 0.000) 13.945 2.563 ( 11.092 8.451 0.000) 13.945 3.107 ( -6.426 -11.114 0.000) 12.838 3.107 ( 6.426 -11.114 0.000) 12.838 3.348 ( -5.368 -5.899 0.000) 7.976 3.348 ( 5.368 -5.899 0.000) 7.976 3.571 ( -0.730 1.834 0.000) 1.974 3.571 ( 0.730 1.834 0.000) 1.974 3.597 ( -0.963 -6.473 0.000) 6.544 3.597 ( 0.963 -6.473 0.000) 6.544 3.901 ( -1.518 -0.664 0.000) 1.657 3.901 ( 1.518 -0.664 0.000) 1.657 4.092 ( -6.061 4.546 0.000) 7.576 4.092 ( 6.061 4.546 0.000) 7.576 4.266 ( -4.266 -3.364 0.000) 5.433 4.266 ( 4.266 -3.364 0.000) 5.433 4.470 ( -14.554 4.220 0.000) 15.153 4.470 ( 14.554 4.220 0.000) 15.153 4.764 ( -7.122 -6.090 0.000) 9.371 4.764 ( 7.122 -6.090 0.000) 9.371 4.913 ( -5.414 -1.741 0.000) 5.687 4.913 ( 5.414 -1.741 0.000) 5.687 5.190 ( -0.090 -2.325 0.000) 2.327 5.190 ( 0.090 -2.325 0.000) 2.327 5.205 ( -2.738 -0.967 0.000) 2.904 5.205 ( 2.738 -0.967 0.000) 2.904 5.392 ( -2.832 3.062 0.000) 4.171 5.392 ( 2.832 3.062 0.000) 4.171 5.425 ( -4.267 3.244 0.000) 5.360 5.425 ( 4.267 3.244 0.000) 5.360 5.788 ( -4.760 -1.916 0.000) 5.131 5.788 ( 4.760 -1.916 0.000) 5.131 5.986 ( -7.119 -1.209 0.000) 7.221 5.986 ( 7.119 -1.209 0.000) 7.221 6.182 ( -5.935 -3.744 0.000) 7.017 6.182 ( 5.935 -3.744 0.000) 7.017 6.327 ( -2.015 -5.974 0.000) 6.305 6.327 ( 2.015 -5.974 0.000) 6.305 6.530 ( -6.631 8.892 0.000) 11.093 6.530 ( 6.631 8.892 0.000) 11.093 6.656 ( -6.070 8.880 0.000) 10.757 6.656 ( 6.070 8.880 0.000) 10.757 7.169 ( -5.543 0.363 0.000) 5.555 7.169 ( 5.543 0.363 0.000) 5.555 7.316 ( -13.702 4.445 0.000) 14.405 7.316 ( 13.702 4.445 0.000) 14.405 7.500 ( -12.071 -2.835 0.000) 12.400 7.500 ( 12.071 -2.835 0.000) 12.400 7.825 ( -5.250 1.303 0.000) 5.409 7.825 ( 5.250 1.303 0.000) 5.409 8.109 ( -0.370 -4.141 0.000) 4.158 8.109 ( 0.370 -4.141 0.000) 4.158 8.179 ( -6.230 -3.161 0.000) 6.986 8.179 ( 6.230 -3.161 0.000) 6.986 8.628 ( -1.913 -1.056 0.000) 2.185 8.628 ( 1.913 -1.056 0.000) 2.185 8.790 ( -1.404 -2.958 0.000) 3.275 8.790 ( 1.404 -2.958 0.000) 3.275 9.157 ( -3.447 -2.454 0.000) 4.231 9.157 ( 3.447 -2.454 0.000) 4.231 9.323 ( -6.098 0.495 0.000) 6.118 9.323 ( 6.098 0.495 0.000) 6.118 9.555 ( -5.637 0.660 0.000) 5.675 9.555 ( 5.637 0.660 0.000) 5.675 9.850 ( -2.113 -8.616 0.000) 8.871 9.850 ( 2.113 -8.616 0.000) 8.871 10.923 ( -6.970 7.432 0.000) 10.189 10.923 ( 6.970 7.432 0.000) 10.189 10.986 ( -0.471 -3.468 0.000) 3.500 10.986 ( 0.471 -3.468 0.000) 3.500 11.236 ( -0.220 -9.264 0.000) 9.266 11.236 ( 0.220 -9.264 0.000) 9.266 11.509 ( -2.599 7.862 0.000) 8.281 11.509 ( 2.599 7.862 0.000) 8.281 11.843 ( -0.681 11.239 0.000) 11.259 11.843 ( 0.681 11.239 0.000) 11.259 12.166 ( -2.725 -0.769 0.000) 2.832 12.166 ( 2.725 -0.769 0.000) 2.832 12.315 ( -8.557 1.402 0.000) 8.671 12.315 ( 8.557 1.402 0.000) 8.671 12.741 ( -0.040 -0.243 0.000) 0.246 12.741 ( 0.040 -0.243 0.000) 0.246 12.899 ( -0.081 -8.101 0.000) 8.102 12.899 ( 0.081 -8.101 0.000) 8.102 13.044 ( -2.578 -3.545 0.000) 4.383 13.044 ( 2.578 -3.545 0.000) 4.383 14.157 ( -0.970 0.530 0.000) 1.106 14.157 ( 0.970 0.530 0.000) 1.106 14.587 ( -8.485 -4.364 0.000) 9.542 14.587 ( 8.485 -4.364 0.000) 9.542 15.545 ( -5.146 5.262 0.000) 7.360 15.545 ( 5.146 5.262 0.000) 7.360 16.028 ( -0.039 -2.710 0.000) 2.710 16.028 ( 0.039 -2.710 0.000) 2.710 20.524 ( -4.381 0.448 0.000) 4.404 20.524 ( 4.381 0.448 0.000) 4.404 20.830 ( -3.593 -6.979 0.000) 7.850 20.830 ( 3.593 -6.979 0.000) 7.850 21.264 ( -6.085 -14.486 0.000) 15.712 21.264 ( 6.085 -14.486 0.000) 15.712 21.324 ( -4.234 -7.169 0.000) 8.326 21.324 ( 4.234 -7.169 0.000) 8.326 21.826 ( -2.229 6.319 0.000) 6.701 21.826 ( 2.229 6.319 0.000) 6.701 22.178 ( -0.251 1.988 0.000) 2.004 22.178 ( 0.251 1.988 0.000) 2.004 22.653 ( -3.928 4.798 0.000) 6.201 22.653 ( 3.928 4.798 0.000) 6.201 22.818 ( -7.139 12.656 0.000) 14.530 22.818 ( 7.139 12.656 0.000) 14.530 22.873 ( -3.097 4.158 0.000) 5.185 22.873 ( 3.097 4.158 0.000) 5.185 22.954 ( -0.040 0.512 0.000) 0.514 22.954 ( 0.040 0.512 0.000) 0.514 23.602 ( -8.843 -0.597 0.000) 8.863 23.602 ( 8.843 -0.597 0.000) 8.863 23.682 ( -5.838 0.774 0.000) 5.890 23.682 ( 5.838 0.774 0.000) 5.890 25.419 ( -2.697 0.388 0.000) 2.725 25.419 ( 2.697 0.388 0.000) 2.725 25.577 ( -4.000 -3.275 0.000) 5.170 25.577 ( 4.000 -3.275 0.000) 5.170 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 27.188 0.000) 27.188 1.325 ( 0.000 31.908 0.000) 31.908 1.821 ( 0.000 32.183 0.000) 32.183 1.861 ( 0.000 -2.032 0.000) 2.032 1.967 ( 0.000 -3.695 0.000) 3.695 2.064 ( 0.000 14.599 0.000) 14.599 2.123 ( 0.000 -18.072 0.000) 18.072 2.437 ( 0.000 21.463 0.000) 21.463 2.446 ( 0.000 -13.336 0.000) 13.336 2.608 ( 0.000 4.955 0.000) 4.955 2.613 ( 0.000 -6.066 0.000) 6.066 2.818 ( 0.000 -0.215 0.000) 0.215 2.857 ( 0.000 -21.076 0.000) 21.076 3.154 ( 0.000 -0.347 0.000) 0.347 3.289 ( 0.000 -12.459 0.000) 12.459 3.380 ( 0.000 -4.137 0.000) 4.137 3.436 ( 0.000 7.159 0.000) 7.159 3.513 ( 0.000 -4.362 0.000) 4.362 3.614 ( 0.000 4.394 0.000) 4.394 3.714 ( 0.000 5.467 0.000) 5.467 3.883 ( 0.000 5.735 0.000) 5.735 3.895 ( 0.000 -0.544 0.000) 0.544 3.956 ( 0.000 -0.558 0.000) 0.558 4.115 ( 0.000 -15.604 0.000) 15.604 4.192 ( 0.000 15.813 0.000) 15.813 4.303 ( 0.000 1.202 0.000) 1.202 4.317 ( 0.000 -2.441 0.000) 2.441 4.321 ( 0.000 5.705 0.000) 5.705 4.701 ( 0.000 2.671 0.000) 2.671 4.737 ( 0.000 -12.842 0.000) 12.842 4.877 ( 0.000 -3.672 0.000) 3.672 4.906 ( 0.000 -12.378 0.000) 12.378 5.039 ( 0.000 -3.789 0.000) 3.789 5.049 ( 0.000 -6.679 0.000) 6.679 5.176 ( 0.000 1.034 0.000) 1.034 5.391 ( 0.000 4.499 0.000) 4.499 5.425 ( 0.000 8.604 0.000) 8.604 5.454 ( 0.000 -11.057 0.000) 11.057 5.494 ( 0.000 -1.439 0.000) 1.439 5.499 ( 0.000 11.176 0.000) 11.176 5.792 ( 0.000 5.107 0.000) 5.107 5.805 ( 0.000 -8.428 0.000) 8.428 5.813 ( 0.000 -0.068 0.000) 0.068 6.013 ( 0.000 -11.266 0.000) 11.266 6.050 ( 0.000 -0.804 0.000) 0.804 6.263 ( 0.000 -7.222 0.000) 7.222 6.375 ( 0.000 4.673 0.000) 4.673 6.455 ( 0.000 2.990 0.000) 2.990 6.558 ( 0.000 6.911 0.000) 6.911 6.566 ( 0.000 3.564 0.000) 3.564 6.758 ( 0.000 3.947 0.000) 3.947 6.862 ( 0.000 -0.624 0.000) 0.624 6.953 ( 0.000 8.944 0.000) 8.944 7.098 ( 0.000 5.898 0.000) 5.898 7.136 ( 0.000 8.259 0.000) 8.259 7.455 ( 0.000 1.014 0.000) 1.014 7.503 ( 0.000 -7.379 0.000) 7.379 7.749 ( 0.000 3.772 0.000) 3.772 7.799 ( 0.000 -9.188 0.000) 9.188 7.803 ( 0.000 4.127 0.000) 4.127 8.059 ( 0.000 0.505 0.000) 0.505 8.181 ( 0.000 -1.715 0.000) 1.715 8.300 ( 0.000 -5.624 0.000) 5.624 8.322 ( 0.000 -8.383 0.000) 8.383 8.502 ( 0.000 1.297 0.000) 1.297 8.573 ( 0.000 2.418 0.000) 2.418 8.628 ( 0.000 -5.835 0.000) 5.835 8.668 ( 0.000 -2.134 0.000) 2.134 8.959 ( 0.000 5.419 0.000) 5.419 9.071 ( 0.000 0.603 0.000) 0.603 9.229 ( 0.000 3.228 0.000) 3.228 9.391 ( 0.000 -4.939 0.000) 4.939 9.549 ( 0.000 5.897 0.000) 5.897 9.645 ( 0.000 -2.186 0.000) 2.186 9.671 ( 0.000 -0.941 0.000) 0.941 9.707 ( 0.000 -1.700 0.000) 1.700 10.818 ( 0.000 0.212 0.000) 0.212 10.870 ( 0.000 10.349 0.000) 10.349 10.999 ( 0.000 -6.643 0.000) 6.643 11.080 ( 0.000 4.472 0.000) 4.472 11.319 ( 0.000 -8.101 0.000) 8.101 11.351 ( 0.000 -5.640 0.000) 5.640 11.540 ( 0.000 8.220 0.000) 8.220 11.642 ( 0.000 3.363 0.000) 3.363 11.844 ( 0.000 5.600 0.000) 5.600 11.988 ( 0.000 7.711 0.000) 7.711 11.992 ( 0.000 -1.966 0.000) 1.966 12.219 ( 0.000 10.397 0.000) 10.397 12.348 ( 0.000 6.149 0.000) 6.149 12.527 ( 0.000 -1.204 0.000) 1.204 12.590 ( 0.000 -16.052 0.000) 16.052 12.706 ( 0.000 -8.676 0.000) 8.676 12.794 ( 0.000 2.480 0.000) 2.480 12.817 ( 0.000 2.911 0.000) 2.911 12.920 ( 0.000 -2.807 0.000) 2.807 12.978 ( 0.000 -6.214 0.000) 6.214 14.127 ( 0.000 0.873 0.000) 0.873 14.286 ( 0.000 -6.285 0.000) 6.285 14.318 ( 0.000 8.209 0.000) 8.209 14.667 ( 0.000 -8.155 0.000) 8.155 15.551 ( 0.000 8.764 0.000) 8.764 15.760 ( 0.000 5.738 0.000) 5.738 15.931 ( 0.000 -8.677 0.000) 8.677 15.965 ( 0.000 -4.149 0.000) 4.149 20.370 ( 0.000 0.447 0.000) 0.447 20.400 ( 0.000 -0.882 0.000) 0.882 20.660 ( 0.000 2.924 0.000) 2.924 20.807 ( 0.000 -4.359 0.000) 4.359 21.110 ( 0.000 1.864 0.000) 1.864 21.182 ( 0.000 -4.099 0.000) 4.099 21.201 ( 0.000 -2.732 0.000) 2.732 21.244 ( 0.000 -7.404 0.000) 7.404 21.898 ( 0.000 6.009 0.000) 6.009 22.093 ( 0.000 -3.231 0.000) 3.231 22.120 ( 0.000 7.272 0.000) 7.272 22.195 ( 0.000 3.954 0.000) 3.954 22.678 ( 0.000 -0.564 0.000) 0.564 22.683 ( 0.000 0.420 0.000) 0.420 22.825 ( 0.000 4.588 0.000) 4.588 22.920 ( 0.000 -0.718 0.000) 0.718 22.928 ( 0.000 2.778 0.000) 2.778 22.959 ( 0.000 0.470 0.000) 0.470 22.976 ( 0.000 2.176 0.000) 2.176 23.189 ( 0.000 -6.083 0.000) 6.083 23.369 ( 0.000 2.409 0.000) 2.409 23.517 ( 0.000 -4.333 0.000) 4.333 23.871 ( 0.000 3.128 0.000) 3.128 24.063 ( 0.000 -5.265 0.000) 5.265 25.307 ( 0.000 0.969 0.000) 0.969 25.344 ( 0.000 -0.723 0.000) 0.723 25.509 ( 0.000 1.984 0.000) 1.984 25.607 ( 0.000 -2.359 0.000) 2.359 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 6.912 24.783 0.000) 25.729 1.397 ( 7.517 28.896 0.000) 29.858 1.658 ( -14.137 7.318 0.000) 15.918 1.805 ( -8.225 20.839 0.000) 22.403 2.049 ( 6.992 12.682 0.000) 14.482 2.100 ( 6.511 -11.775 0.000) 13.455 2.168 ( 4.045 -5.105 0.000) 6.514 2.434 ( -0.932 -11.006 0.000) 11.045 2.506 ( 0.824 2.415 0.000) 2.551 2.544 ( -6.806 7.578 0.000) 10.186 2.614 ( 5.367 6.437 0.000) 8.381 2.828 ( 1.124 -4.099 0.000) 4.250 2.867 ( 0.392 -16.741 0.000) 16.746 3.130 ( -9.985 3.684 0.000) 10.643 3.217 ( -7.671 6.463 0.000) 10.031 3.278 ( -1.217 -11.267 0.000) 11.333 3.420 ( 2.490 -4.251 0.000) 4.927 3.553 ( -5.460 3.233 0.000) 6.345 3.557 ( 4.076 0.609 0.000) 4.122 3.710 ( -1.151 5.784 0.000) 5.897 3.869 ( -1.244 -2.170 0.000) 2.501 3.925 ( -0.755 0.024 0.000) 0.755 3.991 ( 4.631 -3.223 0.000) 5.642 4.143 ( 0.667 -12.057 0.000) 12.075 4.259 ( -1.763 2.680 0.000) 3.208 4.276 ( 2.626 10.510 0.000) 10.833 4.372 ( 9.850 9.346 0.000) 13.578 4.380 ( 5.154 -4.741 0.000) 7.003 4.681 ( -5.141 -12.118 0.000) 13.163 4.763 ( 5.264 0.036 0.000) 5.264 4.832 ( -5.281 -1.055 0.000) 5.385 4.898 ( -1.209 -8.808 0.000) 8.891 5.068 ( 2.731 -5.365 0.000) 6.020 5.082 ( 3.684 -4.450 0.000) 5.777 5.165 ( -1.338 -0.257 0.000) 1.362 5.328 ( -8.088 -0.790 0.000) 8.126 5.404 ( 1.200 3.834 0.000) 4.018 5.448 ( -1.220 0.303 0.000) 1.257 5.518 ( 2.333 -0.096 0.000) 2.335 5.524 ( 1.990 10.487 0.000) 10.674 5.748 ( -2.398 3.260 0.000) 4.047 5.780 ( -2.385 -6.694 0.000) 7.106 5.863 ( 3.611 -0.616 0.000) 3.663 6.029 ( -0.211 -10.949 0.000) 10.951 6.064 ( 1.876 -0.620 0.000) 1.975 6.241 ( -9.306 3.425 0.000) 9.917 6.242 ( -2.163 -7.058 0.000) 7.382 6.284 ( -10.047 0.371 0.000) 10.054 6.585 ( 4.491 6.587 0.000) 7.972 6.655 ( 7.416 3.969 0.000) 8.412 6.823 ( -3.758 8.703 0.000) 9.479 6.941 ( -0.548 6.630 0.000) 6.653 7.056 ( 11.137 2.146 0.000) 11.342 7.153 ( 13.078 -1.841 0.000) 13.207 7.163 ( 2.635 7.230 0.000) 7.695 7.405 ( -3.305 4.879 0.000) 5.893 7.503 ( -0.639 -6.994 0.000) 7.023 7.691 ( -10.337 6.979 0.000) 12.472 7.794 ( 2.581 3.210 0.000) 4.119 7.805 ( 0.698 -8.559 0.000) 8.587 8.044 ( 0.285 -2.869 0.000) 2.883 8.104 ( -7.267 -2.105 0.000) 7.566 8.154 ( -12.449 -5.885 0.000) 13.770 8.223 ( -7.962 -5.945 0.000) 9.937 8.561 ( 4.683 1.076 0.000) 4.805 8.602 ( 2.434 1.029 0.000) 2.643 8.685 ( 3.825 -4.778 0.000) 6.121 8.693 ( 2.224 -2.311 0.000) 3.208 9.042 ( 6.935 3.644 0.000) 7.833 9.175 ( 7.772 -2.122 0.000) 8.057 9.208 ( -2.122 2.439 0.000) 3.233 9.358 ( -3.258 -4.537 0.000) 5.586 9.556 ( 1.254 5.565 0.000) 5.704 9.640 ( -1.249 0.009 0.000) 1.249 9.697 ( 2.571 -2.337 0.000) 3.474 9.723 ( 1.323 -3.001 0.000) 3.279 10.850 ( 3.450 0.161 0.000) 3.454 10.936 ( 6.321 8.343 0.000) 10.467 11.016 ( 1.918 -6.169 0.000) 6.460 11.062 ( -2.056 5.157 0.000) 5.552 11.176 ( -7.709 -4.721 0.000) 9.040 11.381 ( -12.235 9.610 0.000) 15.558 11.452 ( 5.395 -6.902 0.000) 8.761 11.666 ( -2.222 -0.472 0.000) 2.272 11.922 ( 7.106 5.373 0.000) 8.909 12.012 ( 2.596 9.592 0.000) 9.937 12.075 ( 7.472 -2.621 0.000) 7.918 12.211 ( -0.945 8.145 0.000) 8.199 12.332 ( -1.441 6.567 0.000) 6.723 12.455 ( -6.182 -2.722 0.000) 6.755 12.621 ( 2.022 -11.833 0.000) 12.004 12.688 ( -1.683 -7.693 0.000) 7.875 12.799 ( 0.477 1.017 0.000) 1.123 12.812 ( -0.392 1.886 0.000) 1.926 12.932 ( 1.118 -3.607 0.000) 3.776 12.970 ( -0.781 -5.967 0.000) 6.018 14.150 ( 2.502 1.952 0.000) 3.173 14.283 ( -3.391 7.234 0.000) 7.990 14.339 ( 5.551 -6.346 0.000) 8.431 14.607 ( -6.093 -7.610 0.000) 9.749 15.590 ( 3.823 7.960 0.000) 8.831 15.736 ( -2.624 5.957 0.000) 6.510 15.931 ( 0.163 -7.473 0.000) 7.475 15.957 ( -0.818 -4.529 0.000) 4.603 20.441 ( 4.210 -0.324 0.000) 4.222 20.479 ( 10.199 -3.835 0.000) 10.896 20.627 ( -3.621 2.275 0.000) 4.276 20.775 ( -3.601 -5.242 0.000) 6.360 21.110 ( 0.230 1.303 0.000) 1.323 21.166 ( -1.796 -3.767 0.000) 4.173 21.206 ( 0.499 -3.193 0.000) 3.232 21.232 ( -0.966 -6.120 0.000) 6.196 21.915 ( 1.833 6.151 0.000) 6.418 22.047 ( -5.150 7.332 0.000) 8.960 22.111 ( 1.903 -3.176 0.000) 3.702 22.208 ( -1.042 0.234 0.000) 1.068 22.670 ( 2.264 2.778 0.000) 3.584 22.759 ( 4.903 -0.744 0.000) 4.959 22.801 ( -2.603 4.409 0.000) 5.120 22.901 ( -2.043 -0.808 0.000) 2.197 22.947 ( 2.425 3.525 0.000) 4.279 22.972 ( 1.088 1.429 0.000) 1.796 22.976 ( 0.030 2.064 0.000) 2.064 23.144 ( -4.658 -3.264 0.000) 5.688 23.444 ( 7.538 1.519 0.000) 7.689 23.555 ( 4.394 -3.223 0.000) 5.450 23.799 ( -7.682 2.505 0.000) 8.080 23.903 ( -13.579 -0.469 0.000) 13.588 25.366 ( 3.584 -0.024 0.000) 3.584 25.397 ( 6.425 -1.746 0.000) 6.658 25.489 ( -2.214 1.767 0.000) 2.832 25.583 ( -2.578 -2.552 0.000) 3.628 ======================= Grid point 12 (9/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -12.681 16.764 0.000) 21.019 1.395 ( 12.681 16.764 0.000) 21.019 1.592 ( -12.012 23.502 0.000) 26.394 1.592 ( 12.012 23.502 0.000) 26.394 2.149 ( -1.228 -15.087 0.000) 15.137 2.149 ( 1.228 -15.087 0.000) 15.137 2.346 ( -12.891 16.336 0.000) 20.810 2.346 ( 12.891 16.336 0.000) 20.810 2.457 ( -2.489 -10.733 0.000) 11.018 2.457 ( 2.489 -10.733 0.000) 11.018 2.825 ( -15.507 15.435 0.000) 21.879 2.825 ( 15.507 15.435 0.000) 21.879 2.855 ( -1.486 -10.540 0.000) 10.644 2.855 ( 1.486 -10.540 0.000) 10.644 3.240 ( -2.962 -5.837 0.000) 6.546 3.240 ( 2.962 -5.837 0.000) 6.546 3.465 ( -3.338 -1.211 0.000) 3.551 3.465 ( 3.338 -1.211 0.000) 3.551 3.651 ( -5.076 3.599 0.000) 6.222 3.651 ( 5.076 3.599 0.000) 6.222 3.883 ( -2.468 -1.484 0.000) 2.879 3.883 ( 2.468 -1.484 0.000) 2.879 4.088 ( -5.334 -5.872 0.000) 7.933 4.088 ( 5.334 -5.872 0.000) 7.933 4.268 ( -1.594 3.974 0.000) 4.282 4.268 ( 1.594 3.974 0.000) 4.282 4.487 ( -4.249 -4.588 0.000) 6.253 4.487 ( 4.249 -4.588 0.000) 6.253 4.681 ( -9.132 1.335 0.000) 9.229 4.681 ( 9.132 1.335 0.000) 9.229 4.853 ( -3.819 -4.056 0.000) 5.571 4.853 ( 3.819 -4.056 0.000) 5.571 5.126 ( -2.905 -3.085 0.000) 4.238 5.126 ( 2.905 -3.085 0.000) 4.238 5.180 ( -7.170 -2.808 0.000) 7.700 5.180 ( 7.170 -2.808 0.000) 7.700 5.426 ( -1.187 2.848 0.000) 3.086 5.426 ( 1.187 2.848 0.000) 3.086 5.547 ( -0.011 6.219 0.000) 6.219 5.547 ( 0.011 6.219 0.000) 6.219 5.737 ( -1.540 -2.118 0.000) 2.619 5.737 ( 1.540 -2.118 0.000) 2.619 5.949 ( -5.973 -3.627 0.000) 6.988 5.949 ( 5.973 -3.627 0.000) 6.988 6.133 ( -6.005 -0.934 0.000) 6.077 6.133 ( 6.005 -0.934 0.000) 6.077 6.197 ( -2.065 -5.229 0.000) 5.622 6.197 ( 2.065 -5.229 0.000) 5.622 6.703 ( -7.605 7.544 0.000) 10.712 6.703 ( 7.605 7.544 0.000) 10.712 6.814 ( -9.380 4.690 0.000) 10.487 6.814 ( 9.380 4.690 0.000) 10.487 7.201 ( -0.503 3.499 0.000) 3.535 7.201 ( 0.503 3.499 0.000) 3.535 7.419 ( -11.100 -3.714 0.000) 11.705 7.419 ( 11.100 -3.714 0.000) 11.705 7.459 ( -11.041 8.124 0.000) 13.708 7.459 ( 11.041 8.124 0.000) 13.708 7.829 ( -0.950 -2.961 0.000) 3.109 7.829 ( 0.950 -2.961 0.000) 3.109 8.001 ( -0.259 -4.111 0.000) 4.119 8.001 ( 0.259 -4.111 0.000) 4.119 8.096 ( -5.274 -4.651 0.000) 7.032 8.096 ( 5.274 -4.651 0.000) 7.032 8.620 ( -1.131 0.748 0.000) 1.356 8.620 ( 1.131 0.748 0.000) 1.356 8.722 ( -0.129 -3.354 0.000) 3.356 8.722 ( 0.129 -3.354 0.000) 3.356 9.151 ( -4.423 1.699 0.000) 4.738 9.151 ( 4.423 1.699 0.000) 4.738 9.285 ( -4.598 -3.443 0.000) 5.744 9.285 ( 4.598 -3.443 0.000) 5.744 9.599 ( -2.892 3.284 0.000) 4.376 9.599 ( 2.892 3.284 0.000) 4.376 9.733 ( -0.754 -3.634 0.000) 3.712 9.733 ( 0.754 -3.634 0.000) 3.712 10.937 ( -5.498 0.019 0.000) 5.498 10.937 ( 5.498 0.019 0.000) 5.498 11.068 ( -3.615 -4.116 0.000) 5.478 11.068 ( 3.615 -4.116 0.000) 5.478 11.155 ( -11.197 10.251 0.000) 15.180 11.155 ( 11.197 10.251 0.000) 15.180 11.568 ( -6.993 -3.495 0.000) 7.818 11.568 ( 6.993 -3.495 0.000) 7.818 12.028 ( -2.723 7.623 0.000) 8.095 12.028 ( 2.723 7.623 0.000) 8.095 12.185 ( -2.745 1.680 0.000) 3.218 12.185 ( 2.745 1.680 0.000) 3.218 12.342 ( -4.371 2.370 0.000) 4.973 12.342 ( 4.371 2.370 0.000) 4.973 12.655 ( -1.807 -8.738 0.000) 8.923 12.655 ( 1.807 -8.738 0.000) 8.923 12.806 ( -0.279 0.524 0.000) 0.594 12.806 ( 0.279 0.524 0.000) 0.594 12.953 ( -1.053 -5.072 0.000) 5.180 12.953 ( 1.053 -5.072 0.000) 5.180 14.212 ( -3.995 4.609 0.000) 6.099 14.212 ( 3.995 4.609 0.000) 6.099 14.470 ( -8.115 -6.747 0.000) 10.553 14.470 ( 8.115 -6.747 0.000) 10.553 15.670 ( -4.377 6.697 0.000) 8.000 15.670 ( 4.377 6.697 0.000) 8.000 15.940 ( -0.868 -5.665 0.000) 5.731 15.940 ( 0.868 -5.665 0.000) 5.731 20.537 ( -5.711 0.940 0.000) 5.787 20.537 ( 5.711 0.940 0.000) 5.787 20.665 ( -8.628 -6.926 0.000) 11.064 20.665 ( 8.628 -6.926 0.000) 11.064 21.128 ( -1.791 -1.117 0.000) 2.111 21.128 ( 1.791 -1.117 0.000) 2.111 21.217 ( -0.658 -4.319 0.000) 4.369 21.217 ( 0.658 -4.319 0.000) 4.369 21.965 ( -3.678 6.656 0.000) 7.604 21.965 ( 3.678 6.656 0.000) 7.604 22.160 ( -3.264 -2.645 0.000) 4.201 22.160 ( 3.264 -2.645 0.000) 4.201 22.737 ( -4.089 4.035 0.000) 5.745 22.737 ( 4.089 4.035 0.000) 5.745 22.845 ( -4.089 -0.990 0.000) 4.207 22.845 ( 4.089 -0.990 0.000) 4.207 22.975 ( -0.296 1.707 0.000) 1.733 22.975 ( 0.296 1.707 0.000) 1.733 23.038 ( -6.024 2.710 0.000) 6.606 23.038 ( 6.024 2.710 0.000) 6.606 23.615 ( -10.755 1.819 0.000) 10.908 23.615 ( 10.755 1.819 0.000) 10.908 23.686 ( -9.677 -0.603 0.000) 9.696 23.686 ( 9.677 -0.603 0.000) 9.696 25.433 ( -3.628 1.063 0.000) 3.780 25.433 ( 3.628 1.063 0.000) 3.780 25.512 ( -5.275 -2.871 0.000) 6.006 25.512 ( 5.275 -2.871 0.000) 6.006 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 -24.020 0.000) 24.020 1.672 ( 0.000 24.020 0.000) 24.020 1.838 ( 0.000 -5.157 0.000) 5.157 1.838 ( 0.000 5.157 0.000) 5.157 2.004 ( 0.000 -20.985 0.000) 20.985 2.004 ( 0.000 20.985 0.000) 20.985 2.324 ( 0.000 -11.279 0.000) 11.279 2.324 ( 0.000 11.279 0.000) 11.279 2.450 ( 0.000 -12.576 0.000) 12.576 2.450 ( 0.000 12.576 0.000) 12.576 2.750 ( 0.000 -6.281 0.000) 6.281 2.750 ( 0.000 6.281 0.000) 6.281 2.925 ( 0.000 -23.163 0.000) 23.163 2.925 ( 0.000 23.163 0.000) 23.163 3.244 ( 0.000 -7.397 0.000) 7.397 3.244 ( 0.000 7.397 0.000) 7.397 3.502 ( 0.000 -0.502 0.000) 0.502 3.502 ( 0.000 0.502 0.000) 0.502 3.768 ( 0.000 -6.097 0.000) 6.097 3.768 ( 0.000 6.097 0.000) 6.097 3.869 ( 0.000 -2.280 0.000) 2.280 3.869 ( 0.000 2.280 0.000) 2.280 3.942 ( 0.000 -1.255 0.000) 1.255 3.942 ( 0.000 1.255 0.000) 1.255 4.308 ( 0.000 -0.510 0.000) 0.510 4.308 ( 0.000 0.510 0.000) 0.510 4.481 ( 0.000 -8.874 0.000) 8.874 4.481 ( 0.000 8.874 0.000) 8.874 4.580 ( 0.000 -17.179 0.000) 17.179 4.580 ( 0.000 17.179 0.000) 17.179 4.777 ( 0.000 -4.939 0.000) 4.939 4.777 ( 0.000 4.939 0.000) 4.939 4.983 ( 0.000 -0.481 0.000) 0.481 4.983 ( 0.000 0.481 0.000) 0.481 5.258 ( 0.000 -7.218 0.000) 7.218 5.258 ( 0.000 7.218 0.000) 7.218 5.466 ( 0.000 -2.414 0.000) 2.414 5.466 ( 0.000 2.414 0.000) 2.414 5.595 ( 0.000 -6.951 0.000) 6.951 5.595 ( 0.000 6.951 0.000) 6.951 5.782 ( 0.000 -10.453 0.000) 10.453 5.782 ( 0.000 10.453 0.000) 10.453 5.827 ( 0.000 -0.849 0.000) 0.849 5.827 ( 0.000 0.849 0.000) 0.849 6.115 ( 0.000 -6.558 0.000) 6.558 6.115 ( 0.000 6.558 0.000) 6.558 6.455 ( 0.000 -2.551 0.000) 2.551 6.455 ( 0.000 2.551 0.000) 2.551 6.613 ( 0.000 -0.610 0.000) 0.610 6.613 ( 0.000 0.610 0.000) 0.610 6.825 ( 0.000 -2.695 0.000) 2.695 6.825 ( 0.000 2.695 0.000) 2.695 7.112 ( 0.000 -5.201 0.000) 5.201 7.112 ( 0.000 5.201 0.000) 5.201 7.326 ( 0.000 -9.685 0.000) 9.685 7.326 ( 0.000 9.685 0.000) 9.685 7.578 ( 0.000 -10.693 0.000) 10.693 7.578 ( 0.000 10.693 0.000) 10.693 7.820 ( 0.000 -2.415 0.000) 2.415 7.820 ( 0.000 2.415 0.000) 2.415 8.154 ( 0.000 -7.853 0.000) 7.853 8.154 ( 0.000 7.853 0.000) 7.853 8.200 ( 0.000 -3.482 0.000) 3.482 8.200 ( 0.000 3.482 0.000) 3.482 8.538 ( 0.000 -2.784 0.000) 2.784 8.538 ( 0.000 2.784 0.000) 2.784 8.621 ( 0.000 -2.399 0.000) 2.399 8.621 ( 0.000 2.399 0.000) 2.399 9.048 ( 0.000 -2.942 0.000) 2.942 9.048 ( 0.000 2.942 0.000) 2.942 9.300 ( 0.000 -3.938 0.000) 3.938 9.300 ( 0.000 3.938 0.000) 3.938 9.643 ( 0.000 -1.314 0.000) 1.314 9.643 ( 0.000 1.314 0.000) 1.314 9.651 ( 0.000 -3.961 0.000) 3.961 9.651 ( 0.000 3.961 0.000) 3.961 10.876 ( 0.000 -4.919 0.000) 4.919 10.876 ( 0.000 4.919 0.000) 4.919 11.081 ( 0.000 -8.770 0.000) 8.770 11.081 ( 0.000 8.770 0.000) 8.770 11.235 ( 0.000 -4.323 0.000) 4.323 11.235 ( 0.000 4.323 0.000) 4.323 11.648 ( 0.000 -2.338 0.000) 2.338 11.648 ( 0.000 2.338 0.000) 2.338 11.938 ( 0.000 -3.507 0.000) 3.507 11.938 ( 0.000 3.507 0.000) 3.507 12.229 ( 0.000 -14.510 0.000) 14.510 12.229 ( 0.000 14.510 0.000) 14.510 12.444 ( 0.000 -6.507 0.000) 6.507 12.444 ( 0.000 6.507 0.000) 6.507 12.513 ( 0.000 -9.592 0.000) 9.592 12.513 ( 0.000 9.592 0.000) 9.592 12.865 ( 0.000 -4.627 0.000) 4.627 12.865 ( 0.000 4.627 0.000) 4.627 12.867 ( 0.000 -2.302 0.000) 2.302 12.867 ( 0.000 2.302 0.000) 2.302 14.176 ( 0.000 -4.075 0.000) 4.075 14.176 ( 0.000 4.075 0.000) 4.075 14.493 ( 0.000 -8.796 0.000) 8.796 14.493 ( 0.000 8.796 0.000) 8.796 15.741 ( 0.000 -9.655 0.000) 9.655 15.741 ( 0.000 9.655 0.000) 9.655 15.871 ( 0.000 -5.089 0.000) 5.089 15.871 ( 0.000 5.089 0.000) 5.089 20.383 ( 0.000 -0.801 0.000) 0.801 20.383 ( 0.000 0.801 0.000) 0.801 20.725 ( 0.000 -3.533 0.000) 3.533 20.725 ( 0.000 3.533 0.000) 3.533 21.151 ( 0.000 -2.214 0.000) 2.214 21.151 ( 0.000 2.214 0.000) 2.214 21.155 ( 0.000 -1.413 0.000) 1.413 21.155 ( 0.000 1.413 0.000) 1.413 22.010 ( 0.000 -4.898 0.000) 4.898 22.010 ( 0.000 4.898 0.000) 4.898 22.214 ( 0.000 -1.968 0.000) 1.968 22.214 ( 0.000 1.968 0.000) 1.968 22.680 ( 0.000 -0.461 0.000) 0.461 22.680 ( 0.000 0.461 0.000) 0.461 22.894 ( 0.000 -2.034 0.000) 2.034 22.894 ( 0.000 2.034 0.000) 2.034 22.961 ( 0.000 -0.528 0.000) 0.528 22.961 ( 0.000 0.528 0.000) 0.528 23.060 ( 0.000 -5.942 0.000) 5.942 23.060 ( 0.000 5.942 0.000) 5.942 23.433 ( 0.000 -3.796 0.000) 3.796 23.433 ( 0.000 3.796 0.000) 3.796 23.955 ( 0.000 -4.978 0.000) 4.978 23.955 ( 0.000 4.978 0.000) 4.978 25.327 ( 0.000 -0.970 0.000) 0.970 25.327 ( 0.000 0.970 0.000) 0.970 25.556 ( 0.000 -2.510 0.000) 2.510 25.556 ( 0.000 2.510 0.000) 2.510 ======================= Grid point 17 (11/72) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 3.186 -23.103 0.000) 23.322 1.702 ( 3.186 23.103 0.000) 23.322 1.833 ( -1.280 -11.255 0.000) 11.327 1.833 ( -1.280 11.255 0.000) 11.327 2.006 ( 1.223 -24.584 0.000) 24.614 2.006 ( 1.223 24.584 0.000) 24.614 2.218 ( -8.171 -19.615 0.000) 21.249 2.218 ( -8.171 19.615 0.000) 21.249 2.532 ( 6.096 -17.449 0.000) 18.483 2.532 ( 6.096 17.449 0.000) 18.483 2.723 ( -3.050 -7.487 0.000) 8.085 2.723 ( -3.050 7.487 0.000) 8.085 2.977 ( 5.140 -18.692 0.000) 19.385 2.977 ( 5.140 18.692 0.000) 19.385 3.198 ( -4.717 -5.104 0.000) 6.950 3.198 ( -4.717 5.104 0.000) 6.950 3.525 ( 2.450 -6.513 0.000) 6.959 3.525 ( 2.450 6.513 0.000) 6.959 3.694 ( -5.819 -8.641 0.000) 10.418 3.694 ( -5.819 8.641 0.000) 10.418 3.911 ( 2.406 -8.852 0.000) 9.173 3.911 ( 2.406 8.852 0.000) 9.173 3.929 ( -0.613 -1.771 0.000) 1.874 3.929 ( -0.613 1.771 0.000) 1.874 4.317 ( 1.335 -2.818 0.000) 3.119 4.317 ( 1.335 2.818 0.000) 3.119 4.453 ( -3.699 -9.309 0.000) 10.017 4.453 ( -3.699 9.309 0.000) 10.017 4.649 ( 6.856 -14.432 0.000) 15.978 4.649 ( 6.856 14.432 0.000) 15.978 4.786 ( 0.320 -2.328 0.000) 2.350 4.786 ( 0.320 2.328 0.000) 2.350 5.018 ( 3.743 -0.825 0.000) 3.833 5.018 ( 3.743 0.825 0.000) 3.833 5.215 ( -4.401 -5.330 0.000) 6.912 5.215 ( -4.401 5.330 0.000) 6.912 5.483 ( 1.819 -3.430 0.000) 3.882 5.483 ( 1.819 3.430 0.000) 3.882 5.574 ( -2.039 -7.149 0.000) 7.434 5.574 ( -2.039 7.149 0.000) 7.434 5.802 ( 1.587 -10.496 0.000) 10.615 5.802 ( 1.587 10.496 0.000) 10.615 5.824 ( -0.221 -3.448 0.000) 3.455 5.824 ( -0.221 3.448 0.000) 3.455 6.110 ( -0.121 -5.061 0.000) 5.062 6.110 ( -0.121 5.061 0.000) 5.062 6.285 ( -11.596 -0.789 0.000) 11.623 6.285 ( -11.596 0.789 0.000) 11.623 6.672 ( 6.148 -2.034 0.000) 6.476 6.672 ( 6.148 2.034 0.000) 6.476 6.957 ( -0.416 -3.786 0.000) 3.809 6.957 ( -0.416 3.786 0.000) 3.809 7.114 ( 8.729 -2.431 0.000) 9.061 7.114 ( 8.729 2.431 0.000) 9.061 7.336 ( 0.652 -9.045 0.000) 9.069 7.336 ( 0.652 9.045 0.000) 9.069 7.582 ( 0.969 -11.605 0.000) 11.645 7.582 ( 0.969 11.605 0.000) 11.645 7.815 ( -2.424 -2.954 0.000) 3.821 7.815 ( -2.424 2.954 0.000) 3.821 8.035 ( -8.392 -3.654 0.000) 9.153 8.035 ( -8.392 3.654 0.000) 9.153 8.123 ( -6.850 -3.427 0.000) 7.659 8.123 ( -6.850 3.427 0.000) 7.659 8.603 ( 4.741 -3.123 0.000) 5.677 8.603 ( 4.741 3.123 0.000) 5.677 8.641 ( 1.870 -2.547 0.000) 3.160 8.641 ( 1.870 2.547 0.000) 3.160 9.120 ( 5.804 -3.457 0.000) 6.755 9.120 ( 5.804 3.457 0.000) 6.755 9.271 ( -2.815 -3.786 0.000) 4.718 9.271 ( -2.815 3.786 0.000) 4.718 9.655 ( 0.602 -4.021 0.000) 4.066 9.655 ( 0.602 4.021 0.000) 4.066 9.658 ( 1.191 -1.649 0.000) 2.035 9.658 ( 1.191 1.649 0.000) 2.035 10.902 ( 2.826 -4.511 0.000) 5.323 10.902 ( 2.826 4.511 0.000) 5.323 11.064 ( -3.284 -5.141 0.000) 6.100 11.064 ( -3.284 5.141 0.000) 6.100 11.257 ( 4.505 -10.968 0.000) 11.857 11.257 ( 4.505 10.968 0.000) 11.857 11.570 ( -7.830 -7.854 0.000) 11.091 11.570 ( -7.830 7.854 0.000) 11.091 12.016 ( 7.309 -3.587 0.000) 8.142 12.016 ( 7.309 3.587 0.000) 8.142 12.228 ( -1.239 -10.285 0.000) 10.360 12.228 ( -1.239 10.285 0.000) 10.360 12.442 ( 0.327 -6.455 0.000) 6.463 12.442 ( 0.327 6.455 0.000) 6.463 12.501 ( -1.342 -9.613 0.000) 9.706 12.501 ( -1.342 9.613 0.000) 9.706 12.861 ( -0.376 -4.469 0.000) 4.484 12.861 ( -0.376 4.469 0.000) 4.484 12.862 ( -0.434 -3.043 0.000) 3.074 12.862 ( -0.434 3.043 0.000) 3.074 14.221 ( 4.633 -4.896 0.000) 6.741 14.221 ( 4.633 4.896 0.000) 6.741 14.444 ( -5.029 -8.239 0.000) 9.653 14.444 ( -5.029 8.239 0.000) 9.653 15.762 ( 2.153 -8.721 0.000) 8.983 15.762 ( 2.153 8.721 0.000) 8.983 15.854 ( -1.827 -5.552 0.000) 5.845 15.854 ( -1.827 5.552 0.000) 5.845 20.441 ( 5.937 -0.565 0.000) 5.964 20.441 ( 5.937 0.565 0.000) 5.964 20.684 ( -4.482 -3.520 0.000) 5.699 20.684 ( -4.482 3.520 0.000) 5.699 21.150 ( -0.172 -2.415 0.000) 2.421 21.150 ( -0.172 2.415 0.000) 2.421 21.151 ( -0.324 -1.851 0.000) 1.879 21.151 ( -0.324 1.851 0.000) 1.879 22.029 ( 1.990 -4.901 0.000) 5.289 22.029 ( 1.990 4.901 0.000) 5.289 22.164 ( -4.447 -4.129 0.000) 6.068 22.164 ( -4.447 4.129 0.000) 6.068 22.726 ( 4.225 -2.401 0.000) 4.860 22.726 ( 4.225 2.401 0.000) 4.860 22.872 ( -2.454 -2.334 0.000) 3.387 22.872 ( -2.454 2.334 0.000) 3.387 22.984 ( 2.105 -0.707 0.000) 2.220 22.984 ( 2.105 0.707 0.000) 2.220 23.049 ( -1.120 -4.921 0.000) 5.046 23.049 ( -1.120 4.921 0.000) 5.046 23.491 ( 6.430 -2.940 0.000) 7.070 23.491 ( 6.430 2.940 0.000) 7.070 23.859 ( -9.528 -3.086 0.000) 10.015 23.859 ( -9.528 3.086 0.000) 10.015 25.374 ( 4.517 -0.739 0.000) 4.577 25.374 ( 4.517 0.739 0.000) 4.577 25.532 ( -2.623 -2.415 0.000) 3.565 25.532 ( -2.623 2.415 0.000) 3.565 ======================= Grid point 19 (12/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -4.348 -19.680 0.000) 20.154 1.776 ( 4.348 -19.680 0.000) 20.154 1.776 ( -4.348 19.680 0.000) 20.154 1.776 ( 4.348 19.680 0.000) 20.154 2.078 ( -6.426 -23.178 0.000) 24.053 2.078 ( 6.426 -23.178 0.000) 24.053 2.078 ( -6.426 23.178 0.000) 24.053 2.078 ( 6.426 23.178 0.000) 24.053 2.642 ( -5.586 -11.971 0.000) 13.210 2.642 ( 5.586 -11.971 0.000) 13.210 2.642 ( -5.586 11.971 0.000) 13.210 2.642 ( 5.586 11.971 0.000) 13.210 3.090 ( -6.600 -9.180 0.000) 11.307 3.090 ( 6.600 -9.180 0.000) 11.307 3.090 ( -6.600 9.180 0.000) 11.307 3.090 ( 6.600 9.180 0.000) 11.307 3.592 ( -4.874 -9.874 0.000) 11.011 3.592 ( 4.874 -9.874 0.000) 11.011 3.592 ( -4.874 9.874 0.000) 11.011 3.592 ( 4.874 9.874 0.000) 11.011 3.929 ( -0.165 -7.363 0.000) 7.365 3.929 ( 0.165 -7.363 0.000) 7.365 3.929 ( -0.165 7.363 0.000) 7.365 3.929 ( 0.165 7.363 0.000) 7.365 4.370 ( -4.395 -5.598 0.000) 7.117 4.370 ( 4.395 -5.598 0.000) 7.117 4.370 ( -4.395 5.598 0.000) 7.117 4.370 ( 4.395 5.598 0.000) 7.117 4.759 ( -3.882 -4.799 0.000) 6.173 4.759 ( 3.882 -4.799 0.000) 6.173 4.759 ( -3.882 4.799 0.000) 6.173 4.759 ( 3.882 4.799 0.000) 6.173 5.113 ( -6.137 -2.128 0.000) 6.495 5.113 ( -6.137 2.128 0.000) 6.495 5.113 ( 6.137 -2.128 0.000) 6.495 5.113 ( 6.137 2.128 0.000) 6.495 5.528 ( -2.807 -5.788 0.000) 6.433 5.528 ( 2.807 -5.788 0.000) 6.433 5.528 ( -2.807 5.788 0.000) 6.433 5.528 ( 2.807 5.788 0.000) 6.433 5.820 ( -0.345 -7.958 0.000) 7.965 5.820 ( 0.345 -7.958 0.000) 7.965 5.820 ( -0.345 7.958 0.000) 7.965 5.820 ( 0.345 7.958 0.000) 7.965 6.137 ( -4.144 -1.200 0.000) 4.314 6.137 ( -4.144 1.200 0.000) 4.314 6.137 ( 4.144 -1.200 0.000) 4.314 6.137 ( 4.144 1.200 0.000) 4.314 6.820 ( -9.365 -3.456 0.000) 9.982 6.820 ( -9.365 3.456 0.000) 9.982 6.820 ( 9.365 -3.456 0.000) 9.982 6.820 ( 9.365 3.456 0.000) 9.982 7.308 ( -5.899 -6.135 0.000) 8.511 7.308 ( 5.899 -6.135 0.000) 8.511 7.308 ( -5.899 6.135 0.000) 8.511 7.308 ( 5.899 6.135 0.000) 8.511 7.667 ( -9.586 -10.726 0.000) 14.386 7.667 ( 9.586 -10.726 0.000) 14.386 7.667 ( -9.586 10.726 0.000) 14.386 7.667 ( 9.586 10.726 0.000) 14.386 8.009 ( -4.353 -3.392 0.000) 5.519 8.009 ( 4.353 -3.392 0.000) 5.519 8.009 ( -4.353 3.392 0.000) 5.519 8.009 ( 4.353 3.392 0.000) 5.519 8.658 ( -0.822 -2.753 0.000) 2.873 8.658 ( 0.822 -2.753 0.000) 2.873 8.658 ( -0.822 2.753 0.000) 2.873 8.658 ( 0.822 2.753 0.000) 2.873 9.209 ( -3.908 -3.664 0.000) 5.357 9.209 ( 3.908 -3.664 0.000) 5.357 9.209 ( -3.908 3.664 0.000) 5.357 9.209 ( 3.908 3.664 0.000) 5.357 9.668 ( -0.318 -3.236 0.000) 3.252 9.668 ( 0.318 -3.236 0.000) 3.252 9.668 ( -0.318 3.236 0.000) 3.252 9.668 ( 0.318 3.236 0.000) 3.252 10.976 ( -5.096 -3.577 0.000) 6.226 10.976 ( 5.096 -3.577 0.000) 6.226 10.976 ( -5.096 3.577 0.000) 6.226 10.976 ( 5.096 3.577 0.000) 6.226 11.399 ( -9.744 -11.537 0.000) 15.101 11.399 ( 9.744 -11.537 0.000) 15.101 11.399 ( -9.744 11.537 0.000) 15.101 11.399 ( 9.744 11.537 0.000) 15.101 12.154 ( -6.638 -4.546 0.000) 8.046 12.154 ( 6.638 -4.546 0.000) 8.046 12.154 ( -6.638 4.546 0.000) 8.046 12.154 ( 6.638 4.546 0.000) 8.046 12.467 ( -2.081 -8.947 0.000) 9.186 12.467 ( 2.081 -8.947 0.000) 9.186 12.467 ( -2.081 8.947 0.000) 9.186 12.467 ( 2.081 8.947 0.000) 9.186 12.857 ( -0.040 -3.945 0.000) 3.945 12.857 ( 0.040 -3.945 0.000) 3.945 12.857 ( -0.040 3.945 0.000) 3.945 12.857 ( 0.040 3.945 0.000) 3.945 14.330 ( -6.753 -6.690 0.000) 9.506 14.330 ( 6.753 -6.690 0.000) 9.506 14.330 ( -6.753 6.690 0.000) 9.506 14.330 ( 6.753 6.690 0.000) 9.506 15.810 ( -2.784 -6.910 0.000) 7.449 15.810 ( 2.784 -6.910 0.000) 7.449 15.810 ( -2.784 6.910 0.000) 7.449 15.810 ( 2.784 6.910 0.000) 7.449 20.571 ( -7.388 -2.726 0.000) 7.875 20.571 ( -7.388 2.726 0.000) 7.875 20.571 ( 7.388 -2.726 0.000) 7.875 20.571 ( 7.388 2.726 0.000) 7.875 21.148 ( -0.020 -2.458 0.000) 2.458 21.148 ( 0.020 -2.458 0.000) 2.458 21.148 ( -0.020 2.458 0.000) 2.458 21.148 ( 0.020 2.458 0.000) 2.458 22.083 ( -3.944 -4.863 0.000) 6.262 22.083 ( 3.944 -4.863 0.000) 6.262 22.083 ( -3.944 4.863 0.000) 6.262 22.083 ( 3.944 4.863 0.000) 6.262 22.808 ( -4.284 -2.709 0.000) 5.069 22.808 ( 4.284 -2.709 0.000) 5.069 22.808 ( -4.284 2.709 0.000) 5.069 22.808 ( 4.284 2.709 0.000) 5.069 23.022 ( -1.829 -2.577 0.000) 3.160 23.022 ( 1.829 -2.577 0.000) 3.160 23.022 ( -1.829 2.577 0.000) 3.160 23.022 ( 1.829 2.577 0.000) 3.160 23.658 ( -11.138 -1.997 0.000) 11.316 23.658 ( -11.138 1.997 0.000) 11.316 23.658 ( 11.138 -1.997 0.000) 11.316 23.658 ( 11.138 1.997 0.000) 11.316 25.463 ( -4.684 -1.909 0.000) 5.058 25.463 ( -4.684 1.909 0.000) 5.058 25.463 ( 4.684 -1.909 0.000) 5.058 25.463 ( 4.684 1.909 0.000) 5.058 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 0.000 27.513) 27.513 0.687 ( 0.000 0.000 35.114) 35.114 0.936 ( 0.000 0.000 47.538) 47.538 1.827 ( 0.000 0.000 5.734) 5.734 1.996 ( 0.000 0.000 1.192) 1.192 2.060 ( 0.000 0.000 4.995) 4.995 2.136 ( 0.000 0.000 12.203) 12.203 2.417 ( 0.000 0.000 15.054) 15.054 2.506 ( 0.000 0.000 -4.472) 4.472 2.605 ( 0.000 0.000 4.495) 4.495 2.657 ( 0.000 0.000 -2.476) 2.476 2.865 ( 0.000 0.000 -1.933) 1.933 3.262 ( 0.000 0.000 -11.235) 11.235 3.268 ( 0.000 0.000 -8.088) 8.088 3.276 ( 0.000 0.000 9.433) 9.433 3.337 ( 0.000 0.000 -7.756) 7.756 3.503 ( 0.000 0.000 -5.540) 5.540 3.509 ( 0.000 0.000 -2.720) 2.720 3.625 ( 0.000 0.000 -0.936) 0.936 3.627 ( 0.000 0.000 -4.221) 4.221 3.742 ( 0.000 0.000 7.596) 7.596 3.894 ( 0.000 0.000 3.212) 3.212 3.922 ( 0.000 0.000 -6.050) 6.050 4.028 ( 0.000 0.000 0.496) 0.496 4.253 ( 0.000 0.000 4.284) 4.284 4.294 ( 0.000 0.000 3.069) 3.069 4.483 ( 0.000 0.000 -5.338) 5.338 4.594 ( 0.000 0.000 1.320) 1.320 4.617 ( 0.000 0.000 -0.738) 0.738 4.712 ( 0.000 0.000 -7.312) 7.312 4.784 ( 0.000 0.000 -18.936) 18.936 4.843 ( 0.000 0.000 -15.647) 15.647 5.095 ( 0.000 0.000 -4.151) 4.151 5.190 ( 0.000 0.000 -0.402) 0.402 5.275 ( 0.000 0.000 -0.560) 0.560 5.289 ( 0.000 0.000 0.242) 0.242 5.318 ( 0.000 0.000 5.859) 5.859 5.332 ( 0.000 0.000 -0.408) 0.408 5.435 ( 0.000 0.000 12.556) 12.556 5.722 ( 0.000 0.000 -6.240) 6.240 5.818 ( 0.000 0.000 5.567) 5.567 5.918 ( 0.000 0.000 6.865) 6.865 6.083 ( 0.000 0.000 -0.657) 0.657 6.131 ( 0.000 0.000 1.711) 1.711 6.185 ( 0.000 0.000 -7.051) 7.051 6.248 ( 0.000 0.000 7.048) 7.048 6.311 ( 0.000 0.000 -0.521) 0.521 6.324 ( 0.000 0.000 -5.738) 5.738 6.418 ( 0.000 0.000 -5.713) 5.713 6.497 ( 0.000 0.000 0.540) 0.540 6.664 ( 0.000 0.000 8.055) 8.055 6.786 ( 0.000 0.000 1.911) 1.911 6.845 ( 0.000 0.000 -7.195) 7.195 6.976 ( 0.000 0.000 -1.196) 1.196 7.118 ( 0.000 0.000 11.555) 11.555 7.439 ( 0.000 0.000 -1.354) 1.354 7.660 ( 0.000 0.000 0.721) 0.721 7.685 ( 0.000 0.000 -0.439) 0.439 7.894 ( 0.000 0.000 -3.942) 3.942 7.974 ( 0.000 0.000 2.364) 2.364 8.115 ( 0.000 0.000 1.745) 1.745 8.394 ( 0.000 0.000 4.160) 4.160 8.428 ( 0.000 0.000 -4.628) 4.628 8.474 ( 0.000 0.000 1.209) 1.209 8.477 ( 0.000 0.000 0.809) 0.809 8.603 ( 0.000 0.000 -2.344) 2.344 8.743 ( 0.000 0.000 2.549) 2.549 8.777 ( 0.000 0.000 -2.387) 2.387 8.863 ( 0.000 0.000 0.587) 0.587 8.993 ( 0.000 0.000 -0.660) 0.660 9.136 ( 0.000 0.000 -0.870) 0.870 9.370 ( 0.000 0.000 0.246) 0.246 9.414 ( 0.000 0.000 -13.224) 13.224 9.634 ( 0.000 0.000 -8.535) 8.535 9.790 ( 0.000 0.000 -1.695) 1.695 9.799 ( 0.000 0.000 -2.335) 2.335 10.679 ( 0.000 0.000 8.316) 8.316 10.985 ( 0.000 0.000 0.526) 0.526 11.058 ( 0.000 0.000 1.588) 1.588 11.132 ( 0.000 0.000 4.050) 4.050 11.337 ( 0.000 0.000 2.207) 2.207 11.398 ( 0.000 0.000 1.630) 1.630 11.492 ( 0.000 0.000 -0.308) 0.308 11.498 ( 0.000 0.000 2.149) 2.149 11.556 ( 0.000 0.000 -0.747) 0.747 11.758 ( 0.000 0.000 6.273) 6.273 11.836 ( 0.000 0.000 -3.419) 3.419 12.025 ( 0.000 0.000 0.227) 0.227 12.042 ( 0.000 0.000 0.875) 0.875 12.248 ( 0.000 0.000 0.244) 0.244 12.479 ( 0.000 0.000 0.933) 0.933 12.764 ( 0.000 0.000 3.969) 3.969 12.794 ( 0.000 0.000 4.179) 4.179 12.938 ( 0.000 0.000 -18.260) 18.260 12.962 ( 0.000 0.000 -1.312) 1.312 13.010 ( 0.000 0.000 0.677) 0.677 14.281 ( 0.000 0.000 11.303) 11.303 14.420 ( 0.000 0.000 -3.681) 3.681 14.879 ( 0.000 0.000 -0.223) 0.223 14.946 ( 0.000 0.000 -2.718) 2.718 15.243 ( 0.000 0.000 -5.714) 5.714 15.279 ( 0.000 0.000 -4.824) 4.824 15.575 ( 0.000 0.000 -2.070) 2.070 15.853 ( 0.000 0.000 -20.157) 20.157 20.341 ( 0.000 0.000 -1.485) 1.485 20.423 ( 0.000 0.000 0.192) 0.192 20.597 ( 0.000 0.000 -0.430) 0.430 21.097 ( 0.000 0.000 3.481) 3.481 21.155 ( 0.000 0.000 -11.633) 11.633 21.448 ( 0.000 0.000 2.804) 2.804 21.651 ( 0.000 0.000 0.868) 0.868 21.655 ( 0.000 0.000 1.211) 1.211 21.671 ( 0.000 0.000 1.309) 1.309 21.832 ( 0.000 0.000 -4.258) 4.258 21.889 ( 0.000 0.000 -0.042) 0.042 22.135 ( 0.000 0.000 0.375) 0.375 22.148 ( 0.000 0.000 -0.976) 0.976 22.600 ( 0.000 0.000 -6.305) 6.305 22.738 ( 0.000 0.000 -3.087) 3.087 22.751 ( 0.000 0.000 -2.312) 2.312 22.823 ( 0.000 0.000 6.233) 6.233 22.977 ( 0.000 0.000 4.372) 4.372 23.128 ( 0.000 0.000 14.923) 14.923 23.316 ( 0.000 0.000 -1.019) 1.019 23.379 ( 0.000 0.000 5.248) 5.248 23.671 ( 0.000 0.000 4.301) 4.301 23.775 ( 0.000 0.000 -4.312) 4.312 24.673 ( 0.000 0.000 -3.199) 3.199 25.290 ( 0.000 0.000 0.750) 0.750 25.352 ( 0.000 0.000 -0.682) 0.682 25.460 ( 0.000 0.000 -0.715) 0.715 25.651 ( 0.000 0.000 -1.741) 1.741 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 17.529 0.000 18.430) 25.435 0.872 ( 17.878 0.000 25.855) 31.434 1.223 ( 20.364 0.000 32.430) 38.294 1.604 ( -13.184 0.000 10.147) 16.637 1.669 ( -21.570 0.000 7.331) 22.782 2.279 ( 9.828 0.000 -0.472) 9.839 2.292 ( -14.738 0.000 16.653) 22.239 2.339 ( 14.773 0.000 11.023) 18.432 2.462 ( -3.816 0.000 -4.334) 5.775 2.583 ( -1.082 0.000 3.768) 3.920 2.632 ( -1.738 0.000 2.536) 3.075 2.912 ( -20.874 0.000 10.897) 23.547 2.976 ( 9.061 0.000 -6.020) 10.879 3.250 ( -3.772 0.000 -11.316) 11.928 3.309 ( 0.496 0.000 -7.220) 7.237 3.365 ( 2.376 0.000 -7.777) 8.132 3.463 ( -4.439 0.000 -3.761) 5.818 3.467 ( -3.034 0.000 -6.691) 7.347 3.656 ( 3.326 0.000 -2.281) 4.033 3.673 ( 2.823 0.000 -0.678) 2.903 3.901 ( 8.842 0.000 4.066) 9.732 3.904 ( 1.088 0.000 2.624) 2.841 3.995 ( -3.095 0.000 1.342) 3.373 4.039 ( 11.252 0.000 -4.715) 12.200 4.230 ( -3.321 0.000 3.577) 4.881 4.281 ( 2.731 0.000 3.267) 4.258 4.458 ( -7.208 0.000 1.321) 7.328 4.579 ( -2.923 0.000 -8.578) 9.062 4.654 ( 1.811 0.000 -6.331) 6.585 4.762 ( -1.343 0.000 -14.969) 15.029 4.766 ( 8.753 0.000 -0.548) 8.771 4.908 ( 5.537 0.000 -15.650) 16.601 5.043 ( -5.252 0.000 -2.805) 5.954 5.152 ( -5.300 0.000 -6.222) 8.173 5.249 ( -0.959 0.000 5.309) 5.395 5.289 ( 1.227 0.000 -1.349) 1.824 5.307 ( -1.541 0.000 2.175) 2.666 5.327 ( -0.519 0.000 -0.836) 0.984 5.484 ( 4.172 0.000 11.806) 12.522 5.654 ( -5.395 0.000 2.793) 6.075 5.761 ( -3.660 0.000 2.869) 4.650 5.885 ( -5.982 0.000 -0.486) 6.002 6.020 ( 1.236 0.000 6.339) 6.459 6.158 ( 2.845 0.000 0.309) 2.862 6.188 ( -4.098 0.000 4.727) 6.256 6.238 ( 2.200 0.000 -2.587) 3.396 6.288 ( -3.055 0.000 -5.802) 6.557 6.343 ( 1.879 0.000 2.161) 2.864 6.469 ( -1.562 0.000 2.600) 3.033 6.472 ( 4.719 0.000 -2.466) 5.324 6.575 ( -5.131 0.000 4.347) 6.725 6.636 ( -2.866 0.000 6.299) 6.920 7.045 ( 10.009 0.000 1.259) 10.088 7.150 ( 3.382 0.000 10.192) 10.739 7.187 ( 18.806 0.000 -6.474) 19.889 7.368 ( -6.876 0.000 1.623) 7.065 7.566 ( -11.531 0.000 0.359) 11.536 7.691 ( 3.621 0.000 -0.754) 3.698 7.736 ( -11.512 0.000 6.485) 13.213 7.866 ( -3.201 0.000 -3.485) 4.732 8.134 ( 2.204 0.000 0.993) 2.417 8.229 ( -11.552 0.000 -0.825) 11.581 8.268 ( -10.542 0.000 1.155) 10.605 8.332 ( -7.772 0.000 -2.915) 8.301 8.602 ( 7.629 0.000 3.515) 8.400 8.656 ( 2.421 0.000 -1.364) 2.778 8.744 ( 5.016 0.000 -0.003) 5.016 8.826 ( -1.136 0.000 0.039) 1.137 9.005 ( 12.339 0.000 -2.169) 12.529 9.144 ( 3.195 0.000 -1.600) 3.573 9.266 ( 0.549 0.000 -1.612) 1.703 9.371 ( -4.930 0.000 -11.081) 12.128 9.394 ( 7.072 0.000 -4.043) 8.146 9.602 ( -3.391 0.000 -2.930) 4.482 9.818 ( 4.639 0.000 -4.262) 6.300 9.930 ( 3.579 0.000 -11.882) 12.410 10.731 ( 5.437 0.000 5.979) 8.081 10.974 ( -4.056 0.000 0.355) 4.072 11.034 ( 1.137 0.000 2.665) 2.897 11.134 ( -0.856 0.000 3.267) 3.377 11.327 ( 1.206 0.000 4.205) 4.375 11.422 ( 0.671 0.000 1.912) 2.027 11.481 ( -1.394 0.000 3.052) 3.355 11.568 ( 1.450 0.000 -0.474) 1.525 11.568 ( -4.176 0.000 2.640) 4.940 11.736 ( -7.608 0.000 -1.503) 7.755 12.099 ( 5.353 0.000 -0.471) 5.374 12.137 ( 10.519 0.000 -1.798) 10.672 12.201 ( 31.759 0.000 -29.655) 43.451 12.232 ( -1.799 0.000 0.138) 1.804 12.447 ( -1.797 0.000 -0.557) 1.881 12.769 ( 0.462 0.000 3.959) 3.986 12.790 ( -0.467 0.000 4.082) 4.109 12.884 ( -6.205 0.000 -20.637) 21.550 12.974 ( 1.156 0.000 -1.029) 1.547 13.008 ( -0.342 0.000 0.361) 0.498 14.306 ( 2.837 0.000 12.130) 12.457 14.469 ( 5.270 0.000 -3.555) 6.357 14.598 ( -16.970 0.000 16.075) 23.375 14.776 ( -9.093 0.000 -1.735) 9.257 15.327 ( 7.134 0.000 -4.217) 8.288 15.544 ( -3.372 0.000 -2.271) 4.066 15.624 ( 15.600 0.000 -24.436) 28.992 15.841 ( -1.368 0.000 -20.573) 20.619 20.437 ( 2.654 0.000 -1.705) 3.155 20.463 ( 3.598 0.000 -5.800) 6.825 20.696 ( 10.956 0.000 -5.313) 12.176 21.039 ( -6.091 0.000 -0.929) 6.161 21.191 ( 3.479 0.000 -8.315) 9.013 21.358 ( -6.123 0.000 2.111) 6.477 21.657 ( 0.184 0.000 1.221) 1.235 21.668 ( -0.305 0.000 1.290) 1.325 21.721 ( 5.261 0.000 -2.212) 5.707 21.847 ( 0.335 0.000 -3.749) 3.764 21.903 ( 1.587 0.000 -0.064) 1.588 22.026 ( -5.282 0.000 -0.160) 5.285 22.293 ( 9.089 0.000 -0.605) 9.109 22.599 ( 0.293 0.000 -5.008) 5.016 22.646 ( -8.605 0.000 -2.223) 8.888 22.691 ( -4.347 0.000 -0.538) 4.380 22.865 ( 2.996 0.000 4.350) 5.282 22.960 ( -1.771 0.000 4.251) 4.605 23.150 ( 2.340 0.000 15.960) 16.131 23.318 ( -5.811 0.000 11.929) 13.269 23.412 ( 8.834 0.000 -1.967) 9.051 23.698 ( 3.128 0.000 5.916) 6.692 23.723 ( -5.492 0.000 -4.031) 6.812 24.122 ( -29.009 0.000 24.076) 37.698 25.368 ( 1.744 0.000 -0.787) 1.914 25.441 ( -0.763 0.000 -1.662) 1.829 25.490 ( 7.258 0.000 -5.272) 8.971 25.632 ( -1.932 0.000 -1.891) 2.703 ======================= Grid point 37 (15/72) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -22.443 0.000 9.871) 24.517 1.083 ( 22.443 0.000 9.871) 24.517 1.257 ( -22.803 0.000 14.490) 27.018 1.257 ( 22.803 0.000 14.490) 27.018 1.876 ( -28.063 0.000 23.211) 36.419 1.876 ( 28.063 0.000 23.211) 36.419 2.395 ( -3.820 0.000 -3.477) 5.166 2.395 ( 3.820 0.000 -3.477) 5.166 2.595 ( -2.073 0.000 4.611) 5.055 2.595 ( 2.073 0.000 4.611) 5.055 2.601 ( -14.312 0.000 11.997) 18.675 2.601 ( 14.312 0.000 11.997) 18.675 3.134 ( -7.796 0.000 -9.740) 12.475 3.134 ( 7.796 0.000 -9.740) 12.475 3.371 ( -4.995 0.000 -5.849) 7.692 3.371 ( 4.995 0.000 -5.849) 7.692 3.412 ( -2.894 0.000 -8.740) 9.207 3.412 ( 2.894 0.000 -8.740) 9.207 3.699 ( -0.547 0.000 -0.402) 0.678 3.699 ( 0.547 0.000 -0.402) 0.678 3.938 ( -2.711 0.000 1.886) 3.302 3.938 ( 2.711 0.000 1.886) 3.302 4.039 ( -6.991 0.000 -0.125) 6.992 4.039 ( 6.991 0.000 -0.125) 6.992 4.348 ( -4.768 0.000 2.174) 5.240 4.348 ( 4.768 0.000 2.174) 5.240 4.382 ( -13.926 0.000 -2.106) 14.085 4.382 ( 13.926 0.000 -2.106) 14.085 4.729 ( -2.843 0.000 -9.750) 10.156 4.729 ( 2.843 0.000 -9.750) 10.156 4.920 ( -7.837 0.000 -1.335) 7.950 4.920 ( 7.837 0.000 -1.335) 7.950 5.026 ( -7.203 0.000 -11.498) 13.568 5.026 ( 7.203 0.000 -11.498) 13.568 5.269 ( -2.253 0.000 2.432) 3.315 5.269 ( 2.253 0.000 2.432) 3.315 5.312 ( -1.137 0.000 -1.516) 1.895 5.312 ( 1.137 0.000 -1.516) 1.895 5.565 ( -4.500 0.000 10.377) 11.310 5.565 ( 4.500 0.000 10.377) 11.310 5.767 ( -4.513 0.000 -2.175) 5.010 5.767 ( 4.513 0.000 -2.175) 5.010 6.095 ( -5.353 0.000 7.107) 8.898 6.095 ( 5.353 0.000 7.107) 8.898 6.223 ( -3.872 0.000 -3.000) 4.899 6.223 ( 3.872 0.000 -3.000) 4.899 6.309 ( -4.360 0.000 -1.420) 4.585 6.309 ( 4.360 0.000 -1.420) 4.585 6.501 ( -3.788 0.000 2.389) 4.478 6.501 ( 3.788 0.000 2.389) 4.478 6.564 ( -4.873 0.000 2.173) 5.336 6.564 ( 4.873 0.000 2.173) 5.336 7.238 ( -6.269 0.000 6.428) 8.979 7.238 ( 6.269 0.000 6.428) 8.979 7.296 ( -15.606 0.000 2.257) 15.768 7.296 ( 15.606 0.000 2.257) 15.768 7.518 ( -15.062 0.000 -1.662) 15.153 7.518 ( 15.062 0.000 -1.662) 15.153 7.781 ( -5.571 0.000 -2.358) 6.049 7.781 ( 5.571 0.000 -2.358) 6.049 8.133 ( -2.161 0.000 -0.659) 2.260 8.133 ( 2.161 0.000 -0.659) 2.260 8.204 ( -5.593 0.000 -0.831) 5.655 8.204 ( 5.593 0.000 -0.831) 5.655 8.682 ( -0.510 0.000 2.114) 2.175 8.682 ( 0.510 0.000 2.114) 2.175 8.801 ( -1.907 0.000 -0.790) 2.064 8.801 ( 1.907 0.000 -0.790) 2.064 9.211 ( -3.996 0.000 0.404) 4.016 9.211 ( 3.996 0.000 0.404) 4.016 9.227 ( -10.673 0.000 -6.550) 12.523 9.227 ( 10.673 0.000 -6.550) 12.523 9.517 ( -5.746 0.000 -3.729) 6.850 9.517 ( 5.746 0.000 -3.729) 6.850 9.909 ( -4.251 0.000 -7.311) 8.457 9.909 ( 4.251 0.000 -7.311) 8.457 10.857 ( -7.482 0.000 2.191) 7.796 10.857 ( 7.482 0.000 2.191) 7.796 11.090 ( -3.581 0.000 2.779) 4.533 11.090 ( 3.581 0.000 2.779) 4.533 11.378 ( -4.010 0.000 3.572) 5.371 11.378 ( 4.010 0.000 3.572) 5.371 11.498 ( -2.856 0.000 3.126) 4.235 11.498 ( 2.856 0.000 3.126) 4.235 11.620 ( -4.576 0.000 -0.218) 4.581 11.620 ( 4.576 0.000 -0.218) 4.581 12.183 ( -3.623 0.000 -0.195) 3.628 12.183 ( 3.623 0.000 -0.195) 3.628 12.296 ( -7.536 0.000 -0.069) 7.537 12.296 ( 7.536 0.000 -0.069) 7.537 12.694 ( -15.502 0.000 -27.626) 31.678 12.694 ( 15.502 0.000 -27.626) 31.678 12.779 ( -0.635 0.000 3.975) 4.025 12.779 ( 0.635 0.000 3.975) 4.025 12.996 ( -0.996 0.000 -0.354) 1.057 12.996 ( 0.996 0.000 -0.354) 1.057 14.392 ( -7.064 0.000 14.760) 16.363 14.392 ( 7.064 0.000 14.760) 16.363 14.603 ( -8.962 0.000 -3.013) 9.455 14.603 ( 8.962 0.000 -3.013) 9.455 15.455 ( -6.218 0.000 -2.921) 6.869 15.455 ( 6.218 0.000 -2.921) 6.869 15.791 ( -4.737 0.000 -22.447) 22.942 15.791 ( 4.737 0.000 -22.447) 22.942 20.475 ( -1.298 0.000 -2.843) 3.126 20.475 ( 1.298 0.000 -2.843) 3.126 20.892 ( -9.485 0.000 -4.467) 10.484 20.892 ( 9.485 0.000 -4.467) 10.484 21.266 ( -4.415 0.000 -4.124) 6.042 21.266 ( 4.415 0.000 -4.124) 6.042 21.662 ( -0.345 0.000 1.250) 1.297 21.662 ( 0.345 0.000 1.250) 1.297 21.812 ( -4.091 0.000 -3.311) 5.262 21.812 ( 4.091 0.000 -3.311) 5.262 21.948 ( -3.320 0.000 -0.113) 3.322 21.948 ( 3.320 0.000 -0.113) 3.322 22.469 ( -10.038 0.000 -1.189) 10.108 22.469 ( 10.038 0.000 -1.189) 10.108 22.625 ( -2.643 0.000 -2.322) 3.518 22.625 ( 2.643 0.000 -2.322) 3.518 22.918 ( -2.669 0.000 4.128) 4.916 22.918 ( 2.669 0.000 4.128) 4.916 23.214 ( -4.737 0.000 17.148) 17.791 23.214 ( 4.737 0.000 17.148) 17.791 23.585 ( -9.192 0.000 -3.218) 9.740 23.585 ( 9.192 0.000 -3.218) 9.740 23.803 ( -9.399 0.000 12.669) 15.775 23.803 ( 9.399 0.000 12.669) 15.775 25.407 ( -2.257 0.000 -0.878) 2.421 25.407 ( 2.257 0.000 -0.878) 2.421 25.583 ( -3.549 0.000 -3.072) 4.694 25.583 ( 3.549 0.000 -3.072) 4.694 ======================= Grid point 40 (16/72) ======================= q-point: ( 0.00 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 17.995 16.506) 24.419 0.771 ( 0.000 19.450 17.133) 25.920 1.430 ( 0.000 31.413 32.517) 45.213 1.891 ( 0.000 6.419 4.937) 8.098 2.002 ( 0.000 -4.492 6.319) 7.753 2.014 ( 0.000 0.907 1.178) 1.487 2.230 ( 0.000 9.590 11.331) 14.845 2.473 ( 0.000 -12.358 3.382) 12.813 2.478 ( 0.000 5.290 5.285) 7.478 2.560 ( 0.000 0.823 -0.436) 0.931 2.662 ( 0.000 1.115 -0.956) 1.469 2.819 ( 0.000 -1.583 -0.854) 1.799 3.177 ( 0.000 -6.581 -8.156) 10.480 3.183 ( 0.000 -13.739 -5.147) 14.672 3.313 ( 0.000 3.769 4.506) 5.875 3.363 ( 0.000 5.523 -6.888) 8.829 3.482 ( 0.000 -3.949 -1.356) 4.175 3.551 ( 0.000 1.893 -2.076) 2.809 3.557 ( 0.000 -3.092 -6.274) 6.995 3.598 ( 0.000 -0.921 0.630) 1.116 3.789 ( 0.000 5.742 6.818) 8.914 3.874 ( 0.000 -0.659 -1.881) 1.993 3.957 ( 0.000 2.518 0.335) 2.540 4.057 ( 0.000 3.162 2.362) 3.947 4.261 ( 0.000 0.973 2.587) 2.764 4.295 ( 0.000 -0.026 1.354) 1.354 4.413 ( 0.000 -13.488 -1.501) 13.572 4.435 ( 0.000 -3.516 0.372) 3.535 4.628 ( 0.000 2.229 -1.506) 2.690 4.813 ( 0.000 3.195 -6.770) 7.486 4.836 ( 0.000 4.081 -16.429) 16.928 4.840 ( 0.000 -2.383 -13.217) 13.430 5.042 ( 0.000 -1.845 -1.243) 2.225 5.194 ( 0.000 -6.086 -1.076) 6.181 5.242 ( 0.000 -1.793 -2.886) 3.398 5.282 ( 0.000 -1.968 -0.965) 2.192 5.288 ( 0.000 2.398 7.651) 8.019 5.363 ( 0.000 5.611 -3.152) 6.436 5.501 ( 0.000 3.693 7.711) 8.550 5.629 ( 0.000 -11.541 2.884) 11.896 5.787 ( 0.000 -1.534 -2.992) 3.362 5.915 ( 0.000 -0.380 7.457) 7.467 6.043 ( 0.000 0.417 -1.056) 1.136 6.146 ( 0.000 -4.437 -6.768) 8.093 6.221 ( 0.000 -2.709 5.877) 6.471 6.245 ( 0.000 2.724 -2.061) 3.416 6.353 ( 0.000 -2.598 -0.761) 2.708 6.385 ( 0.000 0.104 3.488) 3.490 6.397 ( 0.000 8.550 2.795) 8.995 6.579 ( 0.000 -4.906 7.975) 9.363 6.619 ( 0.000 9.247 -2.522) 9.585 6.793 ( 0.000 2.673 -3.291) 4.240 6.815 ( 0.000 3.494 1.382) 3.758 6.980 ( 0.000 1.266 -1.637) 2.070 7.136 ( 0.000 1.609 10.164) 10.291 7.430 ( 0.000 -0.734 -1.476) 1.648 7.676 ( 0.000 0.690 1.893) 2.015 7.718 ( 0.000 3.290 -0.172) 3.295 7.778 ( 0.000 -10.222 8.817) 13.499 7.889 ( 0.000 -1.211 -2.649) 2.913 8.090 ( 0.000 -2.449 1.103) 2.686 8.272 ( 0.000 -6.502 -0.395) 6.514 8.383 ( 0.000 -5.897 -0.356) 5.908 8.480 ( 0.000 1.700 0.840) 1.897 8.529 ( 0.000 4.046 1.103) 4.193 8.535 ( 0.000 -6.273 1.342) 6.415 8.684 ( 0.000 -2.580 -0.479) 2.624 8.778 ( 0.000 -4.710 3.034) 5.603 8.812 ( 0.000 3.211 -3.478) 4.733 8.944 ( 0.000 0.526 -5.575) 5.600 9.164 ( 0.000 2.582 -0.669) 2.667 9.415 ( 0.000 4.326 -1.294) 4.515 9.460 ( 0.000 -0.999 -6.914) 6.986 9.606 ( 0.000 -2.669 -8.670) 9.072 9.677 ( 0.000 -2.992 0.710) 3.075 9.753 ( 0.000 -2.585 -1.005) 2.773 10.749 ( 0.000 5.377 5.871) 7.961 10.940 ( 0.000 -7.282 4.716) 8.676 11.017 ( 0.000 2.728 1.129) 2.952 11.146 ( 0.000 -1.074 4.037) 4.178 11.384 ( 0.000 1.071 -0.117) 1.078 11.408 ( 0.000 1.622 -3.030) 3.436 11.452 ( 0.000 -3.304 -0.049) 3.305 11.491 ( 0.000 6.700 0.788) 6.746 11.752 ( 0.000 1.575 0.922) 1.825 11.909 ( 0.000 4.594 1.692) 4.896 11.978 ( 0.000 6.631 -7.155) 9.755 12.004 ( 0.000 2.045 -2.426) 3.173 12.271 ( 0.000 2.481 0.289) 2.498 12.439 ( 0.000 22.724 -17.440) 28.645 12.505 ( 0.000 1.714 0.142) 1.720 12.790 ( 0.000 1.855 3.845) 4.269 12.808 ( 0.000 1.796 4.343) 4.699 12.832 ( 0.000 -7.340 -7.325) 10.369 12.923 ( 0.000 -4.332 -2.366) 4.936 13.005 ( 0.000 -1.069 -4.150) 4.286 14.245 ( 0.000 -3.002 9.446) 9.912 14.372 ( 0.000 -4.439 -3.310) 5.537 14.488 ( 0.000 -14.186 15.024) 20.663 14.812 ( 0.000 -5.815 -0.168) 5.817 15.343 ( 0.000 5.655 -5.363) 7.794 15.593 ( 0.000 5.440 -7.846) 9.547 15.728 ( 0.000 10.985 -19.452) 22.339 15.844 ( 0.000 -0.867 -18.469) 18.489 20.347 ( 0.000 0.566 -1.255) 1.377 20.415 ( 0.000 -0.737 -0.009) 0.737 20.604 ( 0.000 0.715 -1.287) 1.472 20.973 ( 0.000 -12.309 -3.081) 12.689 21.109 ( 0.000 1.173 3.549) 3.738 21.331 ( 0.000 -4.297 7.872) 8.968 21.419 ( 0.000 -11.486 7.863) 13.920 21.494 ( 0.000 -9.897 4.122) 10.721 21.777 ( 0.000 4.692 -0.174) 4.696 21.871 ( 0.000 11.115 -3.470) 11.644 22.023 ( 0.000 7.704 -2.780) 8.190 22.135 ( 0.000 -1.113 -0.759) 1.347 22.487 ( 0.000 9.869 -13.517) 16.736 22.663 ( 0.000 5.667 -7.590) 9.472 22.694 ( 0.000 -1.968 -1.518) 2.486 22.808 ( 0.000 3.060 -4.530) 5.467 22.882 ( 0.000 5.042 3.448) 6.108 22.981 ( 0.000 0.418 4.854) 4.872 23.108 ( 0.000 -1.723 12.520) 12.638 23.336 ( 0.000 1.771 0.399) 1.815 23.340 ( 0.000 -3.764 4.893) 6.173 23.630 ( 0.000 -3.605 3.390) 4.948 23.795 ( 0.000 1.840 -3.298) 3.777 24.381 ( 0.000 -16.636 9.405) 19.110 25.296 ( 0.000 0.514 0.641) 0.821 25.347 ( 0.000 -0.343 -0.719) 0.796 25.470 ( 0.000 0.959 -0.823) 1.263 25.632 ( 0.000 -1.589 -1.556) 2.224 ======================= Grid point 41 (17/72) ======================= q-point: ( 0.25 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 15.235 18.871 9.994) 26.232 0.932 ( 15.949 11.134 18.107) 26.575 1.521 ( -1.635 18.465 16.968) 25.130 1.659 ( -19.185 1.177 7.849) 20.762 1.774 ( 0.403 16.751 16.086) 23.227 2.239 ( 7.726 -3.352 -0.461) 8.434 2.394 ( -0.590 4.515 6.329) 7.797 2.405 ( 3.799 6.837 9.453) 12.270 2.463 ( -0.354 -5.247 2.755) 5.937 2.537 ( -0.452 0.325 3.747) 3.788 2.634 ( -2.469 0.802 1.610) 3.055 2.877 ( 3.137 -4.216 -3.270) 6.189 3.023 ( -18.127 6.219 6.235) 20.153 3.111 ( -4.607 -11.759 -8.543) 15.248 3.226 ( 2.623 -5.866 -4.414) 7.796 3.423 ( 1.320 1.559 -3.750) 4.271 3.426 ( -3.290 -0.689 -6.143) 7.002 3.532 ( -2.318 4.496 -4.183) 6.564 3.575 ( 2.198 -6.289 -1.830) 6.909 3.612 ( 1.478 -4.529 -0.370) 4.778 3.884 ( 0.968 -0.963 -0.397) 1.421 3.926 ( 2.846 1.757 2.766) 4.340 4.018 ( 4.887 0.619 -1.190) 5.068 4.084 ( 7.423 6.109 1.362) 9.710 4.227 ( -3.007 0.149 1.939) 3.581 4.282 ( 0.155 -1.326 0.616) 1.470 4.375 ( -0.376 -4.080 2.636) 4.872 4.539 ( 6.287 -7.659 -1.525) 10.026 4.678 ( -0.542 3.288 -6.702) 7.485 4.730 ( -4.995 0.500 -9.264) 10.537 4.828 ( 2.333 0.467 -5.774) 6.245 4.903 ( 2.985 -0.778 -11.117) 11.537 5.028 ( -1.070 0.226 -3.371) 3.544 5.155 ( -4.748 -1.486 -4.584) 6.764 5.223 ( 0.156 -4.474 -0.362) 4.491 5.290 ( 0.649 -0.967 -2.225) 2.511 5.298 ( 0.250 3.289 6.679) 7.449 5.366 ( -0.755 3.749 -3.202) 4.988 5.501 ( 0.893 1.508 8.163) 8.349 5.615 ( -2.234 -8.963 3.476) 9.870 5.739 ( -2.865 1.000 -0.820) 3.143 5.874 ( -7.027 1.369 0.876) 7.213 5.982 ( -0.028 -1.024 3.952) 4.082 6.090 ( -3.038 -4.146 0.409) 5.156 6.200 ( -3.136 -1.677 4.662) 5.863 6.229 ( 2.488 -2.477 -3.551) 4.993 6.342 ( -0.758 -5.474 0.119) 5.527 6.364 ( -5.071 2.400 2.348) 6.082 6.452 ( 4.402 1.345 4.986) 6.786 6.553 ( 4.097 9.056 2.084) 10.156 6.627 ( -2.116 7.984 -1.969) 8.491 6.733 ( -2.608 8.356 1.384) 8.862 7.041 ( 11.297 0.019 0.798) 11.325 7.150 ( 18.673 -2.502 -4.740) 19.427 7.166 ( 3.471 1.368 8.914) 9.663 7.370 ( -5.602 0.400 1.391) 5.786 7.591 ( -11.319 2.649 0.451) 11.633 7.672 ( -5.422 -4.497 5.332) 8.834 7.719 ( 1.180 1.596 -0.782) 2.133 7.873 ( -2.527 -0.058 -2.282) 3.405 8.104 ( 1.471 -2.753 0.453) 3.155 8.195 ( -8.587 -3.840 -0.872) 9.447 8.216 ( -9.859 -4.173 -1.035) 10.755 8.329 ( -9.686 -1.110 -0.344) 9.756 8.591 ( 6.674 -0.682 3.273) 7.465 8.640 ( 3.098 -1.483 0.709) 3.507 8.719 ( 4.350 -1.868 0.266) 4.741 8.784 ( -0.161 -3.491 0.239) 3.503 8.980 ( 11.425 -1.666 -2.035) 11.724 9.100 ( 7.244 -2.824 -6.718) 10.275 9.217 ( 5.101 -0.727 -0.210) 5.157 9.386 ( -5.552 -0.060 -5.758) 7.999 9.427 ( 2.010 3.055 -3.026) 4.747 9.601 ( -2.863 -0.339 -4.195) 5.090 9.731 ( 5.081 -6.536 -4.551) 9.447 9.786 ( 2.644 -5.414 -3.148) 6.798 10.804 ( 5.870 5.983 4.304) 9.422 10.956 ( 1.778 -5.376 4.326) 7.126 11.037 ( 0.643 1.782 1.851) 2.648 11.110 ( -5.206 2.718 2.830) 6.519 11.262 ( -3.882 -4.622 0.088) 6.036 11.331 ( -4.218 -6.736 3.026) 8.504 11.494 ( -0.828 0.483 -0.809) 1.254 11.545 ( 0.598 8.754 -0.083) 8.775 11.811 ( 3.810 5.340 -0.482) 6.577 11.856 ( -2.028 8.377 1.210) 8.704 12.065 ( 6.166 1.717 -5.384) 8.364 12.106 ( 8.734 -2.268 -2.251) 9.300 12.244 ( -1.633 3.266 0.759) 3.730 12.425 ( -3.723 3.837 -5.211) 7.466 12.555 ( 6.458 10.430 -13.718) 18.403 12.761 ( -2.801 -2.501 -2.295) 4.401 12.811 ( 0.486 2.195 3.187) 3.901 12.838 ( -0.044 -1.721 -4.224) 4.561 12.933 ( 1.036 -3.926 -1.915) 4.489 12.989 ( -1.530 -1.449 -3.218) 3.847 14.265 ( 2.177 -3.222 10.078) 10.803 14.420 ( -4.878 -8.290 13.040) 16.204 14.424 ( 4.760 -4.709 -1.799) 6.934 14.730 ( -8.093 -4.727 -0.942) 9.420 15.394 ( 5.169 5.165 -5.452) 9.117 15.577 ( -2.564 3.690 -5.100) 6.797 15.764 ( 3.149 5.988 -20.460) 21.550 15.838 ( -0.711 -0.474 -18.353) 18.373 20.435 ( 2.977 -0.216 -1.534) 3.356 20.457 ( 5.284 -0.628 -5.067) 7.348 20.652 ( 6.612 -3.255 -2.483) 7.777 20.930 ( -4.690 -10.415 -3.311) 11.893 21.133 ( 2.726 -0.980 2.495) 3.823 21.290 ( -3.977 -3.731 4.979) 7.384 21.428 ( 1.237 -11.330 7.295) 13.532 21.489 ( -0.844 -10.605 6.179) 12.303 21.789 ( 1.140 4.587 -0.268) 4.734 21.847 ( -1.914 8.475 -2.176) 8.957 22.069 ( 3.717 7.672 -4.371) 9.580 22.134 ( -0.133 0.114 -2.401) 2.408 22.516 ( 2.921 9.167 -11.259) 14.810 22.654 ( -2.797 2.370 -4.959) 6.167 22.659 ( -1.253 4.720 -4.607) 6.714 22.749 ( -4.752 4.427 -3.358) 7.311 22.899 ( 1.406 3.367 3.629) 5.146 22.965 ( -1.605 0.559 4.702) 4.999 23.138 ( 2.896 -1.223 13.453) 13.816 23.294 ( -4.331 -2.585 8.611) 9.979 23.422 ( 8.138 1.095 -0.579) 8.231 23.658 ( 2.902 -3.046 3.987) 5.796 23.743 ( -5.035 1.496 -2.011) 5.624 24.076 ( -21.589 -4.031 15.796) 27.053 25.366 ( 2.069 -0.217 -0.626) 2.172 25.426 ( 6.884 -2.515 -2.850) 7.864 25.459 ( 0.081 0.014 -0.682) 0.687 25.612 ( -2.171 -1.790 -1.762) 3.319 ======================= Grid point 42 (18/72) ======================= q-point: (-0.50 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -19.586 14.323 7.327) 25.346 1.241 ( 19.586 14.323 7.327) 25.346 1.284 ( -20.937 4.485 12.857) 24.975 1.284 ( 20.937 4.485 12.857) 24.975 2.074 ( -20.755 15.481 15.736) 30.300 2.074 ( 20.755 15.481 15.736) 30.300 2.381 ( -4.014 -3.805 -1.917) 5.854 2.381 ( 4.014 -3.805 -1.917) 5.854 2.576 ( -3.343 -0.757 4.935) 6.009 2.576 ( 3.343 -0.757 4.935) 6.009 2.672 ( -14.541 7.134 10.834) 19.486 2.672 ( 14.541 7.134 10.834) 19.486 3.013 ( -5.827 -10.382 -9.274) 15.091 3.013 ( 5.827 -10.382 -9.274) 15.091 3.307 ( -6.163 -3.065 -3.630) 7.782 3.307 ( 6.163 -3.065 -3.630) 7.782 3.488 ( -2.822 4.310 -6.725) 8.472 3.488 ( 2.822 4.310 -6.725) 8.472 3.614 ( -1.453 -6.925 0.322) 7.083 3.614 ( 1.453 -6.925 0.322) 7.083 3.911 ( -1.981 -0.930 0.907) 2.369 3.911 ( 1.981 -0.930 0.907) 2.369 4.099 ( -4.815 3.481 -0.311) 5.950 4.099 ( 4.815 3.481 -0.311) 5.950 4.264 ( -2.750 -3.721 -0.123) 4.629 4.264 ( 2.750 -3.721 -0.123) 4.629 4.483 ( -10.926 4.861 1.155) 12.014 4.483 ( 10.926 4.861 1.155) 12.014 4.675 ( -3.879 -4.248 -8.849) 10.555 4.675 ( 3.879 -4.248 -8.849) 10.555 4.900 ( -3.528 -1.889 -1.212) 4.181 4.900 ( 3.528 -1.889 -1.212) 4.181 5.058 ( -4.677 2.046 -9.626) 10.896 5.058 ( 4.677 2.046 -9.626) 10.896 5.257 ( -2.902 -2.994 1.727) 4.513 5.257 ( 2.902 -2.994 1.727) 4.513 5.330 ( -2.394 3.544 -0.766) 4.344 5.330 ( 2.394 3.544 -0.766) 4.344 5.549 ( -3.871 -2.456 6.153) 7.673 5.549 ( 3.871 -2.456 6.153) 7.673 5.757 ( -4.414 0.717 -1.428) 4.694 5.757 ( 4.414 0.717 -1.428) 4.694 6.032 ( -3.821 -3.287 3.128) 5.932 6.032 ( 3.821 -3.287 3.128) 5.932 6.204 ( -3.337 -3.153 2.741) 5.347 6.204 ( 3.337 -3.153 2.741) 5.347 6.330 ( -1.157 -3.492 -0.543) 3.719 6.330 ( 1.157 -3.492 -0.543) 3.719 6.544 ( -4.726 8.334 1.217) 9.658 6.544 ( 4.726 8.334 1.217) 9.658 6.658 ( -5.064 7.256 0.567) 8.866 6.658 ( 5.064 7.256 0.567) 8.866 7.218 ( -3.304 -1.249 4.273) 5.544 7.218 ( 3.304 -1.249 4.273) 5.544 7.346 ( -10.797 4.254 3.136) 12.022 7.346 ( 10.797 4.254 3.136) 12.022 7.490 ( -14.654 -2.464 -1.337) 14.920 7.490 ( 14.654 -2.464 -1.337) 14.920 7.795 ( -5.280 0.985 -2.322) 5.852 7.795 ( 5.280 0.985 -2.322) 5.852 8.091 ( -2.030 -3.694 -1.132) 4.364 8.091 ( 2.030 -3.694 -1.132) 4.364 8.188 ( -5.553 -2.019 0.390) 5.922 8.188 ( 5.553 -2.019 0.390) 5.922 8.666 ( -0.840 -1.357 2.815) 3.236 8.666 ( 0.840 -1.357 2.815) 3.236 8.773 ( -1.292 -2.453 -1.034) 2.959 8.773 ( 1.292 -2.453 -1.034) 2.959 9.141 ( -3.583 -2.740 -1.737) 4.833 9.141 ( 3.583 -2.740 -1.737) 4.833 9.277 ( -4.428 0.635 -4.186) 6.126 9.277 ( 4.428 0.635 -4.186) 6.126 9.516 ( -5.805 0.583 -3.810) 6.968 9.516 ( 5.805 0.583 -3.810) 6.968 9.800 ( -1.743 -7.056 -4.963) 8.800 9.800 ( 1.743 -7.056 -4.963) 8.800 10.944 ( -7.831 7.478 1.894) 10.993 10.944 ( 7.831 7.478 1.894) 10.993 11.018 ( -1.659 -3.760 3.333) 5.292 11.018 ( 1.659 -3.760 3.333) 5.292 11.269 ( -2.779 -9.711 3.086) 10.562 11.269 ( 2.779 -9.711 3.086) 10.562 11.506 ( -2.726 6.064 -0.445) 6.663 11.506 ( 2.726 6.064 -0.445) 6.663 11.844 ( -0.890 10.944 0.186) 10.982 11.844 ( 0.890 10.944 0.186) 10.982 12.153 ( -3.252 -1.385 -1.401) 3.802 12.153 ( 3.252 -1.385 -1.401) 3.802 12.315 ( -7.658 0.831 -0.629) 7.728 12.315 ( 7.658 0.831 -0.629) 7.728 12.683 ( -6.103 -1.000 -12.976) 14.375 12.683 ( 6.103 -1.000 -12.976) 14.375 12.826 ( -1.026 2.865 -0.054) 3.044 12.826 ( 1.026 2.865 -0.054) 3.044 12.958 ( -1.647 -2.907 -1.724) 3.760 12.958 ( 1.647 -2.907 -1.724) 3.760 14.324 ( -4.338 -4.425 11.987) 13.494 14.324 ( 4.338 -4.425 11.987) 13.494 14.563 ( -9.128 -3.933 -2.309) 10.204 14.563 ( 9.128 -3.933 -2.309) 10.204 15.499 ( -5.534 3.947 -4.894) 8.376 15.499 ( 5.534 3.947 -4.894) 8.376 15.814 ( -2.027 1.048 -18.891) 19.028 15.814 ( 2.027 1.048 -18.891) 19.028 20.480 ( -1.612 0.510 -2.905) 3.361 20.480 ( 1.612 0.510 -2.905) 3.361 20.809 ( -8.322 -7.711 -4.802) 12.320 20.809 ( 8.322 -7.711 -4.802) 12.320 21.206 ( -4.826 -3.463 1.480) 6.122 21.206 ( 4.826 -3.463 1.480) 6.122 21.461 ( -2.044 -11.185 7.580) 13.665 21.461 ( 2.044 -11.185 7.580) 13.665 21.815 ( -1.608 5.655 -0.926) 5.951 21.815 ( 1.608 5.655 -0.926) 5.951 22.122 ( -1.674 3.951 -4.819) 6.453 22.122 ( 1.674 3.951 -4.819) 6.453 22.581 ( -3.950 7.019 -7.015) 10.681 22.581 ( 3.950 7.019 -7.015) 10.681 22.675 ( -2.641 5.279 -3.641) 6.935 22.675 ( 2.641 5.279 -3.641) 6.935 22.930 ( -1.975 1.373 4.379) 4.996 22.930 ( 1.975 1.373 4.379) 4.996 23.207 ( -4.563 -1.063 13.510) 14.299 23.207 ( 4.563 -1.063 13.510) 14.299 23.589 ( -9.065 0.656 -1.893) 9.284 23.589 ( 9.065 0.656 -1.893) 9.284 23.788 ( -9.950 -1.432 10.262) 14.366 23.788 ( 9.950 -1.432 10.262) 14.366 25.411 ( -2.560 0.397 -0.856) 2.729 25.411 ( 2.560 0.397 -0.856) 2.729 25.551 ( -4.575 -2.620 -2.333) 5.765 25.551 ( 4.575 -2.620 -2.333) 5.765 ======================= Grid point 45 (19/72) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 23.659 7.507) 24.821 1.271 ( 0.000 29.183 -2.205) 29.266 1.906 ( 0.000 6.259 3.228) 7.042 1.916 ( 0.000 -2.930 5.442) 6.181 2.067 ( 0.000 9.908 11.611) 15.264 2.099 ( 0.000 13.443 2.801) 13.732 2.149 ( 0.000 -16.461 2.609) 16.666 2.366 ( 0.000 -18.304 -10.044) 20.879 2.555 ( 0.000 21.341 11.799) 24.385 2.570 ( 0.000 -1.367 1.162) 1.794 2.689 ( 0.000 1.753 5.688) 5.952 2.812 ( 0.000 -8.548 -1.674) 8.710 2.845 ( 0.000 -9.748 0.636) 9.769 3.107 ( 0.000 0.787 -3.004) 3.105 3.358 ( 0.000 -6.617 3.524) 7.496 3.397 ( 0.000 -7.428 -0.944) 7.488 3.442 ( 0.000 6.536 1.167) 6.640 3.459 ( 0.000 3.759 -3.375) 5.052 3.603 ( 0.000 2.298 -1.160) 2.574 3.673 ( 0.000 5.560 -2.411) 6.060 3.870 ( 0.000 -0.754 -0.975) 1.232 3.908 ( 0.000 3.375 1.632) 3.749 4.003 ( 0.000 0.927 3.651) 3.767 4.093 ( 0.000 -12.362 -1.885) 12.505 4.243 ( 0.000 10.621 3.292) 11.120 4.292 ( 0.000 1.878 -0.054) 1.879 4.309 ( 0.000 2.073 1.092) 2.343 4.380 ( 0.000 -0.345 2.828) 2.849 4.677 ( 0.000 2.785 -2.350) 3.644 4.700 ( 0.000 -9.616 -4.829) 10.761 4.818 ( 0.000 -2.169 -5.013) 5.462 4.858 ( 0.000 -5.438 -5.764) 7.924 5.031 ( 0.000 -1.934 -0.889) 2.129 5.055 ( 0.000 -6.065 0.497) 6.085 5.153 ( 0.000 -1.289 -1.792) 2.207 5.264 ( 0.000 0.536 -6.511) 6.533 5.405 ( 0.000 2.414 -1.030) 2.625 5.429 ( 0.000 -2.065 -0.656) 2.167 5.479 ( 0.000 0.820 -1.122) 1.389 5.585 ( 0.000 6.290 2.837) 6.900 5.732 ( 0.000 -1.152 -0.523) 1.266 5.892 ( 0.000 -2.332 6.906) 7.289 6.006 ( 0.000 -6.734 9.239) 11.432 6.026 ( 0.000 -6.658 -0.772) 6.703 6.106 ( 0.000 -2.787 5.962) 6.582 6.204 ( 0.000 -5.203 -2.597) 5.815 6.345 ( 0.000 2.493 -2.610) 3.609 6.387 ( 0.000 1.392 -6.044) 6.203 6.583 ( 0.000 7.331 1.608) 7.505 6.626 ( 0.000 4.292 5.090) 6.658 6.758 ( 0.000 3.652 -0.473) 3.682 6.834 ( 0.000 -0.061 -2.177) 2.178 6.968 ( 0.000 9.722 1.415) 9.825 7.060 ( 0.000 5.571 -2.645) 6.167 7.191 ( 0.000 4.826 5.716) 7.481 7.429 ( 0.000 1.949 -1.551) 2.491 7.559 ( 0.000 -9.245 5.345) 10.679 7.749 ( 0.000 3.191 0.093) 3.193 7.781 ( 0.000 -5.417 -0.962) 5.502 7.820 ( 0.000 0.848 0.673) 1.082 8.040 ( 0.000 -0.841 -1.416) 1.647 8.195 ( 0.000 -0.363 0.825) 0.901 8.259 ( 0.000 -6.531 -3.662) 7.488 8.388 ( 0.000 -7.692 4.796) 9.065 8.517 ( 0.000 1.976 1.858) 2.712 8.596 ( 0.000 2.562 1.977) 3.236 8.636 ( 0.000 -3.036 0.115) 3.038 8.690 ( 0.000 -3.534 3.140) 4.727 8.890 ( 0.000 3.887 -5.726) 6.921 8.960 ( 0.000 0.547 -8.421) 8.439 9.231 ( 0.000 3.743 -0.282) 3.754 9.395 ( 0.000 -4.133 -1.652) 4.451 9.510 ( 0.000 3.951 -3.803) 5.483 9.552 ( 0.000 -1.668 -7.834) 8.010 9.651 ( 0.000 -0.523 -2.214) 2.274 9.709 ( 0.000 -1.922 -1.185) 2.258 10.845 ( 0.000 1.886 3.427) 3.912 10.923 ( 0.000 7.295 4.448) 8.544 11.027 ( 0.000 -5.112 2.724) 5.792 11.116 ( 0.000 3.013 3.280) 4.454 11.311 ( 0.000 -7.458 -0.636) 7.485 11.349 ( 0.000 -4.764 -0.141) 4.766 11.521 ( 0.000 6.993 -2.003) 7.274 11.613 ( 0.000 2.745 -3.102) 4.142 11.828 ( 0.000 5.438 -1.218) 5.573 11.972 ( 0.000 -1.438 -1.711) 2.235 12.007 ( 0.000 5.812 1.450) 5.991 12.198 ( 0.000 10.642 -2.092) 10.846 12.362 ( 0.000 6.594 1.195) 6.701 12.493 ( 0.000 -10.274 -9.424) 13.942 12.517 ( 0.000 -0.978 -0.352) 1.039 12.715 ( 0.000 -7.089 0.776) 7.132 12.821 ( 0.000 1.409 2.500) 2.870 12.860 ( 0.000 -0.851 -2.607) 2.743 12.864 ( 0.000 2.855 4.587) 5.403 12.972 ( 0.000 -1.960 -1.116) 2.255 14.183 ( 0.000 -2.156 5.035) 5.477 14.264 ( 0.000 -5.360 -2.026) 5.730 14.400 ( 0.000 2.626 6.518) 7.027 14.669 ( 0.000 -7.810 0.134) 7.812 15.484 ( 0.000 7.831 -6.765) 10.349 15.689 ( 0.000 4.317 -7.718) 8.844 15.776 ( 0.000 -3.741 -13.459) 13.969 15.816 ( 0.000 -1.882 -14.583) 14.704 20.361 ( 0.000 0.757 -0.812) 1.110 20.396 ( 0.000 -0.971 -0.367) 1.039 20.627 ( 0.000 1.637 -3.130) 3.533 20.779 ( 0.000 -6.992 -3.493) 7.816 21.141 ( 0.000 1.867 3.861) 4.288 21.261 ( 0.000 -5.114 6.451) 8.232 21.277 ( 0.000 -1.467 8.099) 8.231 21.332 ( 0.000 -5.508 7.567) 9.359 21.889 ( 0.000 5.775 -0.830) 5.834 22.065 ( 0.000 7.311 -4.743) 8.715 22.075 ( 0.000 -2.587 -1.898) 3.209 22.155 ( 0.000 2.678 -3.449) 4.367 22.594 ( 0.000 3.107 -7.780) 8.377 22.662 ( 0.000 -1.249 -1.677) 2.091 22.769 ( 0.000 4.437 -6.388) 7.777 22.853 ( 0.000 0.993 -6.321) 6.398 22.979 ( 0.000 3.834 3.829) 5.419 22.994 ( 0.000 0.803 6.066) 6.119 23.077 ( 0.000 -0.667 8.369) 8.396 23.238 ( 0.000 -5.826 4.442) 7.326 23.383 ( 0.000 2.812 1.636) 3.254 23.541 ( 0.000 -4.738 2.468) 5.342 23.851 ( 0.000 3.896 -2.018) 4.387 24.122 ( 0.000 -9.810 4.182) 10.665 25.310 ( 0.000 0.771 0.331) 0.839 25.338 ( 0.000 -0.526 -0.525) 0.743 25.499 ( 0.000 1.838 -1.077) 2.130 25.591 ( 0.000 -2.307 -1.545) 2.776 ======================= Grid point 46 (20/72) ======================= q-point: ( 0.25 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 7.137 21.070 6.791) 23.259 1.383 ( 10.227 25.835 0.337) 27.788 1.716 ( -12.725 5.519 5.724) 15.005 1.865 ( -12.781 17.143 4.755) 21.905 2.049 ( 5.187 -6.714 -0.441) 8.495 2.146 ( 1.609 -13.824 1.901) 14.047 2.254 ( 8.161 11.551 10.026) 17.337 2.379 ( 1.914 -16.465 -6.748) 17.897 2.535 ( -3.548 -4.838 2.514) 6.505 2.617 ( -5.900 4.605 7.206) 10.390 2.664 ( 8.575 13.476 7.386) 17.598 2.816 ( 0.352 -1.950 -0.970) 2.206 2.831 ( -0.495 -10.709 -2.367) 10.978 3.142 ( -1.321 -0.164 0.478) 1.414 3.226 ( -9.628 6.619 0.791) 11.710 3.331 ( -3.868 -5.667 4.144) 8.016 3.448 ( 1.565 -3.503 1.330) 4.061 3.502 ( 3.862 3.982 -3.069) 6.339 3.564 ( -3.318 3.357 0.382) 4.736 3.667 ( -1.764 6.212 -3.285) 7.245 3.867 ( 0.510 -1.371 -0.180) 1.474 3.943 ( 0.294 -0.879 1.194) 1.511 4.005 ( 1.900 -1.941 1.772) 3.244 4.124 ( 1.587 -10.588 -2.059) 10.902 4.224 ( -1.432 3.416 -2.275) 4.347 4.294 ( -0.426 7.290 1.179) 7.397 4.375 ( 6.171 -0.569 1.215) 6.315 4.440 ( 7.042 2.819 3.423) 8.322 4.627 ( -3.730 -6.719 -5.156) 9.254 4.757 ( 0.854 0.055 -2.265) 2.421 4.780 ( -0.441 -2.331 -3.984) 4.637 4.872 ( -0.048 -4.824 -2.738) 5.548 5.040 ( 1.495 -0.710 -3.173) 3.579 5.077 ( 2.324 -4.328 -0.609) 4.950 5.150 ( -0.664 -1.750 -1.512) 2.406 5.249 ( -2.187 -1.237 -5.161) 5.740 5.403 ( -1.389 -1.553 -0.780) 2.225 5.415 ( -0.081 5.975 0.771) 6.025 5.482 ( 0.955 -2.651 -2.228) 3.592 5.567 ( -1.688 5.420 -0.318) 5.686 5.736 ( 0.960 0.839 1.197) 1.749 5.884 ( -4.021 -1.447 7.333) 8.488 5.929 ( -1.803 -4.696 3.871) 6.347 6.029 ( -1.622 -3.719 -1.284) 4.255 6.122 ( 0.357 -4.852 5.345) 7.228 6.207 ( -0.500 -4.722 -2.627) 5.427 6.225 ( -5.079 1.596 -0.518) 5.349 6.286 ( -7.539 -2.657 0.199) 7.996 6.615 ( 4.753 7.589 2.715) 9.357 6.679 ( 4.700 3.961 2.751) 6.734 6.836 ( -2.305 8.746 0.501) 9.058 6.902 ( 0.031 5.799 -2.633) 6.369 7.062 ( 9.841 2.433 0.757) 10.166 7.115 ( 13.515 -0.723 -3.191) 13.905 7.216 ( 2.562 4.352 5.032) 7.129 7.405 ( -1.754 4.044 0.343) 4.421 7.536 ( -2.571 -7.462 2.907) 8.411 7.681 ( -7.877 3.506 -0.112) 8.622 7.761 ( -2.179 1.611 -1.054) 2.907 7.828 ( 1.379 -3.717 0.171) 3.969 8.035 ( 0.480 -3.412 -0.782) 3.533 8.108 ( -9.367 -3.853 -1.196) 10.199 8.131 ( -8.080 -2.800 -0.453) 8.563 8.266 ( -9.360 -4.960 2.817) 10.961 8.591 ( 5.128 0.812 2.834) 5.915 8.622 ( 2.501 0.176 1.560) 2.953 8.684 ( 3.219 -1.807 0.588) 3.738 8.710 ( 1.384 -3.400 1.698) 4.044 8.988 ( 8.816 2.228 -4.359) 10.084 9.069 ( 7.784 -0.954 -7.538) 10.877 9.230 ( -0.525 1.518 0.391) 1.653 9.341 ( -4.891 -3.326 -2.934) 6.603 9.512 ( 1.109 4.054 -4.202) 5.943 9.590 ( 1.376 -0.218 -5.288) 5.469 9.650 ( 1.081 -1.780 -3.556) 4.121 9.713 ( 0.111 -2.648 -2.038) 3.343 10.880 ( 3.726 0.842 3.286) 5.039 10.969 ( 4.835 6.442 3.039) 8.609 11.051 ( 2.484 -4.844 3.332) 6.383 11.093 ( -2.817 3.930 2.848) 5.612 11.202 ( -6.364 -5.228 2.420) 8.584 11.354 ( -10.229 8.404 -2.488) 13.471 11.434 ( 3.283 -5.631 -1.740) 6.746 11.635 ( -2.218 -0.970 -3.186) 4.002 11.916 ( 7.538 5.027 -0.732) 9.090 11.995 ( 2.401 5.337 -1.609) 6.069 12.069 ( 5.790 -0.026 -0.585) 5.820 12.188 ( -1.229 7.862 -2.373) 8.304 12.343 ( -1.631 6.567 0.862) 6.821 12.424 ( -4.816 -2.764 -3.396) 6.509 12.571 ( 3.214 -5.827 -3.844) 7.685 12.687 ( -2.733 -5.635 -0.028) 6.263 12.829 ( 0.755 0.107 2.504) 2.618 12.853 ( -0.406 1.094 3.512) 3.701 12.884 ( 1.689 -0.076 -1.433) 2.216 12.956 ( -1.617 -1.891 -1.350) 2.831 14.210 ( 2.894 -1.303 5.280) 6.161 14.319 ( 5.671 -5.397 -1.858) 8.046 14.362 ( -3.690 2.159 6.348) 7.654 14.604 ( -6.613 -7.114 -0.337) 9.719 15.520 ( 3.646 7.028 -7.055) 10.605 15.665 ( -2.641 4.551 -7.423) 9.099 15.781 ( 0.663 -3.392 -13.582) 14.015 15.812 ( -0.514 -2.233 -13.958) 14.144 20.430 ( 3.823 -0.227 -1.214) 4.017 20.440 ( 6.613 -0.848 -2.501) 7.121 20.612 ( -1.318 -0.281 -2.334) 2.695 20.743 ( -3.872 -7.166 -3.664) 8.931 21.148 ( 0.896 1.717 4.389) 4.798 21.239 ( -3.260 -1.054 7.561) 8.301 21.274 ( 1.237 -4.942 6.154) 7.989 21.328 ( -0.790 -5.460 7.995) 9.713 21.903 ( 1.540 5.899 -1.054) 6.187 22.011 ( -3.989 6.993 -3.214) 8.668 22.092 ( 1.467 -2.765 -1.858) 3.640 22.159 ( -0.664 0.594 -4.265) 4.357 22.621 ( 2.934 3.522 -5.934) 7.498 22.688 ( 2.198 0.958 -4.625) 5.210 22.755 ( -1.301 3.733 -5.865) 7.073 22.821 ( -2.850 1.854 -6.177) 7.051 22.982 ( -0.196 3.003 4.178) 5.149 22.988 ( -0.379 3.061 4.441) 5.408 23.102 ( 2.581 -2.191 8.405) 9.061 23.212 ( -2.481 -5.137 5.380) 7.842 23.457 ( 7.439 2.341 1.336) 7.912 23.587 ( 5.079 -3.718 3.204) 7.063 23.788 ( -6.516 3.069 -1.257) 7.311 23.977 ( -13.136 -5.418 5.772) 15.337 25.363 ( 3.177 0.015 -0.368) 3.198 25.386 ( 5.967 -1.219 -0.987) 6.170 25.479 ( -2.067 1.585 -0.959) 2.776 25.568 ( -2.605 -2.417 -1.558) 3.880 ======================= Grid point 47 (21/72) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -12.000 13.467 6.963) 19.336 1.467 ( 12.000 13.467 6.963) 19.336 1.616 ( -12.956 21.154 2.462) 24.928 1.616 ( 12.956 21.154 2.462) 24.928 2.130 ( -3.073 -13.684 -1.866) 14.149 2.130 ( 3.073 -13.684 -1.866) 14.149 2.412 ( -4.377 2.156 2.603) 5.530 2.412 ( 4.377 2.156 2.603) 5.530 2.480 ( -3.433 -3.969 5.898) 7.895 2.480 ( 3.433 -3.969 5.898) 7.895 2.803 ( -3.000 -4.874 -2.085) 6.091 2.803 ( 3.000 -4.874 -2.085) 6.091 2.914 ( -12.654 11.567 5.947) 18.147 2.914 ( 12.654 11.567 5.947) 18.147 3.261 ( -4.296 -3.069 1.779) 5.571 3.261 ( 4.296 -3.069 1.779) 5.571 3.482 ( -2.750 -0.720 1.380) 3.160 3.482 ( 2.750 -0.720 1.380) 3.160 3.606 ( -4.733 5.174 -3.536) 7.853 3.606 ( 4.733 5.174 -3.536) 7.853 3.901 ( -3.029 -0.736 1.615) 3.511 3.901 ( 3.029 -0.736 1.615) 3.511 4.082 ( -4.831 -5.996 -0.820) 7.744 4.082 ( 4.831 -5.996 -0.820) 7.744 4.255 ( -3.205 3.337 -1.495) 4.862 4.255 ( 3.205 3.337 -1.495) 4.862 4.489 ( -5.022 -5.423 -0.389) 7.401 4.489 ( 5.022 -5.423 -0.389) 7.401 4.652 ( -7.839 3.614 -2.865) 9.095 4.652 ( 7.839 3.614 -2.865) 9.095 4.842 ( -2.987 -3.832 -0.704) 4.910 4.842 ( 2.987 -3.832 -0.704) 4.910 5.084 ( -2.548 0.490 -4.343) 5.059 5.084 ( 2.548 0.490 -4.343) 5.059 5.178 ( -4.581 -4.271 -0.906) 6.329 5.178 ( 4.581 -4.271 -0.906) 6.329 5.400 ( -1.033 2.973 -0.301) 3.161 5.400 ( 1.033 2.973 -0.301) 3.161 5.525 ( -2.947 0.615 -2.992) 4.245 5.525 ( 2.947 0.615 -2.992) 4.245 5.781 ( -4.352 1.368 3.101) 5.516 5.781 ( 4.352 1.368 3.101) 5.516 5.966 ( -3.818 -3.946 2.139) 5.893 5.966 ( 3.818 -3.946 2.139) 5.893 6.147 ( -3.975 -1.653 1.335) 4.508 6.147 ( 3.975 -1.653 1.335) 4.508 6.217 ( -0.939 -5.159 1.162) 5.371 6.217 ( 0.939 -5.159 1.162) 5.371 6.722 ( -5.589 7.372 1.781) 9.421 6.722 ( 5.589 7.372 1.781) 9.421 6.809 ( -6.192 5.648 0.255) 8.385 6.809 ( 6.192 5.648 0.255) 8.385 7.215 ( -3.682 1.937 1.583) 4.452 7.215 ( 3.682 1.937 1.583) 4.452 7.403 ( -8.613 -3.090 -0.758) 9.182 7.403 ( 8.613 -3.090 -0.758) 9.182 7.484 ( -7.981 6.348 1.607) 10.324 7.484 ( 7.981 6.348 1.607) 10.324 7.788 ( -4.428 -3.096 -2.793) 6.082 7.788 ( 4.428 -3.096 -2.793) 6.082 8.014 ( -3.347 -2.408 0.485) 4.152 8.014 ( 3.347 -2.408 0.485) 4.152 8.116 ( -6.355 -4.677 1.529) 8.037 8.116 ( 6.355 -4.677 1.529) 8.037 8.649 ( -0.681 0.194 2.769) 2.858 8.649 ( 0.681 0.194 2.769) 2.858 8.721 ( -0.508 -2.474 -0.074) 2.526 8.721 ( 0.508 -2.474 -0.074) 2.526 9.126 ( -4.283 1.220 -2.237) 4.984 9.126 ( 4.283 1.220 -2.237) 4.984 9.243 ( -4.646 -3.161 -3.964) 6.877 9.243 ( 4.646 -3.161 -3.964) 6.877 9.559 ( -3.281 3.265 -3.902) 6.054 9.559 ( 3.281 3.265 -3.902) 6.054 9.696 ( -2.250 -3.588 -3.817) 5.702 9.696 ( 2.250 -3.588 -3.817) 5.702 10.970 ( -5.474 0.024 3.251) 6.366 10.970 ( 5.474 0.024 3.251) 6.366 11.105 ( -4.353 -4.568 3.015) 6.994 11.105 ( 4.353 -4.568 3.015) 6.994 11.154 ( -9.424 9.663 0.289) 13.501 11.154 ( 9.424 9.663 0.289) 13.501 11.539 ( -6.825 -3.810 -2.890) 8.334 11.539 ( 6.825 -3.810 -2.890) 8.334 12.018 ( -1.977 6.522 -1.065) 6.898 12.018 ( 1.977 6.522 -1.065) 6.898 12.155 ( -2.686 0.469 -2.956) 4.022 12.155 ( 2.686 0.469 -2.956) 4.022 12.343 ( -2.867 3.546 0.035) 4.561 12.343 ( 2.867 3.546 0.035) 4.561 12.629 ( -3.275 -5.164 -2.122) 6.473 12.629 ( 3.275 -5.164 -2.122) 6.473 12.843 ( -0.678 0.100 3.329) 3.399 12.843 ( 0.678 0.100 3.329) 3.399 12.920 ( -2.135 -1.327 -1.776) 3.078 12.920 ( 2.135 -1.327 -1.776) 3.078 14.281 ( -4.551 0.636 5.830) 7.423 14.281 ( 4.551 0.636 5.830) 7.423 14.457 ( -8.618 -5.983 -1.232) 10.564 14.457 ( 8.618 -5.983 -1.232) 10.564 15.598 ( -4.384 5.518 -7.354) 10.186 15.598 ( 4.384 5.518 -7.354) 10.186 15.798 ( -1.002 -2.813 -13.417) 13.745 15.798 ( 1.002 -2.813 -13.417) 13.745 20.497 ( -2.467 1.336 -2.869) 4.013 20.497 ( 2.467 1.336 -2.869) 4.013 20.645 ( -5.900 -6.966 -2.896) 9.577 20.645 ( 5.900 -6.966 -2.896) 9.577 21.180 ( -2.710 0.722 5.736) 6.385 21.180 ( 2.710 0.722 5.736) 6.385 21.303 ( -1.698 -5.325 7.405) 9.278 21.303 ( 1.698 -5.325 7.405) 9.278 21.945 ( -3.042 6.377 -1.791) 7.289 21.945 ( 3.042 6.377 -1.791) 7.289 22.128 ( -2.251 -2.062 -3.011) 4.288 22.128 ( 2.251 -2.062 -3.011) 4.288 22.684 ( -3.141 4.171 -5.776) 7.786 22.684 ( 3.141 4.171 -5.776) 7.786 22.765 ( -2.850 1.813 -6.192) 7.054 22.765 ( 2.850 1.813 -6.192) 7.054 22.981 ( -0.280 3.586 4.091) 5.447 22.981 ( 0.280 3.586 4.091) 5.447 23.158 ( -3.256 -3.755 7.285) 8.819 23.158 ( 3.256 -3.755 7.285) 8.819 23.621 ( -9.058 2.451 0.046) 9.384 23.621 ( 9.058 2.451 0.046) 9.384 23.745 ( -10.216 -2.794 5.610) 11.985 23.745 ( 10.216 -2.794 5.610) 11.985 25.425 ( -3.360 1.024 -0.855) 3.616 25.425 ( 3.360 1.024 -0.855) 3.616 25.497 ( -5.087 -2.504 -1.426) 5.846 25.497 ( 5.087 -2.504 -1.426) 5.846 ======================= Grid point 50 (22/72) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.000 -22.285 2.659) 22.443 1.698 ( 0.000 22.285 2.659) 22.443 1.839 ( 0.000 -18.458 -2.414) 18.615 1.839 ( 0.000 18.458 -2.414) 18.615 1.933 ( 0.000 -7.960 -3.134) 8.555 1.933 ( 0.000 7.960 -3.134) 8.555 2.387 ( 0.000 -13.597 4.255) 14.247 2.387 ( 0.000 13.597 4.255) 14.247 2.431 ( 0.000 -18.225 -0.594) 18.234 2.431 ( 0.000 18.225 -0.594) 18.234 2.761 ( 0.000 -2.921 2.864) 4.091 2.761 ( 0.000 2.921 2.864) 4.091 3.033 ( 0.000 -16.005 7.263) 17.576 3.033 ( 0.000 16.005 7.263) 17.576 3.254 ( 0.000 -4.114 1.557) 4.399 3.254 ( 0.000 4.114 1.557) 4.399 3.535 ( 0.000 -0.568 2.999) 3.053 3.535 ( 0.000 0.568 2.999) 3.053 3.706 ( 0.000 -4.595 -4.488) 6.424 3.706 ( 0.000 4.595 -4.488) 6.424 3.863 ( 0.000 -3.801 -0.255) 3.810 3.863 ( 0.000 3.801 -0.255) 3.810 3.971 ( 0.000 -2.597 1.539) 3.019 3.971 ( 0.000 2.597 1.539) 3.019 4.304 ( 0.000 -0.465 -0.426) 0.630 4.304 ( 0.000 0.465 -0.426) 0.630 4.486 ( 0.000 -8.590 -0.173) 8.592 4.486 ( 0.000 8.590 -0.173) 8.592 4.595 ( 0.000 -15.206 1.125) 15.248 4.595 ( 0.000 15.206 1.125) 15.248 4.758 ( 0.000 -3.131 -1.780) 3.602 4.758 ( 0.000 3.131 -1.780) 3.602 4.989 ( 0.000 -0.198 0.607) 0.638 4.989 ( 0.000 0.198 0.607) 0.638 5.222 ( 0.000 -5.262 -3.219) 6.169 5.222 ( 0.000 5.262 -3.219) 6.169 5.389 ( 0.000 -0.240 -4.502) 4.509 5.389 ( 0.000 0.240 -4.502) 4.509 5.605 ( 0.000 -5.941 -2.160) 6.321 5.605 ( 0.000 5.941 -2.160) 6.321 5.799 ( 0.000 -6.810 4.051) 7.924 5.799 ( 0.000 6.810 4.051) 7.924 5.925 ( 0.000 -1.290 5.166) 5.325 5.925 ( 0.000 1.290 5.166) 5.325 6.118 ( 0.000 -2.683 1.791) 3.226 6.118 ( 0.000 2.683 1.791) 3.226 6.390 ( 0.000 -1.335 -5.262) 5.428 6.390 ( 0.000 1.335 -5.262) 5.428 6.669 ( 0.000 -0.819 4.056) 4.138 6.669 ( 0.000 0.819 4.056) 4.138 6.809 ( 0.000 -1.894 -1.176) 2.229 6.809 ( 0.000 1.894 -1.176) 2.229 7.097 ( 0.000 -2.679 -0.817) 2.801 7.097 ( 0.000 2.679 -0.817) 2.801 7.358 ( 0.000 -10.233 3.237) 10.733 7.358 ( 0.000 10.233 3.237) 10.733 7.568 ( 0.000 -10.998 -0.910) 11.035 7.568 ( 0.000 10.998 -0.910) 11.035 7.820 ( 0.000 -3.014 0.543) 3.062 7.820 ( 0.000 3.014 0.543) 3.062 8.116 ( 0.000 -7.148 -3.647) 8.025 8.116 ( 0.000 7.148 -3.647) 8.025 8.248 ( 0.000 -5.214 3.901) 6.512 8.248 ( 0.000 5.214 3.901) 6.512 8.567 ( 0.000 -3.052 2.563) 3.985 8.567 ( 0.000 3.052 2.563) 3.985 8.640 ( 0.000 -1.969 1.990) 2.800 8.640 ( 0.000 1.969 1.990) 2.800 8.950 ( 0.000 -1.761 -7.785) 7.982 8.950 ( 0.000 1.761 -7.785) 7.982 9.310 ( 0.000 -4.051 -0.290) 4.061 9.310 ( 0.000 4.051 -0.290) 4.061 9.545 ( 0.000 -0.142 -7.045) 7.047 9.545 ( 0.000 0.142 -7.045) 7.047 9.667 ( 0.000 -2.022 -1.135) 2.318 9.667 ( 0.000 2.022 -1.135) 2.318 10.912 ( 0.000 -4.978 3.596) 6.141 10.912 ( 0.000 4.978 3.596) 6.141 11.103 ( 0.000 -8.438 1.970) 8.665 11.103 ( 0.000 8.438 1.970) 8.665 11.245 ( 0.000 -4.499 0.952) 4.599 11.245 ( 0.000 4.499 0.952) 4.599 11.616 ( 0.000 -2.129 -3.244) 3.880 11.616 ( 0.000 2.129 -3.244) 3.880 11.927 ( 0.000 -3.381 -1.033) 3.535 11.927 ( 0.000 3.381 -1.033) 3.535 12.185 ( 0.000 -11.245 -4.294) 12.037 12.185 ( 0.000 11.245 -4.294) 12.037 12.441 ( 0.000 -5.316 -0.113) 5.318 12.441 ( 0.000 5.316 -0.113) 5.318 12.537 ( 0.000 -8.965 2.264) 9.246 12.537 ( 0.000 8.965 2.264) 9.246 12.843 ( 0.000 -0.845 -0.324) 0.905 12.843 ( 0.000 0.845 -0.324) 0.905 12.921 ( 0.000 -2.904 3.640) 4.657 12.921 ( 0.000 2.904 3.640) 4.657 14.182 ( 0.000 -2.212 0.639) 2.303 14.182 ( 0.000 2.212 0.639) 2.303 14.512 ( 0.000 -7.292 1.614) 7.469 14.512 ( 0.000 7.292 1.614) 7.469 15.647 ( 0.000 -7.779 -9.216) 12.060 15.647 ( 0.000 7.779 -9.216) 12.060 15.766 ( 0.000 -3.069 -10.427) 10.869 15.766 ( 0.000 3.069 -10.427) 10.869 20.377 ( 0.000 -0.884 -0.546) 1.039 20.377 ( 0.000 0.884 -0.546) 1.039 20.676 ( 0.000 -3.427 -4.205) 5.424 20.676 ( 0.000 3.427 -4.205) 5.424 21.186 ( 0.000 -2.683 4.966) 5.644 21.186 ( 0.000 2.683 4.966) 5.644 21.270 ( 0.000 -0.965 8.821) 8.874 21.270 ( 0.000 0.965 8.821) 8.874 21.998 ( 0.000 -4.754 -1.192) 4.901 21.998 ( 0.000 4.754 -1.192) 4.901 22.162 ( 0.000 -2.226 -4.654) 5.159 22.162 ( 0.000 2.226 -4.654) 5.159 22.638 ( 0.000 -1.421 -3.983) 4.229 22.638 ( 0.000 1.421 -3.983) 4.229 22.840 ( 0.000 -2.310 -6.732) 7.117 22.840 ( 0.000 2.310 -6.732) 7.117 23.009 ( 0.000 -0.446 6.926) 6.940 23.009 ( 0.000 0.446 6.926) 6.940 23.123 ( 0.000 -4.945 4.495) 6.683 23.123 ( 0.000 4.945 4.495) 6.683 23.451 ( 0.000 -3.966 1.982) 4.434 23.451 ( 0.000 3.966 1.982) 4.434 23.958 ( 0.000 -6.615 -0.032) 6.615 23.958 ( 0.000 6.615 -0.032) 6.615 25.325 ( 0.000 -0.734 -0.105) 0.742 25.325 ( 0.000 0.734 -0.105) 0.742 25.543 ( 0.000 -2.380 -1.355) 2.739 25.543 ( 0.000 2.380 -1.355) 2.739 ======================= Grid point 52 (23/72) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 2.722 -21.375 1.847) 21.627 1.722 ( 2.722 21.375 1.847) 21.627 1.858 ( -0.872 -11.637 2.424) 11.918 1.858 ( -0.872 11.637 2.424) 11.918 1.938 ( 3.193 -21.643 -5.849) 22.646 1.938 ( 3.193 21.643 -5.849) 22.646 2.236 ( -9.736 -18.515 0.917) 20.939 2.236 ( -9.736 18.515 0.917) 20.939 2.552 ( 6.828 -13.565 2.632) 15.413 2.552 ( 6.828 13.565 2.632) 15.413 2.736 ( -2.687 -4.432 2.747) 5.866 2.736 ( -2.687 4.432 2.747) 5.866 3.061 ( 2.921 -14.265 5.931) 15.723 3.061 ( 2.921 14.265 5.931) 15.723 3.216 ( -3.791 -1.453 1.592) 4.361 3.216 ( -3.791 1.453 1.592) 4.361 3.554 ( 1.980 -3.724 2.843) 5.087 3.554 ( 1.980 3.724 2.843) 5.087 3.668 ( -3.378 -6.544 -1.680) 7.553 3.668 ( -3.378 6.544 -1.680) 7.553 3.897 ( 2.648 -6.309 -0.612) 6.869 3.897 ( 2.648 6.309 -0.612) 6.870 3.956 ( -1.179 -2.783 1.572) 3.407 3.956 ( -1.179 2.783 1.572) 3.407 4.304 ( 0.910 -4.196 -1.102) 4.433 4.304 ( 0.910 4.196 -1.102) 4.433 4.450 ( -4.299 -8.505 -0.914) 9.574 4.450 ( -4.299 8.505 -0.914) 9.574 4.652 ( 5.759 -11.650 0.044) 12.996 4.652 ( 5.759 11.650 0.044) 12.996 4.773 ( 0.643 -1.911 -0.979) 2.241 4.773 ( 0.643 1.911 -0.979) 2.241 5.020 ( 3.398 -0.821 -0.035) 3.496 5.020 ( 3.398 0.821 -0.035) 3.496 5.190 ( -3.458 -4.107 -2.329) 5.852 5.190 ( -3.458 4.107 -2.329) 5.852 5.411 ( 2.589 -2.214 -4.582) 5.709 5.411 ( 2.589 2.214 -4.582) 5.709 5.571 ( -3.648 -5.833 -2.393) 7.284 5.571 ( -3.648 5.833 -2.393) 7.284 5.816 ( 1.670 -6.270 3.399) 7.324 5.816 ( 1.670 6.270 3.399) 7.324 5.906 ( -2.059 -4.822 4.059) 6.631 5.906 ( -2.059 4.822 4.059) 6.631 6.121 ( 0.509 -2.836 1.742) 3.367 6.121 ( 0.509 2.836 1.742) 3.367 6.260 ( -8.904 -1.093 -2.106) 9.214 6.260 ( -8.904 1.093 -2.106) 9.214 6.710 ( 4.815 -1.418 3.438) 6.084 6.710 ( 4.815 1.418 3.438) 6.084 6.932 ( 1.569 -1.668 -1.629) 2.810 6.932 ( 1.569 1.668 -1.629) 2.810 7.107 ( 7.621 -0.935 -0.530) 7.696 7.107 ( 7.621 0.935 -0.530) 7.696 7.359 ( -0.300 -8.793 2.385) 9.116 7.359 ( -0.300 8.793 2.385) 9.116 7.570 ( 0.894 -10.316 -0.876) 10.391 7.570 ( 0.894 10.316 -0.876) 10.391 7.811 ( -3.323 -1.695 -0.065) 3.731 7.811 ( -3.323 1.695 -0.065) 3.731 8.017 ( -6.228 -2.851 -1.784) 7.078 8.017 ( -6.228 2.851 -1.784) 7.078 8.161 ( -7.692 -4.309 2.993) 9.311 8.161 ( -7.692 4.309 2.993) 9.311 8.620 ( 4.108 -1.576 1.433) 4.627 8.620 ( 4.108 1.576 1.433) 4.627 8.662 ( 1.906 -1.097 2.334) 3.207 8.662 ( 1.906 1.097 2.334) 3.207 9.039 ( 7.570 -2.185 -6.411) 10.158 9.039 ( 7.570 2.185 -6.411) 10.158 9.275 ( -3.830 -2.889 -0.830) 4.868 9.275 ( -3.830 2.889 -0.830) 4.868 9.572 ( 2.797 -2.014 -6.079) 6.988 9.572 ( 2.797 2.014 -6.079) 6.988 9.661 ( -0.808 -2.403 -1.906) 3.172 9.661 ( -0.808 2.403 -1.906) 3.172 10.936 ( 2.704 -4.465 3.300) 6.176 10.936 ( 2.704 4.465 3.300) 6.176 11.093 ( -2.788 -5.104 2.692) 6.409 11.093 ( -2.788 5.104 2.692) 6.409 11.254 ( 3.462 -9.533 -0.176) 10.144 11.254 ( 3.462 9.533 -0.176) 10.144 11.541 ( -7.509 -7.430 -2.880) 10.949 11.541 ( -7.509 7.430 -2.880) 10.949 11.997 ( 6.556 -2.752 -1.810) 7.337 11.997 ( 6.556 2.752 -1.810) 7.337 12.185 ( -1.054 -7.756 -4.126) 8.848 12.185 ( -1.054 7.756 -4.126) 8.848 12.445 ( 0.889 -5.784 0.424) 5.867 12.445 ( 0.889 5.784 0.424) 5.867 12.521 ( -1.677 -8.876 1.924) 9.236 12.521 ( -1.677 8.876 1.924) 9.236 12.851 ( 0.915 -1.457 0.402) 1.767 12.851 ( 0.915 1.457 0.402) 1.767 12.907 ( -1.462 -2.608 3.190) 4.372 12.907 ( -1.462 2.608 3.190) 4.372 14.228 ( 4.799 -3.004 0.749) 5.712 14.228 ( 4.799 3.004 0.749) 5.712 14.460 ( -5.248 -6.596 1.443) 8.552 14.460 ( -5.248 6.596 1.443) 8.552 15.667 ( 2.036 -6.994 -9.344) 11.848 15.667 ( 2.036 6.994 -9.344) 11.848 15.751 ( -1.628 -3.721 -10.211) 10.989 15.751 ( -1.628 3.721 -10.211) 10.989 20.429 ( 5.213 -0.225 -1.188) 5.351 20.429 ( 5.213 0.225 -1.188) 5.351 20.640 ( -3.870 -3.099 -3.788) 6.240 20.640 ( -3.870 3.099 -3.788) 6.240 21.195 ( 0.977 -2.932 5.497) 6.306 21.195 ( 0.977 2.932 5.497) 6.306 21.254 ( -1.604 -2.110 8.240) 8.656 21.254 ( -1.604 2.110 8.240) 8.656 22.013 ( 1.666 -4.732 -1.459) 5.225 22.013 ( 1.666 4.732 -1.459) 5.225 22.124 ( -3.495 -3.783 -3.687) 6.335 22.124 ( -3.495 3.783 -3.687) 6.335 22.677 ( 3.778 -1.866 -4.573) 6.218 22.677 ( 3.778 1.866 -4.573) 6.218 22.817 ( -2.473 -1.984 -6.148) 6.918 22.817 ( -2.473 1.984 -6.148) 6.918 23.027 ( 1.829 -1.941 5.775) 6.361 23.027 ( 1.829 1.941 5.775) 6.361 23.106 ( -1.698 -4.503 4.311) 6.461 23.106 ( -1.698 4.503 4.311) 6.461 23.515 ( 6.777 -3.277 2.330) 7.880 23.515 ( 6.777 3.277 2.330) 7.880 23.870 ( -8.765 -4.856 0.772) 10.050 23.870 ( -8.765 4.856 0.772) 10.050 25.369 ( 4.201 -0.557 -0.472) 4.264 25.369 ( 4.201 0.557 -0.472) 4.264 25.519 ( -2.542 -2.258 -1.277) 3.632 25.519 ( -2.542 2.258 -1.277) 3.632 ======================= Grid point 54 (24/72) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -4.539 -17.541 1.553) 18.186 1.793 ( 4.507 -17.539 1.553) 18.176 1.793 ( -4.507 17.539 1.553) 18.176 1.793 ( 4.539 17.541 1.553) 18.186 2.062 ( -8.895 -21.728 -1.611) 23.534 2.062 ( 8.883 -21.727 -1.611) 23.528 2.062 ( -8.883 21.727 -1.611) 23.528 2.062 ( 8.895 21.728 -1.611) 23.534 2.663 ( -5.084 -9.007 2.983) 10.764 2.663 ( 4.839 -8.973 2.983) 10.622 2.663 ( -4.839 8.973 2.983) 10.622 2.663 ( 5.084 9.007 2.983) 10.764 3.133 ( -4.295 -8.530 3.217) 10.078 3.133 ( 3.527 -8.441 3.217) 9.697 3.133 ( -3.527 8.441 3.217) 9.697 3.133 ( 4.295 8.530 3.217) 10.078 3.604 ( -3.149 -7.535 1.366) 8.280 3.604 ( 2.889 -7.509 1.366) 8.161 3.604 ( -2.889 7.509 1.366) 8.161 3.604 ( 3.149 7.535 1.366) 8.280 3.934 ( -1.324 -6.151 0.596) 6.320 3.934 ( 1.277 -6.149 0.596) 6.308 3.934 ( -1.277 6.149 0.596) 6.308 3.934 ( 1.324 6.151 0.596) 6.320 4.358 ( -4.779 -6.319 -1.438) 8.052 4.358 ( 4.774 -6.318 -1.438) 8.048 4.358 ( -4.774 6.318 -1.438) 8.048 4.358 ( 4.779 6.319 -1.438) 8.052 4.749 ( -3.060 -4.991 -0.957) 5.932 4.749 ( 1.662 -4.823 -0.957) 5.190 4.749 ( -1.662 4.823 -0.957) 5.190 4.749 ( 3.060 4.991 -0.957) 5.932 5.105 ( -5.117 -2.168 -0.867) 5.624 5.105 ( -2.763 -0.254 -0.867) 2.907 5.105 ( 2.763 0.254 -0.867) 2.907 5.105 ( 5.117 2.168 -0.867) 5.624 5.484 ( -5.064 -4.628 -3.877) 7.880 5.484 ( 4.968 -4.602 -3.877) 7.803 5.484 ( -4.968 4.602 -3.877) 7.803 5.484 ( 5.064 4.628 -3.877) 7.880 5.857 ( -2.777 -5.909 3.013) 7.191 5.857 ( 2.765 -5.908 3.013) 7.185 5.857 ( -2.765 5.908 3.013) 7.185 5.857 ( 2.777 5.909 3.013) 7.191 6.150 ( -3.062 -1.669 0.987) 3.624 6.150 ( -0.435 -0.698 0.987) 1.285 6.150 ( 0.435 0.698 0.987) 1.285 6.150 ( 3.062 1.669 0.987) 3.624 6.831 ( -7.175 -2.596 1.553) 7.787 6.831 ( -5.076 -0.561 1.553) 5.338 6.831 ( 5.076 0.561 1.553) 5.338 6.831 ( 7.175 2.596 1.553) 7.787 7.304 ( -7.307 -5.573 -0.300) 9.194 7.304 ( 3.734 -4.603 -0.300) 5.935 7.304 ( -3.734 4.603 -0.300) 5.935 7.304 ( 7.307 5.573 -0.300) 9.195 7.653 ( -8.842 -8.718 -1.000) 12.457 7.653 ( 5.327 -7.971 -1.000) 9.640 7.653 ( -5.327 7.971 -1.000) 9.640 7.653 ( 8.842 8.718 -1.000) 12.457 8.028 ( -5.670 -3.241 1.506) 6.702 8.028 ( 5.424 -3.134 1.506) 6.443 8.028 ( -5.424 3.134 1.506) 6.443 8.028 ( 5.670 3.241 1.506) 6.702 8.674 ( -0.619 -1.943 1.545) 2.559 8.674 ( -0.047 -1.919 1.545) 2.464 8.674 ( 0.047 1.919 1.545) 2.464 8.674 ( 0.619 1.943 1.545) 2.559 9.175 ( -6.193 -2.859 -3.226) 7.545 9.175 ( -3.390 -1.207 -3.226) 4.833 9.175 ( 3.390 1.207 -3.226) 4.833 9.175 ( 6.193 2.859 -3.226) 7.545 9.629 ( -2.588 -3.316 -3.888) 5.729 9.629 ( 1.915 -3.200 -3.888) 5.388 9.629 ( -1.915 3.200 -3.888) 5.388 9.629 ( 2.588 3.316 -3.888) 5.729 11.010 ( -5.045 -3.603 3.079) 6.922 11.010 ( 4.904 -3.554 3.079) 6.794 11.010 ( -4.904 3.554 3.079) 6.794 11.010 ( 5.045 3.603 3.079) 6.922 11.380 ( -8.980 -10.572 -1.806) 13.988 11.380 ( 8.859 -10.546 -1.806) 13.891 11.380 ( -8.859 10.546 -1.806) 13.891 11.380 ( 8.980 10.572 -1.806) 13.988 12.120 ( -5.668 -3.577 -3.184) 7.420 12.120 ( 1.060 -2.246 -3.184) 4.038 12.120 ( -1.060 2.246 -3.184) 4.038 12.120 ( 5.668 3.577 -3.184) 7.420 12.480 ( -2.447 -8.478 1.223) 8.908 12.480 ( 2.380 -8.473 1.223) 8.886 12.480 ( -2.380 8.473 1.223) 8.886 12.480 ( 2.447 8.478 1.223) 8.908 12.876 ( -1.483 -2.611 1.929) 3.569 12.876 ( 1.029 -2.556 1.929) 3.363 12.876 ( -1.029 2.556 1.929) 3.363 12.876 ( 1.483 2.611 1.929) 3.569 14.342 ( -7.024 -4.853 1.068) 8.604 14.342 ( 6.776 -4.764 1.068) 8.352 14.342 ( -6.776 4.764 1.068) 8.352 14.342 ( 7.024 4.853 1.068) 8.604 15.711 ( -2.549 -5.288 -9.735) 11.368 15.711 ( 2.549 -5.288 -9.735) 11.368 15.711 ( -2.549 5.288 -9.735) 11.368 15.711 ( 2.549 5.288 -9.735) 11.368 20.542 ( -5.717 -3.029 -2.592) 6.970 20.542 ( -2.612 -1.646 -2.592) 4.031 20.542 ( 2.612 1.646 -2.592) 4.031 20.542 ( 5.717 3.029 -2.592) 6.970 21.220 ( -1.777 -3.043 6.837) 7.691 21.220 ( 1.744 -3.038 6.837) 7.682 21.220 ( -1.744 3.038 6.837) 7.682 21.220 ( 1.777 3.043 6.837) 7.691 22.058 ( -3.235 -4.633 -2.292) 6.098 22.058 ( 3.180 -4.624 -2.292) 6.061 22.058 ( -3.180 4.624 -2.292) 6.061 22.058 ( 3.235 4.633 -2.292) 6.098 22.754 ( -3.938 -2.296 -5.332) 7.015 22.754 ( -0.460 -1.202 -5.332) 5.485 22.754 ( 0.460 1.202 -5.332) 5.485 22.754 ( 3.938 2.296 -5.332) 7.015 23.067 ( -1.978 -4.672 4.471) 6.763 23.067 ( 1.467 -4.625 4.471) 6.598 23.067 ( -1.467 4.625 4.471) 6.598 23.067 ( 1.978 4.672 4.471) 6.763 23.681 ( -10.516 -3.136 2.046) 11.163 23.681 ( -9.128 1.738 2.046) 9.515 23.681 ( 9.128 -1.738 2.046) 9.515 23.681 ( 10.516 3.136 2.046) 11.163 25.453 ( -4.452 -1.746 -0.999) 4.885 25.453 ( -3.578 1.138 -0.999) 3.885 25.453 ( 3.578 -1.138 -0.999) 3.885 25.453 ( 4.452 1.746 -0.999) 4.885 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 0.000 25.164) 25.164 1.330 ( 0.000 0.000 31.658) 31.658 1.783 ( 0.000 0.000 39.343) 39.343 1.960 ( 0.000 0.000 7.734) 7.734 2.038 ( 0.000 0.000 3.265) 3.265 2.189 ( 0.000 0.000 7.876) 7.876 2.393 ( 0.000 0.000 12.575) 12.575 2.427 ( 0.000 0.000 -4.169) 4.169 2.495 ( 0.000 0.000 -13.977) 13.977 2.712 ( 0.000 0.000 4.774) 4.774 2.748 ( 0.000 0.000 -10.539) 10.539 2.792 ( 0.000 0.000 22.567) 22.567 3.094 ( 0.000 0.000 -5.232) 5.232 3.109 ( 0.000 0.000 -7.747) 7.747 3.196 ( 0.000 0.000 -5.356) 5.356 3.388 ( 0.000 0.000 -9.097) 9.097 3.422 ( 0.000 0.000 -0.576) 0.576 3.514 ( 0.000 0.000 -6.666) 6.666 3.531 ( 0.000 0.000 16.367) 16.367 3.611 ( 0.000 0.000 -0.627) 0.627 3.758 ( 0.000 0.000 -10.399) 10.399 3.893 ( 0.000 0.000 5.969) 5.969 3.960 ( 0.000 0.000 3.308) 3.308 4.041 ( 0.000 0.000 0.707) 0.707 4.238 ( 0.000 0.000 -21.827) 21.827 4.267 ( 0.000 0.000 -8.675) 8.675 4.348 ( 0.000 0.000 5.005) 5.005 4.481 ( 0.000 0.000 -13.960) 13.960 4.487 ( 0.000 0.000 -9.092) 9.092 4.596 ( 0.000 0.000 -1.390) 1.390 4.626 ( 0.000 0.000 1.826) 1.826 4.635 ( 0.000 0.000 -4.151) 4.151 5.000 ( 0.000 0.000 -5.308) 5.308 5.116 ( 0.000 0.000 -6.279) 6.279 5.261 ( 0.000 0.000 -0.857) 0.857 5.313 ( 0.000 0.000 -1.533) 1.533 5.326 ( 0.000 0.000 3.413) 3.413 5.477 ( 0.000 0.000 8.148) 8.148 5.599 ( 0.000 0.000 0.246) 0.246 5.651 ( 0.000 0.000 2.229) 2.229 5.905 ( 0.000 0.000 3.510) 3.510 5.931 ( 0.000 0.000 -4.321) 4.321 6.042 ( 0.000 0.000 -0.665) 0.665 6.172 ( 0.000 0.000 2.727) 2.727 6.226 ( 0.000 0.000 9.914) 9.914 6.256 ( 0.000 0.000 -1.345) 1.345 6.318 ( 0.000 0.000 0.721) 0.721 6.354 ( 0.000 0.000 -0.550) 0.550 6.410 ( 0.000 0.000 6.223) 6.223 6.451 ( 0.000 0.000 -4.041) 4.041 6.688 ( 0.000 0.000 -6.236) 6.236 6.772 ( 0.000 0.000 2.773) 2.773 6.822 ( 0.000 0.000 1.318) 1.318 6.942 ( 0.000 0.000 -2.520) 2.520 7.311 ( 0.000 0.000 6.599) 6.599 7.394 ( 0.000 0.000 -3.027) 3.027 7.679 ( 0.000 0.000 0.113) 0.113 7.707 ( 0.000 0.000 4.038) 4.038 7.838 ( 0.000 0.000 -0.232) 0.232 8.021 ( 0.000 0.000 1.817) 1.817 8.163 ( 0.000 0.000 2.812) 2.812 8.301 ( 0.000 0.000 -7.806) 7.806 8.450 ( 0.000 0.000 -0.565) 0.565 8.468 ( 0.000 0.000 -2.386) 2.386 8.514 ( 0.000 0.000 4.328) 4.328 8.556 ( 0.000 0.000 -1.305) 1.305 8.747 ( 0.000 0.000 -0.227) 0.227 8.816 ( 0.000 0.000 4.387) 4.387 8.852 ( 0.000 0.000 -2.253) 2.253 8.990 ( 0.000 0.000 0.667) 0.667 9.106 ( 0.000 0.000 -17.725) 17.725 9.123 ( 0.000 0.000 -0.251) 0.251 9.379 ( 0.000 0.000 0.512) 0.512 9.440 ( 0.000 0.000 -10.883) 10.883 9.720 ( 0.000 0.000 -5.933) 5.933 9.731 ( 0.000 0.000 -4.215) 4.215 10.857 ( 0.000 0.000 9.411) 9.411 11.001 ( 0.000 0.000 1.098) 1.098 11.085 ( 0.000 0.000 0.792) 0.792 11.229 ( 0.000 0.000 5.448) 5.448 11.389 ( 0.000 0.000 2.859) 2.859 11.438 ( 0.000 0.000 1.931) 1.931 11.491 ( 0.000 0.000 0.643) 0.643 11.538 ( 0.000 0.000 1.628) 1.628 11.563 ( 0.000 0.000 2.004) 2.004 11.760 ( 0.000 0.000 -3.972) 3.972 11.887 ( 0.000 0.000 6.397) 6.397 12.033 ( 0.000 0.000 0.746) 0.746 12.067 ( 0.000 0.000 1.460) 1.460 12.249 ( 0.000 0.000 -0.229) 0.229 12.510 ( 0.000 0.000 2.246) 2.246 12.596 ( 0.000 0.000 -15.062) 15.062 12.863 ( 0.000 0.000 5.880) 5.880 12.896 ( 0.000 0.000 5.940) 5.940 12.942 ( 0.000 0.000 -0.685) 0.685 13.018 ( 0.000 0.000 0.174) 0.174 14.332 ( 0.000 0.000 -4.921) 4.921 14.468 ( 0.000 0.000 7.127) 7.127 14.876 ( 0.000 0.000 0.120) 0.120 14.877 ( 0.000 0.000 -4.196) 4.196 15.091 ( 0.000 0.000 -9.925) 9.925 15.151 ( 0.000 0.000 -8.116) 8.116 15.385 ( 0.000 0.000 -26.185) 26.185 15.511 ( 0.000 0.000 -4.661) 4.661 20.323 ( 0.000 0.000 -0.337) 0.337 20.424 ( 0.000 0.000 -0.145) 0.145 20.561 ( 0.000 0.000 -2.751) 2.751 20.913 ( 0.000 0.000 -12.421) 12.421 21.192 ( 0.000 0.000 5.741) 5.741 21.489 ( 0.000 0.000 1.422) 1.422 21.664 ( 0.000 0.000 0.522) 0.522 21.689 ( 0.000 0.000 2.265) 2.265 21.709 ( 0.000 0.000 2.608) 2.608 21.763 ( 0.000 0.000 -2.702) 2.702 21.887 ( 0.000 0.000 -0.167) 0.167 22.120 ( 0.000 0.000 -1.902) 1.902 22.147 ( 0.000 0.000 0.870) 0.870 22.494 ( 0.000 0.000 -4.517) 4.517 22.654 ( 0.000 0.000 -5.449) 5.449 22.688 ( 0.000 0.000 -4.183) 4.183 22.935 ( 0.000 0.000 5.162) 5.162 23.065 ( 0.000 0.000 4.186) 4.186 23.290 ( 0.000 0.000 -1.537) 1.537 23.432 ( 0.000 0.000 15.344) 15.344 23.519 ( 0.000 0.000 9.057) 9.057 23.662 ( 0.000 0.000 -7.159) 7.159 23.778 ( 0.000 0.000 6.388) 6.388 24.588 ( 0.000 0.000 -5.603) 5.603 25.311 ( 0.000 0.000 1.387) 1.387 25.337 ( 0.000 0.000 -0.811) 0.811 25.440 ( 0.000 0.000 -1.349) 1.349 25.608 ( 0.000 0.000 -2.670) 2.670 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 7.368 0.000 22.257) 23.444 1.402 ( 7.625 0.000 27.679) 28.710 1.664 ( -17.154 0.000 12.696) 21.341 1.847 ( -14.158 0.000 10.431) 17.586 2.038 ( 16.129 0.000 32.382) 36.176 2.291 ( 4.811 0.000 1.456) 5.027 2.391 ( -2.897 0.000 -3.063) 4.216 2.528 ( 4.056 0.000 -11.186) 11.899 2.590 ( 16.039 0.000 12.828) 20.538 2.691 ( -11.216 0.000 22.405) 25.056 2.700 ( -2.588 0.000 2.735) 3.765 2.802 ( 5.946 0.000 -10.398) 11.978 3.040 ( -6.010 0.000 -7.493) 9.605 3.095 ( -3.310 0.000 1.989) 3.861 3.193 ( 1.834 0.000 -4.829) 5.166 3.321 ( -11.560 0.000 9.122) 14.725 3.357 ( -4.519 0.000 -7.153) 8.461 3.359 ( -7.426 0.000 -1.684) 7.615 3.567 ( 5.826 0.000 -5.537) 8.037 3.651 ( 2.540 0.000 -1.869) 3.154 3.827 ( 6.079 0.000 -10.162) 11.842 3.963 ( 0.539 0.000 3.246) 3.290 3.999 ( 3.066 0.000 -2.580) 4.008 4.025 ( -1.733 0.000 1.572) 2.340 4.227 ( 1.196 0.000 -7.439) 7.535 4.281 ( 1.511 0.000 -19.422) 19.480 4.355 ( 1.031 0.000 3.995) 4.126 4.475 ( 1.503 0.000 -11.607) 11.704 4.483 ( -6.037 0.000 1.049) 6.127 4.584 ( 1.823 0.000 -1.005) 2.082 4.646 ( 6.146 0.000 -10.751) 12.384 4.756 ( 7.900 0.000 -0.384) 7.910 4.975 ( -2.915 0.000 -3.892) 4.863 5.024 ( -8.914 0.000 -7.333) 11.542 5.260 ( 0.137 0.000 -1.560) 1.566 5.300 ( -1.282 0.000 -1.927) 2.315 5.328 ( -0.208 0.000 3.284) 3.291 5.408 ( -4.939 0.000 5.479) 7.377 5.643 ( 3.360 0.000 2.589) 4.242 5.660 ( 1.116 0.000 2.472) 2.712 5.837 ( -5.415 0.000 3.045) 6.212 5.873 ( -5.329 0.000 1.339) 5.495 6.075 ( 4.506 0.000 -1.864) 4.876 6.178 ( 0.588 0.000 2.092) 2.173 6.221 ( -2.030 0.000 -0.963) 2.246 6.237 ( 0.078 0.000 5.714) 5.714 6.311 ( -0.169 0.000 3.443) 3.447 6.412 ( -2.657 0.000 4.807) 5.493 6.444 ( 7.624 0.000 -0.199) 7.627 6.470 ( 2.465 0.000 0.809) 2.594 6.588 ( -5.567 0.000 -2.981) 6.314 6.723 ( -5.230 0.000 2.199) 5.674 7.051 ( 18.066 0.000 -2.845) 18.289 7.082 ( 14.805 0.000 -1.982) 14.937 7.322 ( 1.045 0.000 5.662) 5.757 7.381 ( -1.519 0.000 -0.953) 1.793 7.579 ( -10.102 0.000 1.268) 10.181 7.709 ( 1.049 0.000 3.171) 3.340 7.818 ( -2.330 0.000 0.007) 2.330 7.821 ( -16.643 0.000 2.372) 16.811 8.164 ( 0.326 0.000 1.837) 1.866 8.241 ( -11.765 0.000 1.527) 11.864 8.252 ( -4.174 0.000 -4.843) 6.394 8.300 ( -11.598 0.000 1.953) 11.762 8.586 ( 2.439 0.000 -4.296) 4.940 8.676 ( 10.162 0.000 4.032) 10.933 8.735 ( -2.796 0.000 -2.247) 3.587 8.869 ( 3.279 0.000 4.541) 5.601 8.930 ( 6.899 0.000 -5.906) 9.082 9.099 ( -1.105 0.000 -16.280) 16.317 9.114 ( 7.604 0.000 -0.844) 7.650 9.235 ( 6.673 0.000 -1.671) 6.879 9.348 ( -0.209 0.000 -1.093) 1.112 9.496 ( 0.916 0.000 -7.370) 7.427 9.692 ( 0.783 0.000 -8.276) 8.313 9.760 ( 1.108 0.000 -6.545) 6.638 10.864 ( 1.222 0.000 7.145) 7.249 10.990 ( -2.987 0.000 1.401) 3.299 11.088 ( 2.279 0.000 2.486) 3.372 11.215 ( -1.906 0.000 4.547) 4.930 11.404 ( 1.822 0.000 3.451) 3.902 11.476 ( -0.003 0.000 3.019) 3.019 11.530 ( 0.626 0.000 1.337) 1.476 11.569 ( 3.578 0.000 -2.128) 4.163 11.577 ( 1.622 0.000 1.906) 2.503 11.702 ( -4.767 0.000 -1.672) 5.051 11.907 ( 9.240 0.000 -2.415) 9.551 12.093 ( 5.033 0.000 -0.011) 5.033 12.168 ( 7.344 0.000 0.653) 7.373 12.232 ( -1.898 0.000 -0.161) 1.904 12.475 ( -3.683 0.000 2.505) 4.454 12.518 ( -8.125 0.000 -14.511) 16.631 12.867 ( 0.374 0.000 5.779) 5.791 12.888 ( -0.661 0.000 5.548) 5.588 12.959 ( 1.584 0.000 -0.291) 1.610 13.011 ( -0.793 0.000 0.048) 0.795 14.384 ( 5.560 0.000 -4.845) 7.374 14.498 ( 3.408 0.000 7.011) 7.795 14.728 ( -11.336 0.000 -3.149) 11.766 14.749 ( -9.645 0.000 2.196) 9.892 15.219 ( 9.354 0.000 -6.666) 11.486 15.254 ( 7.033 0.000 -15.639) 17.148 15.380 ( -0.679 0.000 -25.094) 25.103 15.476 ( -3.801 0.000 -4.816) 6.135 20.383 ( 4.805 0.000 -1.593) 5.062 20.437 ( 1.027 0.000 -0.271) 1.062 20.596 ( 4.370 0.000 -5.177) 6.775 20.859 ( -5.757 0.000 -11.999) 13.309 21.216 ( 2.805 0.000 5.348) 6.039 21.421 ( -6.511 0.000 3.417) 7.354 21.682 ( 2.850 0.000 -1.850) 3.398 21.691 ( 0.231 0.000 2.306) 2.318 21.705 ( -0.376 0.000 2.546) 2.574 21.784 ( 0.336 0.000 -2.935) 2.954 21.901 ( 1.528 0.000 -0.203) 1.542 22.020 ( -5.152 0.000 -0.452) 5.172 22.277 ( 8.417 0.000 -0.925) 8.468 22.515 ( 2.441 0.000 -3.595) 4.345 22.584 ( -6.834 0.000 -4.090) 7.965 22.653 ( -3.437 0.000 -3.109) 4.634 22.955 ( 2.004 0.000 4.460) 4.890 23.045 ( -2.033 0.000 4.064) 4.544 23.362 ( 6.855 0.000 -3.001) 7.483 23.448 ( 1.547 0.000 14.142) 14.226 23.508 ( -1.195 0.000 9.924) 9.996 23.618 ( -4.661 0.000 -6.653) 8.124 23.839 ( 6.890 0.000 7.860) 10.452 24.363 ( -19.074 0.000 4.009) 19.491 25.349 ( 1.697 0.000 -1.041) 1.991 25.392 ( 3.670 0.000 -1.940) 4.151 25.442 ( 1.825 0.000 -1.411) 2.307 25.586 ( -2.340 0.000 -2.729) 3.595 ======================= Grid point 72 (27/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -17.008 0.000 14.925) 22.628 1.330 ( 17.008 0.000 14.925) 22.628 1.594 ( -12.838 0.000 19.000) 22.931 1.594 ( 12.838 0.000 19.000) 22.931 2.345 ( -2.147 0.000 -2.153) 3.040 2.345 ( 2.147 0.000 -2.153) 3.040 2.395 ( -19.973 0.000 27.511) 33.997 2.395 ( 19.973 0.000 27.511) 33.997 2.625 ( -5.400 0.000 -4.271) 6.885 2.625 ( 5.400 0.000 -4.271) 6.885 2.891 ( -16.097 0.000 16.445) 23.012 2.891 ( 16.097 0.000 16.445) 23.012 2.920 ( -6.590 0.000 -8.469) 10.731 2.920 ( 6.590 0.000 -8.469) 10.731 3.259 ( -3.329 0.000 -4.928) 5.947 3.259 ( 3.329 0.000 -4.928) 5.947 3.260 ( -5.110 0.000 -5.767) 7.706 3.260 ( 5.110 0.000 -5.767) 7.706 3.656 ( -2.608 0.000 -3.573) 4.423 3.656 ( 2.608 0.000 -3.573) 4.423 3.945 ( -6.199 0.000 -9.399) 11.259 3.945 ( 6.199 0.000 -9.399) 11.259 3.987 ( -1.998 0.000 2.867) 3.495 3.987 ( 1.998 0.000 2.867) 3.495 4.280 ( -2.250 0.000 -12.897) 13.092 4.280 ( 2.250 0.000 -12.897) 13.092 4.395 ( -3.500 0.000 2.340) 4.210 4.395 ( 3.500 0.000 2.340) 4.210 4.537 ( -4.323 0.000 -4.263) 6.071 4.537 ( 4.323 0.000 -4.263) 6.071 4.832 ( -11.178 0.000 -9.182) 14.466 4.832 ( 11.178 0.000 -9.182) 14.466 4.889 ( -6.326 0.000 -1.606) 6.527 4.889 ( 6.326 0.000 -1.606) 6.527 5.274 ( -1.318 0.000 -2.317) 2.665 5.274 ( 1.318 0.000 -2.317) 2.665 5.339 ( -2.249 0.000 3.661) 4.296 5.339 ( 2.249 0.000 3.661) 4.296 5.684 ( -0.286 0.000 2.490) 2.506 5.684 ( 0.286 0.000 2.490) 2.506 5.790 ( -1.938 0.000 4.273) 4.693 5.790 ( 1.938 0.000 4.273) 4.693 6.177 ( -5.739 0.000 -0.703) 5.781 6.177 ( 5.739 0.000 -0.703) 5.781 6.193 ( -1.139 0.000 0.428) 1.217 6.193 ( 1.139 0.000 0.428) 1.217 6.347 ( -3.660 0.000 6.824) 7.744 6.347 ( 3.660 0.000 6.824) 7.744 6.516 ( -2.876 0.000 -0.467) 2.913 6.516 ( 2.876 0.000 -0.467) 2.913 6.595 ( -8.270 0.000 0.868) 8.315 6.595 ( 8.270 0.000 0.868) 8.315 7.327 ( -12.873 0.000 -0.885) 12.903 7.327 ( 12.873 0.000 -0.885) 12.903 7.347 ( -1.752 0.000 3.111) 3.570 7.347 ( 1.752 0.000 3.111) 3.570 7.478 ( -19.531 0.000 -0.434) 19.536 7.478 ( 19.531 0.000 -0.434) 19.536 7.757 ( -3.752 0.000 1.034) 3.892 7.757 ( 3.752 0.000 1.034) 3.892 8.152 ( -2.685 0.000 2.584) 3.727 8.152 ( 2.685 0.000 2.584) 3.727 8.187 ( -2.430 0.000 -0.711) 2.532 8.187 ( 2.430 0.000 -0.711) 2.532 8.650 ( -4.357 0.000 -3.897) 5.846 8.650 ( 4.357 0.000 -3.897) 5.846 8.845 ( -6.149 0.000 3.934) 7.300 8.845 ( 6.149 0.000 3.934) 7.300 9.047 ( -4.925 0.000 -11.898) 12.877 9.047 ( 4.925 0.000 -11.898) 12.877 9.236 ( -4.742 0.000 2.162) 5.212 9.236 ( 4.742 0.000 2.162) 5.212 9.421 ( -6.291 0.000 -6.012) 8.701 9.421 ( 6.291 0.000 -6.012) 8.701 9.748 ( -2.716 0.000 -8.860) 9.267 9.748 ( 2.716 0.000 -8.860) 9.267 10.914 ( -4.094 0.000 3.574) 5.434 10.914 ( 4.094 0.000 3.574) 5.434 11.156 ( -4.141 0.000 3.650) 5.520 11.156 ( 4.141 0.000 3.650) 5.520 11.449 ( -2.586 0.000 3.161) 4.084 11.449 ( 2.586 0.000 3.161) 4.084 11.553 ( -2.259 0.000 2.034) 3.040 11.553 ( 2.259 0.000 2.034) 3.040 11.623 ( -3.488 0.000 0.899) 3.602 11.623 ( 3.488 0.000 0.899) 3.602 12.177 ( -12.124 0.000 -13.050) 17.813 12.177 ( 12.124 0.000 -13.050) 17.813 12.179 ( -3.926 0.000 -0.143) 3.929 12.179 ( 3.926 0.000 -0.143) 3.929 12.405 ( -1.819 0.000 -0.172) 1.827 12.405 ( 1.819 0.000 -0.172) 1.827 12.876 ( -0.611 0.000 5.585) 5.618 12.876 ( 0.611 0.000 5.585) 5.618 12.989 ( -1.533 0.000 -0.151) 1.541 12.989 ( 1.533 0.000 -0.151) 1.541 14.528 ( -9.893 0.000 -4.435) 10.842 14.528 ( 9.893 0.000 -4.435) 10.842 14.593 ( -6.971 0.000 6.090) 9.257 14.593 ( 6.971 0.000 6.090) 9.257 15.348 ( -3.172 0.000 -21.878) 22.106 15.348 ( 3.172 0.000 -21.878) 22.106 15.374 ( -7.220 0.000 -5.347) 8.984 15.374 ( 7.220 0.000 -5.347) 8.984 20.440 ( -1.193 0.000 -0.833) 1.455 20.440 ( 1.193 0.000 -0.833) 1.455 20.722 ( -8.359 0.000 -10.056) 13.077 20.722 ( 8.359 0.000 -10.056) 13.077 21.298 ( -6.096 0.000 4.578) 7.623 21.298 ( 6.096 0.000 4.578) 7.623 21.697 ( -0.427 0.000 2.416) 2.453 21.697 ( 0.427 0.000 2.416) 2.453 21.750 ( -3.641 0.000 -3.127) 4.799 21.750 ( 3.641 0.000 -3.127) 4.799 21.944 ( -3.238 0.000 -0.293) 3.251 21.944 ( 3.238 0.000 -0.293) 3.251 22.436 ( -8.775 0.000 -2.173) 9.040 22.436 ( 8.775 0.000 -2.173) 9.040 22.579 ( -4.219 0.000 -2.487) 4.897 22.579 ( 4.219 0.000 -2.487) 4.897 23.000 ( -2.698 0.000 3.961) 4.793 23.000 ( 2.698 0.000 3.961) 4.793 23.480 ( -1.773 0.000 11.837) 11.969 23.480 ( 1.773 0.000 11.837) 11.969 23.502 ( -7.617 0.000 -5.187) 9.215 23.502 ( 7.617 0.000 -5.187) 9.215 24.037 ( -14.878 0.000 9.489) 17.646 24.037 ( 14.878 0.000 9.489) 17.646 25.384 ( -1.915 0.000 -1.326) 2.329 25.384 ( 1.915 0.000 -1.326) 2.329 25.523 ( -4.491 0.000 -2.826) 5.306 25.523 ( 4.491 0.000 -2.826) 5.306 ======================= Grid point 75 (28/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 9.712 20.609) 22.783 1.189 ( 0.000 -3.796 25.456) 25.737 1.969 ( 0.000 2.644 13.202) 13.464 1.997 ( 0.000 3.923 5.208) 6.521 2.122 ( 0.000 11.855 16.812) 20.572 2.149 ( 0.000 -4.045 8.537) 9.447 2.388 ( 0.000 -5.735 -9.706) 11.274 2.505 ( 0.000 12.738 17.010) 21.250 2.534 ( 0.000 4.122 -5.541) 6.906 2.536 ( 0.000 -14.501 2.306) 14.683 2.757 ( 0.000 1.397 -6.476) 6.625 2.844 ( 0.000 3.444 18.233) 18.556 3.051 ( 0.000 -2.797 -4.617) 5.398 3.073 ( 0.000 -9.584 -6.137) 11.381 3.219 ( 0.000 5.642 -6.207) 8.388 3.358 ( 0.000 -1.532 -4.906) 5.140 3.448 ( 0.000 -1.138 -3.433) 3.617 3.450 ( 0.000 -3.797 1.243) 3.995 3.527 ( 0.000 5.119 0.101) 5.120 3.621 ( 0.000 -1.564 1.514) 2.177 3.832 ( 0.000 5.898 0.981) 5.979 3.888 ( 0.000 0.889 2.460) 2.616 3.989 ( 0.000 3.451 1.295) 3.686 4.110 ( 0.000 5.000 1.866) 5.337 4.237 ( 0.000 -3.473 -9.166) 9.802 4.268 ( 0.000 1.329 -8.604) 8.706 4.384 ( 0.000 -6.688 -1.024) 6.766 4.384 ( 0.000 2.431 -2.120) 3.226 4.514 ( 0.000 3.492 -11.736) 12.245 4.572 ( 0.000 -0.103 -11.124) 11.124 4.639 ( 0.000 1.615 1.422) 2.152 4.705 ( 0.000 2.643 -4.051) 4.837 4.999 ( 0.000 0.424 -3.251) 3.279 5.121 ( 0.000 -0.731 -6.326) 6.368 5.209 ( 0.000 -4.258 -0.489) 4.286 5.234 ( 0.000 -3.536 -2.149) 4.138 5.390 ( 0.000 4.040 3.848) 5.579 5.452 ( 0.000 -1.781 7.936) 8.134 5.653 ( 0.000 0.804 6.023) 6.076 5.686 ( 0.000 -14.278 2.941) 14.578 5.721 ( 0.000 3.356 -3.913) 5.155 5.932 ( 0.000 0.184 -4.375) 4.379 5.954 ( 0.000 -0.817 -5.036) 5.102 6.149 ( 0.000 -3.573 5.074) 6.206 6.243 ( 0.000 0.435 2.547) 2.584 6.320 ( 0.000 -1.624 4.057) 4.370 6.349 ( 0.000 -2.621 0.273) 2.635 6.423 ( 0.000 0.245 -0.436) 0.500 6.446 ( 0.000 8.609 3.346) 9.237 6.558 ( 0.000 11.170 -3.279) 11.642 6.593 ( 0.000 -2.641 -1.975) 3.297 6.814 ( 0.000 2.311 3.358) 4.076 6.850 ( 0.000 3.456 1.689) 3.847 6.949 ( 0.000 1.573 -1.511) 2.181 7.318 ( 0.000 0.438 7.178) 7.191 7.400 ( 0.000 0.198 -2.092) 2.101 7.715 ( 0.000 3.514 0.039) 3.515 7.722 ( 0.000 1.564 3.364) 3.710 7.846 ( 0.000 0.036 -0.572) 0.573 7.928 ( 0.000 -9.180 6.244) 11.102 8.118 ( 0.000 -4.654 0.776) 4.718 8.228 ( 0.000 -4.028 -3.060) 5.059 8.349 ( 0.000 -10.018 -3.404) 10.581 8.519 ( 0.000 4.242 -0.979) 4.353 8.522 ( 0.000 -3.080 -2.117) 3.738 8.538 ( 0.000 2.408 3.144) 3.960 8.731 ( 0.000 -4.833 4.562) 6.646 8.766 ( 0.000 1.778 -0.565) 1.865 8.823 ( 0.000 -2.338 0.138) 2.342 8.879 ( 0.000 -3.168 -0.349) 3.187 9.150 ( 0.000 2.411 -0.640) 2.494 9.246 ( 0.000 5.729 -13.107) 14.304 9.394 ( 0.000 1.166 -1.417) 1.835 9.417 ( 0.000 -2.011 -10.447) 10.639 9.644 ( 0.000 -4.819 -4.393) 6.521 9.702 ( 0.000 -2.343 -4.019) 4.652 10.892 ( 0.000 3.054 8.093) 8.650 11.042 ( 0.000 3.371 1.233) 3.589 11.046 ( 0.000 -5.614 5.864) 8.118 11.235 ( 0.000 -1.134 4.847) 4.978 11.341 ( 0.000 2.797 -3.556) 4.524 11.389 ( 0.000 -2.334 0.112) 2.337 11.449 ( 0.000 -3.378 0.005) 3.378 11.504 ( 0.000 0.423 0.460) 0.625 11.753 ( 0.000 1.087 -0.307) 1.130 11.863 ( 0.000 13.301 -2.923) 13.618 11.965 ( 0.000 4.490 3.454) 5.665 11.990 ( 0.000 0.713 0.956) 1.193 12.237 ( 0.000 7.880 -8.784) 11.800 12.274 ( 0.000 3.261 0.371) 3.282 12.521 ( 0.000 0.715 1.241) 1.432 12.653 ( 0.000 6.432 -7.362) 9.776 12.884 ( 0.000 0.346 5.386) 5.397 12.904 ( 0.000 -3.133 0.425) 3.161 12.915 ( 0.000 2.905 6.550) 7.166 12.985 ( 0.000 -2.805 0.284) 2.820 14.294 ( 0.000 -3.436 -4.317) 5.517 14.409 ( 0.000 -5.345 6.583) 8.479 14.644 ( 0.000 -11.800 2.987) 12.172 14.806 ( 0.000 -5.969 -0.476) 5.988 15.202 ( 0.000 4.406 -8.862) 9.897 15.301 ( 0.000 10.037 -16.624) 19.419 15.413 ( 0.000 2.436 -24.165) 24.288 15.539 ( 0.000 1.977 -7.067) 7.339 20.329 ( 0.000 0.566 -0.541) 0.783 20.412 ( 0.000 -1.076 -0.296) 1.116 20.558 ( 0.000 -0.181 -2.942) 2.947 20.829 ( 0.000 -7.046 -9.252) 11.629 21.206 ( 0.000 1.427 5.938) 6.107 21.441 ( 0.000 -2.959 4.090) 5.048 21.577 ( 0.000 -8.176 6.857) 10.671 21.578 ( 0.000 -5.700 4.187) 7.072 21.776 ( 0.000 3.971 0.102) 3.972 21.821 ( 0.000 7.897 -1.369) 8.015 21.966 ( 0.000 4.905 -2.862) 5.678 22.111 ( 0.000 -0.865 -1.729) 1.933 22.293 ( 0.000 8.764 -6.488) 10.904 22.540 ( 0.000 4.290 -5.258) 6.786 22.646 ( 0.000 -1.029 -3.530) 3.677 22.695 ( 0.000 0.697 -6.976) 7.011 22.973 ( 0.000 3.578 4.851) 6.028 23.080 ( 0.000 1.372 4.720) 4.915 23.276 ( 0.000 -1.427 1.746) 2.255 23.429 ( 0.000 -0.008 11.495) 11.495 23.461 ( 0.000 -4.993 6.954) 8.560 23.676 ( 0.000 -0.373 -1.879) 1.916 23.754 ( 0.000 -0.790 2.766) 2.877 24.437 ( 0.000 -12.613 -1.710) 12.728 25.314 ( 0.000 0.246 1.212) 1.237 25.333 ( 0.000 -0.256 -0.667) 0.715 25.448 ( 0.000 0.729 -1.486) 1.656 25.591 ( 0.000 -1.522 -2.558) 2.977 ======================= Grid point 76 (29/72) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 7.606 7.580 16.845) 19.977 1.347 ( 12.528 0.284 23.368) 26.516 1.741 ( -17.710 6.113 8.082) 20.404 1.851 ( -12.782 0.802 11.141) 16.974 2.177 ( 5.608 2.008 13.016) 14.315 2.272 ( 4.519 1.126 6.361) 7.884 2.379 ( 2.039 -0.945 1.733) 2.838 2.544 ( 1.859 2.562 -3.130) 4.452 2.586 ( 3.832 -10.128 -0.366) 10.835 2.661 ( 12.829 7.498 14.095) 20.481 2.745 ( -1.179 0.474 -5.717) 5.857 2.784 ( -5.115 3.182 15.028) 16.191 2.937 ( -7.713 -9.200 -7.419) 14.113 3.136 ( 3.286 1.004 -2.376) 4.178 3.212 ( -11.778 -0.174 6.216) 13.318 3.257 ( 1.780 2.646 -7.258) 7.928 3.413 ( -4.665 1.730 1.066) 5.088 3.453 ( -4.363 7.209 -2.458) 8.778 3.530 ( 3.433 -1.894 -0.942) 4.033 3.595 ( 0.851 -3.836 -1.443) 4.185 3.834 ( 3.505 0.759 -4.223) 5.540 3.967 ( 0.122 1.393 0.985) 1.710 4.007 ( 2.411 2.065 0.326) 3.191 4.105 ( -1.184 4.321 -1.815) 4.834 4.205 ( -0.362 -3.516 -6.227) 7.160 4.261 ( -0.940 -0.936 -6.177) 6.318 4.406 ( 1.574 3.006 -7.587) 8.311 4.425 ( 4.953 -2.091 0.324) 5.386 4.504 ( -3.381 0.309 -9.213) 9.819 4.593 ( 1.941 1.998 -2.607) 3.815 4.679 ( 4.536 2.580 -8.726) 10.168 4.766 ( 6.884 0.915 -0.953) 7.010 4.981 ( -2.443 0.542 -2.515) 3.548 5.036 ( -8.532 0.776 -7.270) 11.236 5.203 ( 0.176 -4.616 -1.288) 4.796 5.236 ( -0.210 -3.210 -2.309) 3.960 5.388 ( -0.114 3.516 3.099) 4.688 5.446 ( -1.672 1.314 6.418) 6.761 5.618 ( -1.695 -3.349 3.843) 5.372 5.681 ( -2.269 -10.402 2.557) 10.949 5.715 ( 0.885 2.025 -0.373) 2.241 5.850 ( -6.145 0.320 -0.310) 6.161 5.977 ( 2.543 -2.521 -3.782) 5.209 6.160 ( -4.669 -0.997 1.385) 4.971 6.182 ( 3.419 -4.394 3.190) 6.417 6.311 ( -0.042 -1.126 4.198) 4.347 6.326 ( -2.253 -4.031 0.854) 4.696 6.432 ( -4.884 -1.292 3.286) 6.027 6.502 ( 3.651 2.855 -0.162) 4.638 6.572 ( -0.262 10.487 -0.923) 10.531 6.591 ( 4.494 10.274 1.164) 11.274 6.789 ( -3.867 4.949 3.360) 7.123 7.040 ( 18.060 -0.410 -2.869) 18.291 7.073 ( 13.004 -0.551 -0.879) 13.045 7.330 ( 1.140 0.317 6.390) 6.499 7.390 ( -0.950 0.769 -0.032) 1.222 7.609 ( -10.116 2.832 1.366) 10.593 7.718 ( -1.496 0.068 1.440) 2.078 7.774 ( -10.488 -3.038 4.456) 11.793 7.838 ( -3.092 0.577 -0.329) 3.163 8.113 ( -1.952 -4.903 -0.178) 5.280 8.165 ( -5.803 -4.613 -2.658) 7.876 8.203 ( -7.513 -4.579 1.162) 8.875 8.334 ( -9.580 0.880 0.890) 9.661 8.589 ( 2.976 0.473 -4.154) 5.132 8.664 ( 8.768 -0.610 4.059) 9.682 8.739 ( -2.490 0.237 -1.234) 2.789 8.811 ( 2.097 -3.967 2.714) 5.244 8.942 ( 8.376 0.062 -2.436) 8.723 8.987 ( 10.945 -4.522 -3.370) 12.312 9.203 ( 0.854 3.123 -6.066) 6.876 9.226 ( 0.656 -0.320 -4.853) 4.907 9.375 ( -0.068 2.295 -2.452) 3.360 9.473 ( 1.717 -1.901 -8.268) 8.656 9.623 ( -0.087 -4.721 -6.707) 8.202 9.705 ( -0.183 -3.637 -5.222) 6.366 10.911 ( 2.454 4.040 6.226) 7.817 11.052 ( 0.223 -2.325 4.849) 5.382 11.070 ( 1.667 3.407 1.674) 4.146 11.174 ( -6.026 0.430 3.791) 7.132 11.281 ( -0.107 -6.863 1.587) 7.045 11.386 ( -2.177 -7.747 2.088) 8.314 11.471 ( -0.016 -2.622 -1.746) 3.150 11.527 ( 0.110 3.932 -1.306) 4.144 11.799 ( 4.302 5.419 -0.478) 6.936 11.880 ( -1.335 11.504 0.016) 11.581 11.936 ( 6.000 3.416 -3.379) 7.687 12.096 ( 5.866 -0.197 0.951) 5.945 12.252 ( -1.307 3.949 -5.267) 6.711 12.260 ( 0.911 4.156 -3.402) 5.447 12.506 ( -1.350 2.665 1.188) 3.215 12.593 ( -5.710 7.349 -6.687) 11.460 12.889 ( 0.466 1.028 5.053) 5.178 12.902 ( -0.165 0.632 3.771) 3.827 12.929 ( 1.325 -1.040 2.887) 3.343 12.977 ( -0.848 -2.869 0.515) 3.036 14.345 ( 5.400 -3.403 -4.051) 7.560 14.439 ( 3.334 -5.381 6.417) 9.013 14.583 ( -5.628 -8.842 3.060) 10.919 14.712 ( -8.982 -4.633 -0.627) 10.126 15.245 ( 4.452 3.260 -10.040) 11.457 15.349 ( 2.482 4.822 -17.177) 18.013 15.415 ( 0.893 3.661 -20.767) 21.106 15.517 ( -2.304 2.708 -8.573) 9.281 20.386 ( 4.727 0.244 -1.704) 5.031 20.429 ( 1.514 -0.701 -0.520) 1.747 20.577 ( 2.537 -1.590 -4.443) 5.358 20.782 ( -4.860 -6.444 -9.246) 12.273 21.225 ( 2.272 1.115 6.012) 6.523 21.398 ( -4.983 -1.392 5.206) 7.340 21.548 ( 0.608 -7.500 4.912) 8.986 21.603 ( -0.114 -7.105 5.145) 8.773 21.786 ( 0.822 3.750 -0.001) 3.839 21.813 ( -0.698 6.683 -0.989) 6.791 21.989 ( 2.098 5.120 -3.637) 6.622 22.078 ( -2.644 1.547 -3.107) 4.363 22.357 ( 5.716 6.371 -5.266) 10.049 22.541 ( -0.443 2.586 -5.023) 5.666 22.607 ( -3.146 1.678 -3.247) 4.823 22.666 ( -2.628 1.137 -5.295) 6.019 22.986 ( 1.319 2.959 4.566) 5.598 23.060 ( -1.929 1.459 4.585) 5.184 23.328 ( 4.605 -3.034 2.550) 6.075 23.444 ( -1.045 -4.455 7.639) 8.905 23.463 ( 2.963 0.576 7.594) 8.172 23.651 ( -3.678 2.321 -3.226) 5.415 23.799 ( 6.093 -3.515 6.476) 9.562 24.263 ( -15.554 -8.769 4.004) 18.299 25.350 ( 1.838 0.065 -0.928) 2.060 25.384 ( 4.883 -0.692 -1.258) 5.090 25.440 ( -0.101 0.150 -1.275) 1.287 25.569 ( -2.417 -1.577 -2.565) 3.861 ======================= Grid point 77 (30/72) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -16.623 7.808 10.439) 21.125 1.414 ( 16.623 7.808 10.439) 21.125 1.597 ( -14.288 1.495 18.360) 23.313 1.597 ( 14.288 1.495 18.360) 23.313 2.261 ( -3.293 -4.910 0.257) 5.918 2.261 ( 3.293 -4.910 0.257) 5.918 2.513 ( -8.112 3.344 13.241) 15.884 2.513 ( 8.112 3.344 13.241) 15.884 2.647 ( -4.503 2.639 1.397) 5.403 2.647 ( 4.503 2.639 1.397) 5.403 2.805 ( -5.662 -7.867 -6.439) 11.637 2.805 ( 5.662 -7.867 -6.439) 11.637 2.937 ( -15.318 3.226 13.355) 20.577 2.937 ( 15.318 3.226 13.355) 20.577 3.231 ( -5.547 2.725 -3.138) 6.931 3.231 ( 5.547 2.725 -3.138) 6.931 3.379 ( -2.957 6.399 -3.425) 7.837 3.379 ( 2.957 6.399 -3.425) 7.837 3.596 ( -2.208 -4.801 -1.749) 5.567 3.596 ( 2.208 -4.801 -1.749) 5.567 3.915 ( -4.448 -0.060 -1.985) 4.871 3.915 ( 4.448 -0.060 -1.985) 4.871 4.055 ( -3.106 3.091 -3.171) 5.409 4.055 ( 3.106 3.091 -3.171) 5.409 4.235 ( -1.990 -3.287 -5.544) 6.745 4.235 ( 1.990 -3.287 -5.544) 6.745 4.443 ( -2.694 2.355 -9.483) 10.135 4.443 ( 2.694 2.355 -9.483) 10.135 4.538 ( -5.845 1.157 1.993) 6.283 4.538 ( 5.845 1.157 1.993) 6.283 4.842 ( -9.935 0.885 -7.951) 12.755 4.842 ( 9.935 0.885 -7.951) 12.755 4.901 ( -5.340 1.315 -2.716) 6.134 4.901 ( 5.340 1.315 -2.716) 6.134 5.222 ( -1.342 -3.828 -2.506) 4.768 5.222 ( 1.342 -3.828 -2.506) 4.768 5.399 ( -1.966 4.025 3.530) 5.704 5.399 ( 1.966 4.025 3.530) 5.704 5.629 ( -2.409 -7.428 2.934) 8.342 5.629 ( 2.409 -7.428 2.934) 8.342 5.758 ( -3.678 0.425 2.067) 4.241 5.758 ( 3.678 0.425 2.067) 4.241 6.060 ( -5.899 -2.942 -0.412) 6.604 6.060 ( 5.899 -2.942 -0.412) 6.604 6.261 ( -4.458 -3.950 -0.470) 5.975 6.261 ( 4.458 -3.950 -0.470) 5.975 6.342 ( -3.473 -2.916 5.414) 7.063 6.342 ( 3.473 -2.916 5.414) 7.063 6.555 ( -1.797 9.727 0.101) 9.892 6.555 ( 1.797 9.727 0.101) 9.892 6.691 ( -6.037 6.659 2.600) 9.356 6.691 ( 6.037 6.659 2.600) 9.356 7.281 ( -7.136 -2.132 0.739) 7.484 7.281 ( 7.136 -2.132 0.739) 7.484 7.413 ( -4.754 3.655 1.781) 6.255 7.413 ( 4.754 3.655 1.781) 6.255 7.458 ( -17.435 -1.622 0.212) 17.511 7.458 ( 17.435 -1.622 0.212) 17.511 7.771 ( -3.764 0.930 0.514) 3.911 7.771 ( 3.764 0.930 0.514) 3.911 8.078 ( -2.569 -4.708 -0.240) 5.369 8.078 ( 2.569 -4.708 -0.240) 5.369 8.203 ( -4.647 -0.801 1.655) 4.998 8.203 ( 4.647 -0.801 1.655) 4.998 8.658 ( -4.244 0.776 -3.195) 5.369 8.658 ( 4.244 0.776 -3.195) 5.369 8.803 ( -4.101 -3.158 3.116) 6.042 8.803 ( 4.101 -3.158 3.116) 6.042 9.065 ( -4.496 1.095 -6.736) 8.172 9.065 ( 4.496 1.095 -6.736) 8.172 9.219 ( -3.981 -2.102 -0.488) 4.528 9.219 ( 3.981 -2.102 -0.488) 4.528 9.420 ( -4.747 0.589 -5.915) 7.607 9.420 ( 4.747 0.589 -5.915) 7.607 9.675 ( -3.300 -5.138 -7.658) 9.794 9.675 ( 3.300 -5.138 -7.658) 9.794 10.988 ( -5.584 6.362 2.639) 8.867 10.988 ( 5.584 6.362 2.639) 8.867 11.105 ( -2.406 -3.443 5.339) 6.793 11.105 ( 2.406 -3.443 5.339) 6.793 11.325 ( -4.016 -9.791 1.870) 10.746 11.325 ( 4.016 -9.791 1.870) 10.746 11.491 ( -2.530 1.696 -0.827) 3.156 11.491 ( 2.530 1.696 -0.827) 3.156 11.850 ( -1.739 9.928 0.399) 10.087 11.850 ( 1.739 9.928 0.399) 10.087 12.102 ( -7.207 -1.888 -4.646) 8.780 12.102 ( 7.207 -1.888 -4.646) 8.780 12.254 ( -2.482 2.630 -4.185) 5.531 12.254 ( 2.482 2.630 -4.185) 5.531 12.503 ( -2.387 7.709 -2.168) 8.356 12.503 ( 2.387 7.709 -2.168) 8.356 12.897 ( -0.352 1.681 4.790) 5.089 12.897 ( 0.352 1.681 4.790) 5.089 12.956 ( -1.425 -2.650 1.191) 3.236 12.956 ( 1.425 -2.650 1.191) 3.236 14.467 ( -6.867 -5.121 -0.381) 8.575 14.467 ( 6.867 -5.121 -0.381) 8.575 14.541 ( -8.160 -4.480 2.940) 9.762 14.541 ( 8.160 -4.480 2.940) 9.762 15.329 ( -3.800 1.237 -14.823) 15.352 15.329 ( 3.800 1.237 -14.823) 15.352 15.463 ( -3.320 4.410 -13.524) 14.607 15.463 ( 3.320 4.410 -13.524) 14.607 20.442 ( -0.927 0.170 -1.133) 1.474 20.442 ( 0.927 0.170 -1.133) 1.474 20.668 ( -6.811 -4.720 -8.111) 11.596 20.668 ( 6.811 -4.720 -8.111) 11.596 21.295 ( -5.240 0.125 5.912) 7.900 21.295 ( 5.240 0.125 5.912) 7.900 21.580 ( -2.040 -7.537 4.824) 9.178 21.580 ( 2.040 -7.537 4.824) 9.178 21.800 ( -0.739 4.798 -0.428) 4.874 21.800 ( 0.739 4.798 -0.428) 4.874 22.031 ( -2.439 4.113 -4.130) 6.318 22.031 ( 2.439 4.113 -4.130) 6.318 22.470 ( -6.136 3.127 -4.502) 8.228 22.470 ( 6.136 3.127 -4.502) 8.228 22.612 ( -2.743 2.674 -3.595) 5.253 22.612 ( 2.743 2.674 -3.595) 5.253 23.020 ( -2.259 1.959 4.393) 5.314 23.020 ( 2.259 1.959 4.393) 5.314 23.403 ( -3.147 -5.020 6.152) 8.541 23.403 ( 3.147 -5.020 6.152) 8.541 23.554 ( -6.064 2.845 0.351) 6.708 23.554 ( 6.064 2.845 0.351) 6.708 23.981 ( -13.544 -5.116 8.042) 16.562 23.981 ( 13.544 -5.116 8.042) 16.562 25.389 ( -2.096 0.448 -1.296) 2.505 25.389 ( 2.096 0.448 -1.296) 2.505 25.504 ( -4.575 -1.700 -2.359) 5.421 25.504 ( 4.575 -1.700 -2.359) 5.421 ======================= Grid point 80 (31/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 14.858 6.533) 16.231 1.417 ( 0.000 16.208 12.024) 20.181 1.956 ( 0.000 -1.422 3.133) 3.440 2.039 ( 0.000 -4.492 4.902) 6.649 2.110 ( 0.000 -5.548 -5.598) 7.882 2.184 ( 0.000 -2.713 -1.026) 2.900 2.192 ( 0.000 -18.434 3.082) 18.690 2.309 ( 0.000 6.771 9.931) 12.020 2.580 ( 0.000 -1.420 0.019) 1.420 2.732 ( 0.000 -8.827 -3.015) 9.327 2.820 ( 0.000 3.349 4.396) 5.526 2.867 ( 0.000 -0.602 9.818) 9.836 2.928 ( 0.000 10.395 12.334) 16.130 3.050 ( 0.000 2.156 -1.754) 2.779 3.286 ( 0.000 0.619 -5.443) 5.478 3.366 ( 0.000 1.919 -2.187) 2.910 3.462 ( 0.000 5.026 1.034) 5.131 3.465 ( 0.000 5.173 0.035) 5.174 3.586 ( 0.000 -0.080 -0.174) 0.191 3.665 ( 0.000 6.091 1.504) 6.274 3.895 ( 0.000 -0.348 3.814) 3.830 3.923 ( 0.000 1.177 -1.085) 1.600 4.037 ( 0.000 -11.494 -3.886) 12.133 4.065 ( 0.000 0.518 2.061) 2.125 4.224 ( 0.000 2.486 -4.873) 5.470 4.293 ( 0.000 2.485 -1.274) 2.793 4.389 ( 0.000 8.306 5.860) 10.165 4.395 ( 0.000 -1.072 -1.648) 1.966 4.547 ( 0.000 -3.052 -9.696) 10.165 4.600 ( 0.000 3.460 -7.535) 8.291 4.716 ( 0.000 4.659 -4.959) 6.805 4.729 ( 0.000 0.138 -3.654) 3.656 5.013 ( 0.000 0.212 -0.576) 0.613 5.055 ( 0.000 -3.766 -1.287) 3.980 5.127 ( 0.000 -3.430 -0.623) 3.486 5.182 ( 0.000 -1.184 -2.391) 2.668 5.406 ( 0.000 -6.364 1.118) 6.461 5.466 ( 0.000 0.244 3.099) 3.109 5.483 ( 0.000 -0.637 1.860) 1.966 5.563 ( 0.000 -6.231 -1.875) 6.507 5.773 ( 0.000 4.306 1.431) 4.537 5.929 ( 0.000 -0.827 -4.750) 4.821 5.999 ( 0.000 -1.534 -7.464) 7.620 6.040 ( 0.000 -6.499 5.277) 8.371 6.220 ( 0.000 -3.877 2.868) 4.822 6.243 ( 0.000 -1.559 5.307) 5.531 6.303 ( 0.000 -0.239 -1.860) 1.875 6.334 ( 0.000 -2.770 3.026) 4.102 6.614 ( 0.000 7.646 2.570) 8.066 6.696 ( 0.000 5.446 1.518) 5.654 6.730 ( 0.000 4.663 -2.331) 5.214 6.828 ( 0.000 -0.472 1.330) 1.412 6.996 ( 0.000 9.267 1.228) 9.348 7.030 ( 0.000 5.359 -0.250) 5.365 7.334 ( 0.000 2.052 8.242) 8.494 7.414 ( 0.000 2.500 -0.293) 2.517 7.685 ( 0.000 -11.608 6.226) 13.172 7.760 ( 0.000 -6.830 -1.178) 6.930 7.783 ( 0.000 2.868 5.130) 5.877 7.826 ( 0.000 3.908 -0.231) 3.915 8.020 ( 0.000 -3.482 -0.154) 3.486 8.167 ( 0.000 -7.609 -5.615) 9.457 8.199 ( 0.000 1.793 -0.457) 1.850 8.433 ( 0.000 -5.846 -1.358) 6.002 8.577 ( 0.000 2.280 3.716) 4.360 8.613 ( 0.000 3.825 -0.407) 3.847 8.659 ( 0.000 -2.613 3.200) 4.131 8.779 ( 0.000 -3.779 5.349) 6.549 8.810 ( 0.000 2.224 -1.307) 2.580 8.835 ( 0.000 -0.035 -3.788) 3.788 9.208 ( 0.000 3.095 -1.952) 3.659 9.297 ( 0.000 -0.298 -8.246) 8.251 9.381 ( 0.000 -0.899 -9.503) 9.545 9.417 ( 0.000 0.299 -5.391) 5.400 9.581 ( 0.000 -0.733 -5.183) 5.234 9.654 ( 0.000 -2.256 -4.399) 4.944 10.945 ( 0.000 1.292 6.442) 6.570 11.017 ( 0.000 4.377 5.061) 6.691 11.085 ( 0.000 -1.875 2.798) 3.368 11.182 ( 0.000 0.149 3.165) 3.169 11.306 ( 0.000 -6.570 0.336) 6.579 11.346 ( 0.000 -2.706 -0.364) 2.731 11.467 ( 0.000 4.262 -3.493) 5.510 11.531 ( 0.000 1.353 -4.952) 5.134 11.813 ( 0.000 4.508 -0.112) 4.510 11.937 ( 0.000 -0.705 -1.814) 1.946 12.025 ( 0.000 1.980 0.110) 1.983 12.140 ( 0.000 4.485 -4.552) 6.391 12.308 ( 0.000 4.381 -7.081) 8.327 12.392 ( 0.000 7.454 2.287) 7.797 12.527 ( 0.000 -0.121 1.065) 1.072 12.720 ( 0.000 -3.722 -0.549) 3.763 12.870 ( 0.000 -0.851 3.441) 3.544 12.878 ( 0.000 -0.741 3.405) 3.485 12.960 ( 0.000 2.390 0.233) 2.401 12.978 ( 0.000 2.413 6.879) 7.290 14.219 ( 0.000 -3.118 -2.445) 3.962 14.280 ( 0.000 -6.196 4.308) 7.546 14.505 ( 0.000 -1.941 3.844) 4.307 14.667 ( 0.000 -7.160 -0.481) 7.176 15.310 ( 0.000 5.792 -10.838) 12.289 15.427 ( 0.000 2.729 -17.395) 17.608 15.467 ( 0.000 2.515 -20.164) 20.320 15.551 ( 0.000 -1.263 -10.584) 10.659 20.344 ( 0.000 0.816 -0.908) 1.221 20.387 ( 0.000 -1.323 -0.681) 1.488 20.560 ( 0.000 0.605 -3.393) 3.447 20.685 ( 0.000 -6.148 -5.561) 8.290 21.247 ( 0.000 2.562 6.543) 7.027 21.380 ( 0.000 -3.411 6.031) 6.929 21.465 ( 0.000 -2.508 9.641) 9.961 21.487 ( 0.000 -3.034 7.866) 8.431 21.874 ( 0.000 5.239 -0.509) 5.263 21.975 ( 0.000 6.429 -4.015) 7.579 22.022 ( 0.000 -0.100 -3.319) 3.320 22.093 ( 0.000 -0.659 -2.732) 2.811 22.434 ( 0.000 5.587 -8.012) 9.767 22.607 ( 0.000 -2.818 -4.294) 5.136 22.636 ( 0.000 4.352 -6.645) 7.943 22.710 ( 0.000 0.466 -8.021) 8.035 23.066 ( 0.000 5.116 4.676) 6.930 23.116 ( 0.000 2.025 5.933) 6.269 23.235 ( 0.000 -2.339 6.373) 6.789 23.340 ( 0.000 -6.539 5.712) 8.683 23.445 ( 0.000 1.783 5.405) 5.692 23.604 ( 0.000 -5.207 3.662) 6.366 23.804 ( 0.000 4.942 -2.418) 5.502 24.166 ( 0.000 -12.714 0.048) 12.714 25.320 ( 0.000 0.299 0.738) 0.796 25.329 ( 0.000 -0.161 -0.387) 0.419 25.470 ( 0.000 1.515 -1.808) 2.359 25.552 ( 0.000 -2.163 -2.416) 3.243 ======================= Grid point 81 (32/72) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 8.507 13.699 5.178) 16.937 1.511 ( 9.476 14.384 12.437) 21.246 1.837 ( -11.444 2.841 5.138) 12.862 1.954 ( -11.342 8.524 4.251) 14.811 2.063 ( 0.264 -7.236 3.382) 7.991 2.123 ( -1.693 -13.388 -4.117) 14.108 2.276 ( 6.480 -18.565 -1.457) 19.718 2.434 ( 5.442 0.755 4.812) 7.304 2.578 ( 0.832 -3.095 3.706) 4.900 2.719 ( -2.247 -5.208 -2.771) 6.313 2.783 ( -2.494 2.601 -1.440) 3.881 2.836 ( -2.506 0.865 10.190) 10.529 2.927 ( 2.551 12.332 12.559) 17.785 3.139 ( 3.858 0.039 0.181) 3.863 3.205 ( -3.751 -0.334 -2.938) 4.776 3.394 ( -3.895 3.647 2.525) 5.903 3.417 ( 3.827 3.896 -1.121) 5.575 3.543 ( 3.224 3.833 2.340) 5.528 3.561 ( -1.465 3.076 1.074) 3.572 3.632 ( -4.507 7.889 0.092) 9.086 3.863 ( 1.341 1.135 -0.245) 1.774 3.969 ( 1.049 -2.516 1.447) 3.086 4.042 ( 0.220 -3.339 -0.239) 3.354 4.064 ( 0.285 -5.530 -2.833) 6.220 4.175 ( -2.674 3.676 -3.123) 5.516 4.283 ( -2.980 2.970 -3.659) 5.576 4.383 ( 1.811 -2.932 -2.033) 4.001 4.472 ( 0.664 1.206 -3.409) 3.677 4.505 ( 3.043 2.741 -3.088) 5.129 4.657 ( 0.196 2.349 -5.516) 5.998 4.722 ( 4.831 1.492 -3.740) 6.289 4.802 ( 5.044 2.005 -2.857) 6.134 4.979 ( -2.985 -0.387 -2.749) 4.076 5.046 ( -1.776 -0.198 -2.235) 2.862 5.113 ( -0.474 -2.674 -1.591) 3.148 5.181 ( -0.905 -1.997 -2.264) 3.152 5.410 ( 0.438 -5.838 1.368) 6.012 5.443 ( -1.593 1.391 -0.159) 2.121 5.485 ( 0.002 -5.468 3.323) 6.399 5.535 ( -2.713 -3.452 -0.629) 4.435 5.776 ( 0.338 4.492 1.006) 4.616 5.895 ( -7.796 1.054 -4.900) 9.268 5.940 ( 1.718 -1.857 -2.731) 3.723 6.061 ( 1.316 -6.794 4.408) 8.205 6.172 ( -3.249 1.269 1.238) 3.702 6.229 ( -2.374 -4.292 3.507) 6.030 6.254 ( -1.869 -2.618 3.067) 4.445 6.290 ( -4.035 -5.278 0.905) 6.705 6.668 ( 5.311 7.909 3.449) 10.132 6.753 ( 3.332 6.008 3.586) 7.750 6.827 ( 2.549 8.580 -1.000) 9.007 6.890 ( 0.535 4.235 0.835) 4.350 7.052 ( 13.225 1.806 -2.413) 13.565 7.083 ( 7.835 1.995 0.902) 8.135 7.336 ( -0.382 1.176 6.506) 6.622 7.424 ( 1.606 3.605 1.624) 4.268 7.595 ( -7.831 -7.113 3.334) 11.092 7.713 ( -7.871 1.556 2.019) 8.273 7.758 ( -2.708 -0.943 1.225) 3.118 7.817 ( -0.140 -0.929 -0.479) 1.055 8.012 ( -2.895 -3.817 -1.458) 5.007 8.070 ( -3.382 -5.281 -1.785) 6.520 8.133 ( -5.921 -0.198 0.219) 5.929 8.301 ( -9.831 -4.013 0.636) 10.638 8.613 ( 3.037 1.823 -1.779) 3.963 8.662 ( 6.131 0.214 4.365) 7.529 8.735 ( 0.713 -0.958 2.856) 3.096 8.750 ( -0.761 -1.931 2.301) 3.098 8.929 ( 11.483 -0.319 -0.801) 11.515 8.946 ( 8.496 -0.510 -4.366) 9.565 9.218 ( -1.461 0.104 -2.064) 2.530 9.238 ( -4.004 -0.126 -6.736) 7.837 9.412 ( 0.871 0.937 -5.991) 6.126 9.454 ( 4.618 0.102 -8.364) 9.555 9.560 ( -1.583 -0.817 -5.992) 6.251 9.642 ( -1.573 -2.676 -5.254) 6.103 10.969 ( 2.823 0.813 5.482) 6.219 11.038 ( 2.691 2.941 3.881) 5.563 11.120 ( 3.473 -1.115 3.247) 4.884 11.154 ( -3.779 0.533 3.292) 5.040 11.247 ( -5.084 -5.094 1.315) 7.316 11.309 ( -6.758 5.990 -1.303) 9.124 11.396 ( 0.857 -4.105 -1.835) 4.578 11.552 ( -1.991 -1.717 -5.069) 5.711 11.893 ( 6.929 4.129 -1.415) 8.189 11.962 ( 2.403 0.913 -1.728) 3.098 12.045 ( 1.934 1.966 -2.037) 3.429 12.125 ( -1.617 1.866 -4.267) 4.930 12.325 ( 1.199 5.181 -3.611) 6.428 12.377 ( -1.509 8.057 1.788) 8.390 12.540 ( 1.806 -0.113 0.261) 1.828 12.685 ( -3.686 -1.965 -0.392) 4.195 12.866 ( 0.686 -0.944 2.503) 2.761 12.910 ( 2.159 -0.721 4.072) 4.665 12.933 ( -2.141 1.811 1.495) 3.178 12.976 ( -0.726 1.835 5.413) 5.761 14.272 ( 5.354 -3.093 -2.120) 6.537 14.314 ( 3.756 -5.683 4.033) 7.916 14.466 ( -3.879 -2.216 3.744) 5.829 14.594 ( -7.296 -6.247 -0.668) 9.628 15.335 ( 2.567 5.232 -11.717) 13.086 15.426 ( -0.880 3.135 -17.345) 17.648 15.476 ( 1.397 1.368 -17.616) 17.725 15.539 ( -1.213 -0.906 -11.803) 11.900 20.392 ( 4.528 0.365 -1.850) 4.905 20.413 ( 2.691 -0.772 -1.081) 3.001 20.549 ( -0.983 -0.682 -3.547) 3.744 20.649 ( -3.851 -5.821 -5.513) 8.894 21.263 ( 1.819 2.558 6.885) 7.566 21.383 ( -1.580 -0.646 6.621) 6.838 21.426 ( -0.935 -3.832 8.612) 9.472 21.488 ( -0.945 -4.130 8.039) 9.087 21.884 ( 1.073 5.280 -0.678) 5.430 21.949 ( -2.097 5.963 -2.828) 6.925 22.042 ( 1.295 -0.549 -3.342) 3.626 22.079 ( -1.105 -0.483 -3.502) 3.704 22.475 ( 3.864 5.034 -7.646) 9.937 22.603 ( -1.485 1.384 -5.089) 5.479 22.626 ( 0.128 1.398 -6.467) 6.617 22.692 ( -1.798 0.852 -7.216) 7.485 23.068 ( 0.274 4.879 4.771) 6.830 23.102 ( -1.321 2.541 5.747) 6.421 23.252 ( 1.706 -4.076 6.306) 7.700 23.324 ( -1.537 -6.527 5.872) 8.913 23.499 ( 5.486 2.617 3.489) 7.009 23.660 ( 4.992 -3.380 3.467) 6.955 23.763 ( -3.309 2.656 -0.615) 4.287 24.060 ( -10.257 -10.177 2.251) 14.623 25.353 ( 2.410 0.221 -0.643) 2.504 25.370 ( 4.595 -0.616 -0.495) 4.663 25.454 ( -1.699 1.213 -1.611) 2.637 25.529 ( -2.475 -2.143 -2.289) 3.995 ======================= Grid point 82 (33/72) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -12.876 9.245 4.388) 16.448 1.597 ( 12.876 9.245 4.388) 16.448 1.727 ( -12.536 12.062 10.843) 20.499 1.727 ( 12.536 12.062 10.843) 20.499 2.090 ( -2.056 -11.562 -1.833) 11.885 2.090 ( 2.056 -11.562 -1.833) 11.885 2.400 ( -6.450 -15.500 -1.616) 16.866 2.400 ( 6.450 -15.500 -1.616) 16.866 2.654 ( -4.995 3.861 5.287) 8.235 2.654 ( 4.995 3.861 5.287) 8.235 2.779 ( -2.039 0.643 2.211) 3.076 2.779 ( 2.039 0.643 2.211) 3.076 3.033 ( -7.861 6.117 5.388) 11.325 3.033 ( 7.861 6.117 5.388) 11.325 3.297 ( -6.584 -1.636 1.891) 7.043 3.297 ( 6.584 -1.636 1.891) 7.043 3.508 ( -5.452 7.125 1.575) 9.109 3.508 ( 5.452 7.125 1.575) 9.109 3.568 ( -0.845 5.076 0.414) 5.163 3.568 ( 0.845 5.076 0.414) 5.163 3.932 ( -4.651 0.337 0.830) 4.737 3.932 ( 4.651 0.337 0.830) 4.737 4.055 ( -2.228 -3.845 -1.728) 4.769 4.055 ( 2.228 -3.845 -1.728) 4.769 4.200 ( -4.807 1.852 -4.605) 6.910 4.200 ( 4.807 1.852 -4.605) 6.910 4.428 ( -2.632 -3.643 -6.788) 8.141 4.428 ( 2.632 -3.643 -6.788) 8.141 4.613 ( -4.759 5.393 0.331) 7.200 4.613 ( 4.759 5.393 0.331) 7.200 4.826 ( -4.371 -2.992 -1.875) 5.620 4.826 ( 4.371 -2.992 -1.875) 5.620 4.975 ( -4.339 5.616 -5.626) 9.056 4.975 ( 4.339 5.616 -5.626) 9.056 5.142 ( -2.890 -3.644 -2.127) 5.114 5.142 ( 2.890 -3.644 -2.127) 5.114 5.422 ( -0.881 -3.144 0.677) 3.334 5.422 ( 0.881 -3.144 0.677) 3.334 5.491 ( -1.368 -3.671 0.718) 3.983 5.491 ( 1.368 -3.671 0.718) 3.983 5.798 ( -2.670 3.325 -0.385) 4.281 5.798 ( 2.670 3.325 -0.385) 4.281 6.011 ( -5.524 -3.509 0.755) 6.587 6.011 ( 5.524 -3.509 0.755) 6.587 6.175 ( -3.199 -2.595 1.100) 4.264 6.175 ( 3.199 -2.595 1.100) 4.264 6.245 ( -0.928 -4.556 3.467) 5.800 6.245 ( 0.928 -4.556 3.467) 5.800 6.772 ( -4.336 8.504 3.212) 10.071 6.772 ( 4.336 8.504 3.212) 10.071 6.831 ( -2.658 6.396 1.582) 7.105 6.831 ( 2.658 6.396 1.582) 7.105 7.255 ( -6.302 0.148 1.786) 6.552 7.255 ( 6.302 0.148 1.786) 6.552 7.393 ( -14.624 -3.706 -0.072) 15.087 7.393 ( 14.624 -3.706 -0.072) 15.087 7.515 ( -9.739 5.485 1.746) 11.313 7.515 ( 9.739 5.485 1.746) 11.313 7.759 ( -2.769 -3.195 -0.058) 4.228 7.759 ( 2.769 -3.195 -0.058) 4.228 8.011 ( -4.311 -0.799 -0.530) 4.417 8.011 ( 4.311 -0.799 -0.530) 4.417 8.143 ( -6.695 -4.564 1.454) 8.233 8.143 ( 6.695 -4.564 1.454) 8.233 8.682 ( -3.785 1.504 -0.477) 4.101 8.682 ( 3.785 1.504 -0.477) 4.101 8.747 ( -2.029 -2.123 3.478) 4.552 8.747 ( 2.029 -2.123 3.478) 4.552 9.081 ( -2.956 0.685 -2.501) 3.932 9.081 ( 2.956 0.685 -2.501) 3.932 9.159 ( -3.608 -3.109 -3.938) 6.180 9.159 ( 3.608 -3.109 -3.938) 6.180 9.460 ( -3.300 2.971 -6.295) 7.703 9.460 ( 3.300 2.971 -6.295) 7.703 9.590 ( -3.908 -3.354 -7.083) 8.758 9.590 ( 3.908 -3.354 -7.083) 8.758 11.049 ( -5.415 -0.443 4.586) 7.109 11.049 ( 5.415 -0.443 4.586) 7.109 11.131 ( -6.165 1.847 0.246) 6.441 11.131 ( 6.165 1.847 0.246) 6.441 11.199 ( -4.939 1.096 3.345) 6.065 11.199 ( 4.939 1.096 3.345) 6.065 11.470 ( -5.626 -3.999 -3.708) 7.835 11.470 ( 5.626 -3.999 -3.708) 7.835 11.986 ( -1.709 4.080 -2.219) 4.949 11.986 ( 1.709 4.080 -2.219) 4.949 12.084 ( -2.604 -0.935 -4.123) 4.965 12.084 ( 2.604 -0.935 -4.123) 4.965 12.346 ( -1.505 7.216 0.790) 7.414 12.346 ( 1.505 7.216 0.790) 7.414 12.602 ( -4.662 0.128 -0.553) 4.696 12.602 ( 4.662 0.128 -0.553) 4.696 12.892 ( -2.008 -0.354 1.807) 2.724 12.892 ( 2.008 -0.354 1.807) 2.724 12.950 ( -1.917 0.764 4.770) 5.198 12.950 ( 1.917 0.764 4.770) 5.198 14.372 ( -4.525 -3.092 1.990) 5.831 14.372 ( 4.525 -3.092 1.990) 5.831 14.439 ( -8.057 -4.988 0.421) 9.485 14.439 ( 8.057 -4.988 0.421) 9.485 15.389 ( -2.846 4.027 -14.442) 15.261 15.389 ( 2.846 4.027 -14.442) 15.261 15.510 ( -1.893 -0.040 -14.590) 14.713 15.510 ( 1.893 -0.040 -14.590) 14.713 20.451 ( -0.884 0.947 -1.854) 2.261 20.451 ( 0.884 0.947 -1.854) 2.261 20.564 ( -4.054 -4.820 -4.857) 7.953 20.564 ( 4.054 -4.820 -4.857) 7.953 21.316 ( -3.866 2.012 7.516) 8.688 21.316 ( 3.866 2.012 7.516) 8.688 21.455 ( -2.359 -4.878 7.617) 9.348 21.455 ( 2.359 -4.878 7.617) 9.348 21.911 ( -1.867 5.579 -1.390) 6.045 21.911 ( 1.867 5.579 -1.390) 6.045 22.061 ( -0.900 -0.866 -3.611) 3.821 22.061 ( 0.900 -0.866 -3.611) 3.821 22.549 ( -3.817 4.295 -6.996) 9.053 22.549 ( 3.817 4.295 -6.996) 9.053 22.653 ( -2.185 0.590 -6.046) 6.456 22.653 ( 2.185 0.590 -6.046) 6.456 23.079 ( -0.997 3.815 5.246) 6.563 23.079 ( 0.997 3.815 5.246) 6.563 23.289 ( -2.115 -5.973 6.083) 8.784 23.289 ( 2.115 -5.973 6.083) 8.784 23.620 ( -6.901 3.951 0.400) 7.962 23.620 ( 6.901 3.951 0.400) 7.962 23.853 ( -10.880 -6.904 4.758) 13.736 23.853 ( 10.880 -6.904 4.758) 13.736 25.403 ( -2.652 0.999 -1.274) 3.107 25.403 ( 2.652 0.999 -1.274) 3.107 25.465 ( -4.261 -1.935 -1.706) 4.981 25.465 ( 4.261 -1.935 -1.706) 4.981 ======================= Grid point 85 (34/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.000 -14.126 -6.031) 15.359 1.688 ( 0.000 14.126 -6.031) 15.359 1.808 ( 0.000 -10.695 5.581) 12.063 1.808 ( 0.000 10.695 5.581) 12.063 1.972 ( 0.000 -1.281 4.420) 4.602 1.972 ( 0.000 1.281 4.420) 4.602 2.372 ( 0.000 -7.158 -1.126) 7.246 2.372 ( 0.000 7.158 -1.126) 7.246 2.519 ( 0.000 -0.851 4.866) 4.940 2.519 ( 0.000 0.851 4.866) 4.940 2.854 ( 0.000 -0.955 4.050) 4.161 2.854 ( 0.000 0.955 4.050) 4.161 3.079 ( 0.000 -0.624 -0.297) 0.691 3.079 ( 0.000 0.624 -0.297) 0.691 3.339 ( 0.000 -4.279 5.467) 6.943 3.339 ( 0.000 4.279 5.467) 6.943 3.587 ( 0.000 -1.722 1.695) 2.416 3.587 ( 0.000 1.722 1.695) 2.416 3.649 ( 0.000 -7.498 -1.305) 7.610 3.649 ( 0.000 7.498 -1.305) 7.610 3.870 ( 0.000 -1.775 1.166) 2.124 3.870 ( 0.000 1.775 1.166) 2.124 3.978 ( 0.000 -5.870 -0.577) 5.898 3.978 ( 0.000 5.870 -0.577) 5.898 4.292 ( 0.000 -3.738 -1.039) 3.879 4.292 ( 0.000 3.738 -1.039) 3.879 4.442 ( 0.000 -5.951 -4.833) 7.666 4.442 ( 0.000 5.951 -4.833) 7.666 4.599 ( 0.000 -7.481 -1.210) 7.578 4.599 ( 0.000 7.481 -1.210) 7.578 4.721 ( 0.000 -0.124 -1.916) 1.920 4.721 ( 0.000 0.124 -1.916) 1.920 5.014 ( 0.000 -0.920 2.183) 2.369 5.014 ( 0.000 0.920 2.183) 2.369 5.157 ( 0.000 -3.924 -3.152) 5.034 5.157 ( 0.000 3.924 -3.152) 5.034 5.338 ( 0.000 -3.599 -0.662) 3.659 5.338 ( 0.000 3.599 -0.662) 3.659 5.530 ( 0.000 -2.147 -4.176) 4.696 5.530 ( 0.000 2.147 -4.176) 4.696 5.882 ( 0.000 -5.391 0.496) 5.414 5.882 ( 0.000 5.391 0.496) 5.414 5.938 ( 0.000 -0.167 0.303) 0.346 5.938 ( 0.000 0.167 0.303) 0.346 6.213 ( 0.000 -0.916 6.119) 6.187 6.213 ( 0.000 0.916 6.119) 6.187 6.312 ( 0.000 -0.390 -1.553) 1.601 6.312 ( 0.000 0.390 -1.553) 1.601 6.721 ( 0.000 -2.366 1.182) 2.645 6.721 ( 0.000 2.366 1.182) 2.645 6.802 ( 0.000 -2.669 0.594) 2.734 6.802 ( 0.000 2.669 0.594) 2.734 7.096 ( 0.000 -0.053 0.415) 0.418 7.096 ( 0.000 0.053 0.415) 0.418 7.457 ( 0.000 -9.856 7.201) 12.206 7.457 ( 0.000 9.856 7.201) 12.206 7.552 ( 0.000 -10.543 -0.625) 10.561 7.552 ( 0.000 10.543 -0.625) 10.561 7.857 ( 0.000 -2.934 3.420) 4.507 7.857 ( 0.000 2.934 3.420) 4.507 8.031 ( 0.000 -5.286 -4.694) 7.069 8.031 ( 0.000 5.286 -4.694) 7.069 8.296 ( 0.000 -6.778 -0.104) 6.779 8.296 ( 0.000 6.778 -0.104) 6.779 8.618 ( 0.000 -1.800 2.583) 3.148 8.618 ( 0.000 1.800 2.583) 3.148 8.691 ( 0.000 -4.159 2.984) 5.118 8.691 ( 0.000 4.159 2.984) 5.118 8.840 ( 0.000 -0.409 -2.173) 2.212 8.840 ( 0.000 0.409 -2.173) 2.212 9.265 ( 0.000 -2.370 -4.369) 4.971 9.265 ( 0.000 2.370 -4.369) 4.971 9.393 ( 0.000 -1.767 -8.411) 8.595 9.393 ( 0.000 1.767 -8.411) 8.595 9.607 ( 0.000 -2.327 -4.941) 5.461 9.607 ( 0.000 2.327 -4.941) 5.461 11.000 ( 0.000 -4.205 5.075) 6.591 11.000 ( 0.000 4.205 5.075) 6.591 11.145 ( 0.000 -6.992 2.268) 7.350 11.145 ( 0.000 6.992 2.268) 7.350 11.266 ( 0.000 -4.238 1.105) 4.380 11.266 ( 0.000 4.238 1.105) 4.380 11.532 ( 0.000 -1.571 -5.245) 5.475 11.532 ( 0.000 1.571 -5.245) 5.475 11.902 ( 0.000 -3.179 -1.509) 3.519 11.902 ( 0.000 3.179 -1.509) 3.519 12.087 ( 0.000 -4.678 -5.224) 7.012 12.087 ( 0.000 4.678 -5.224) 7.012 12.446 ( 0.000 -4.645 0.685) 4.695 12.446 ( 0.000 4.645 0.685) 4.695 12.590 ( 0.000 -7.339 3.018) 7.936 12.590 ( 0.000 7.339 3.018) 7.936 12.858 ( 0.000 -0.649 2.068) 2.167 12.858 ( 0.000 0.649 2.068) 2.167 13.001 ( 0.000 -0.312 4.551) 4.562 13.001 ( 0.000 0.312 4.551) 4.562 14.197 ( 0.000 -1.471 0.767) 1.659 14.197 ( 0.000 1.471 0.767) 1.659 14.540 ( 0.000 -4.688 1.114) 4.819 14.540 ( 0.000 4.688 1.114) 4.819 15.416 ( 0.000 -3.751 -14.408) 14.888 15.416 ( 0.000 3.751 -14.408) 14.888 15.510 ( 0.000 -1.967 -14.928) 15.057 15.510 ( 0.000 1.967 -14.928) 15.057 20.362 ( 0.000 -1.051 -0.986) 1.441 20.362 ( 0.000 1.051 -0.986) 1.441 20.593 ( 0.000 -2.914 -4.053) 4.992 20.593 ( 0.000 2.914 -4.053) 4.992 21.308 ( 0.000 -3.385 7.045) 7.816 21.308 ( 0.000 3.385 7.045) 7.816 21.451 ( 0.000 -0.597 9.377) 9.396 21.451 ( 0.000 0.597 9.377) 9.396 21.972 ( 0.000 -4.094 -1.309) 4.298 21.972 ( 0.000 4.094 -1.309) 4.298 22.067 ( 0.000 -2.596 -4.600) 5.282 22.067 ( 0.000 2.596 -4.600) 5.282 22.534 ( 0.000 -4.337 -6.653) 7.942 22.534 ( 0.000 4.337 -6.653) 7.942 22.699 ( 0.000 -1.736 -7.287) 7.491 22.699 ( 0.000 1.736 -7.287) 7.491 23.146 ( 0.000 -0.468 6.324) 6.342 23.146 ( 0.000 0.468 6.324) 6.342 23.221 ( 0.000 -3.452 5.747) 6.703 23.221 ( 0.000 3.452 5.747) 6.703 23.505 ( 0.000 -4.106 3.479) 5.382 23.505 ( 0.000 4.106 3.479) 5.382 23.944 ( 0.000 -8.954 -1.401) 9.063 23.944 ( 0.000 8.954 -1.401) 9.063 25.325 ( 0.000 -0.215 0.127) 0.250 25.325 ( 0.000 0.215 0.127) 0.250 25.508 ( 0.000 -2.096 -2.158) 3.008 25.508 ( 0.000 2.096 -2.158) 3.008 ======================= Grid point 87 (35/72) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 3.719 -15.937 -3.196) 16.675 1.723 ( 3.719 15.937 -3.196) 16.675 1.871 ( 5.002 -14.383 2.494) 15.430 1.871 ( 5.002 14.383 2.494) 15.430 1.933 ( -2.451 -6.262 4.387) 8.029 1.933 ( -2.451 6.262 4.387) 8.029 2.245 ( -9.907 -14.104 1.049) 17.268 2.245 ( -9.907 14.104 1.049) 17.268 2.622 ( 7.364 -5.552 3.424) 9.838 2.622 ( 7.364 5.552 3.424) 9.838 2.825 ( -3.060 -1.244 4.167) 5.317 2.825 ( -3.060 1.244 4.167) 5.317 3.105 ( 2.754 -4.464 0.015) 5.245 3.105 ( 2.754 4.464 0.015) 5.245 3.273 ( -5.597 -7.604 3.688) 10.137 3.273 ( -5.597 7.604 3.688) 10.137 3.605 ( 1.708 -2.982 1.666) 3.819 3.605 ( 1.708 2.982 1.666) 3.819 3.668 ( 0.259 -6.076 1.332) 6.226 3.668 ( 0.259 6.076 1.332) 6.226 3.888 ( 2.619 -4.020 -0.446) 4.819 3.888 ( 2.619 4.020 -0.446) 4.819 3.980 ( -0.339 -4.530 1.168) 4.690 3.980 ( -0.339 4.530 1.168) 4.690 4.277 ( -0.501 -5.554 -2.030) 5.935 4.277 ( -0.501 5.554 -2.030) 5.935 4.396 ( -4.534 -5.912 -4.882) 8.907 4.396 ( -4.534 5.912 -4.882) 8.907 4.638 ( 4.502 -5.240 -1.608) 7.093 4.638 ( 4.502 5.240 -1.608) 7.093 4.763 ( 1.840 -3.394 -0.204) 3.866 4.763 ( 1.840 3.394 -0.204) 3.866 5.012 ( 0.980 -2.035 -0.803) 2.397 5.012 ( 0.980 2.035 -0.803) 2.397 5.142 ( -1.986 -3.251 -2.338) 4.470 5.142 ( -1.986 3.251 -2.338) 4.470 5.354 ( 1.826 -3.182 -1.027) 3.810 5.354 ( 1.826 3.182 -1.027) 3.810 5.495 ( -3.865 -3.116 -4.298) 6.566 5.495 ( -3.865 3.116 -4.298) 6.566 5.880 ( 0.125 -4.473 -0.575) 4.511 5.880 ( 0.125 4.473 -0.575) 4.511 5.928 ( -0.858 -4.701 1.914) 5.148 5.928 ( -0.858 4.701 1.914) 5.148 6.195 ( -1.797 -0.465 5.472) 5.778 6.195 ( -1.797 0.465 5.472) 5.778 6.230 ( -5.089 -0.745 -0.588) 5.177 6.230 ( -5.089 0.745 -0.588) 5.177 6.783 ( 4.618 -2.731 4.048) 6.721 6.783 ( 4.618 2.731 4.048) 6.721 6.916 ( 6.024 -1.563 -0.739) 6.267 6.916 ( 6.024 1.563 -0.739) 6.267 7.101 ( 4.854 -1.515 0.153) 5.087 7.101 ( 4.854 1.515 0.153) 5.087 7.429 ( -3.274 -7.761 4.829) 9.709 7.429 ( -3.274 7.761 4.829) 9.709 7.567 ( 1.829 -9.712 0.924) 9.926 7.567 ( 1.829 9.712 0.924) 9.926 7.817 ( -7.155 -2.124 0.360) 7.472 7.817 ( -7.155 2.124 0.360) 7.472 7.980 ( -0.768 -2.006 -1.265) 2.493 7.980 ( -0.768 2.006 -1.265) 2.493 8.198 ( -8.462 -5.262 0.210) 9.966 8.198 ( -8.462 5.262 0.210) 9.966 8.652 ( 3.515 -1.567 1.999) 4.337 8.652 ( 3.515 1.567 1.999) 4.337 8.724 ( 1.280 -0.664 3.563) 3.843 8.724 ( 1.280 0.664 3.563) 3.843 8.937 ( 9.054 -0.618 -3.298) 9.655 8.937 ( 9.054 0.618 -3.298) 9.655 9.225 ( -4.373 -0.682 -4.102) 6.035 9.225 ( -4.373 0.682 -4.102) 6.035 9.437 ( 4.330 -1.475 -7.867) 9.100 9.437 ( 4.330 1.475 -7.867) 9.100 9.588 ( -2.185 -2.566 -5.535) 6.480 9.588 ( -2.185 2.566 -5.535) 6.480 11.012 ( 1.822 -3.479 4.212) 5.759 11.012 ( 1.822 3.479 4.212) 5.759 11.149 ( -1.778 -4.237 2.729) 5.344 11.149 ( -1.778 4.237 2.729) 5.344 11.256 ( 1.462 -6.460 0.422) 6.637 11.256 ( 1.462 6.460 0.422) 6.637 11.470 ( -6.126 -6.014 -4.174) 9.545 11.470 ( -6.126 6.014 -4.174) 9.545 11.955 ( 5.011 -1.655 -2.388) 5.792 11.955 ( 5.011 1.655 -2.388) 5.792 12.091 ( -0.401 -3.163 -5.036) 5.960 12.091 ( -0.401 3.163 -5.036) 5.960 12.461 ( 1.770 -5.129 1.161) 5.549 12.461 ( 1.770 5.129 1.161) 5.549 12.567 ( -2.420 -7.330 2.632) 8.156 12.567 ( -2.420 7.330 2.632) 8.156 12.879 ( 2.131 -1.899 2.555) 3.831 12.879 ( 2.131 1.899 2.555) 3.831 12.979 ( -2.252 -1.439 4.257) 5.026 12.979 ( -2.252 1.439 4.257) 5.026 14.245 ( 4.939 -0.846 0.779) 5.071 14.245 ( 4.939 0.846 0.779) 5.071 14.486 ( -5.513 -3.747 0.995) 6.740 14.486 ( -5.513 3.747 0.995) 6.740 15.434 ( 1.754 -3.519 -14.367) 14.896 15.434 ( 1.754 3.519 -14.367) 14.896 15.499 ( -1.141 -2.172 -14.777) 14.979 15.499 ( -1.141 2.172 -14.777) 14.979 20.401 ( 3.910 -0.477 -1.633) 4.264 20.401 ( 3.910 0.477 -1.633) 4.264 20.564 ( -3.123 -2.382 -3.800) 5.465 20.564 ( -3.123 2.382 -3.800) 5.465 21.326 ( 1.854 -3.489 7.378) 8.369 21.326 ( 1.854 3.489 7.378) 8.369 21.427 ( -2.510 -2.091 9.009) 9.583 21.427 ( -2.510 2.091 9.009) 9.583 21.982 ( 1.060 -3.930 -1.583) 4.368 21.982 ( 1.060 3.930 -1.583) 4.368 22.048 ( -1.887 -2.905 -3.754) 5.108 22.048 ( -1.887 2.905 -3.754) 5.108 22.564 ( 2.971 -3.561 -6.935) 8.342 22.564 ( 2.971 3.561 -6.935) 8.342 22.681 ( -2.072 -2.036 -7.347) 7.900 22.681 ( -2.072 2.036 -7.347) 7.900 23.152 ( 0.676 -0.755 6.184) 6.267 23.152 ( 0.676 0.755 6.184) 6.267 23.203 ( -1.670 -3.273 5.637) 6.729 23.203 ( -1.670 3.273 5.637) 6.729 23.570 ( 6.579 -4.289 3.173) 8.471 23.570 ( 6.579 4.289 3.173) 8.471 23.876 ( -6.974 -7.644 -0.292) 10.351 23.876 ( -6.974 7.644 -0.292) 10.351 25.359 ( 3.372 -0.431 -0.436) 3.427 25.359 ( 3.372 0.431 -0.436) 3.427 25.487 ( -2.259 -1.939 -1.971) 3.570 25.487 ( -2.259 1.939 -1.971) 3.570 ======================= Grid point 89 (36/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -5.794 -11.819 0.166) 13.164 1.815 ( 5.738 -11.812 0.166) 13.133 1.815 ( -5.738 11.812 0.166) 13.133 1.815 ( 5.794 11.819 0.166) 13.164 2.055 ( -10.365 -16.438 2.422) 19.583 2.055 ( 10.346 -16.435 2.422) 19.571 2.055 ( -10.346 16.435 2.422) 19.571 2.055 ( 10.365 16.438 2.422) 19.583 2.744 ( -5.117 -3.510 3.795) 7.274 2.744 ( -0.547 -2.419 3.795) 4.533 2.744 ( 0.547 2.419 3.795) 4.533 2.744 ( 5.117 3.510 3.795) 7.274 3.175 ( -4.696 -7.561 1.489) 9.024 3.175 ( 4.561 -7.540 1.489) 8.938 3.175 ( -4.561 7.540 1.489) 8.938 3.175 ( 4.696 7.561 1.489) 9.024 3.643 ( -1.729 -2.253 2.126) 3.547 3.643 ( 0.243 -2.084 2.126) 2.987 3.643 ( -0.243 2.084 2.126) 2.987 3.643 ( 1.729 2.253 2.126) 3.547 3.949 ( -2.790 -4.009 0.625) 4.924 3.949 ( 2.083 -3.900 0.625) 4.465 3.949 ( -2.083 3.900 0.625) 4.465 3.949 ( 2.790 4.009 0.625) 4.924 4.310 ( -3.944 -7.197 -3.708) 9.006 4.310 ( 3.795 -7.177 -3.708) 8.926 4.310 ( -3.795 7.177 -3.708) 8.926 4.310 ( 3.944 7.197 -3.708) 9.006 4.731 ( -2.614 -5.499 -0.663) 6.125 4.731 ( -0.620 -5.350 -0.663) 5.427 4.731 ( 0.620 5.350 -0.663) 5.427 4.731 ( 2.614 5.499 -0.663) 6.125 5.076 ( -4.433 -3.416 -2.362) 6.074 5.076 ( 0.523 -2.613 -2.362) 3.561 5.076 ( -0.523 2.613 -2.362) 3.561 5.076 ( 4.433 3.416 -2.362) 6.074 5.410 ( -4.268 -3.309 -2.895) 6.128 5.410 ( 2.830 -2.897 -2.895) 4.979 5.410 ( -2.830 2.897 -2.895) 4.979 5.410 ( 4.268 3.309 -2.895) 6.128 5.901 ( -1.940 -6.265 0.910) 6.621 5.901 ( 1.936 -6.264 0.910) 6.619 5.901 ( -1.936 6.264 0.910) 6.619 5.901 ( 1.940 6.265 0.910) 6.621 6.178 ( -0.715 -2.062 2.668) 3.447 6.178 ( 0.570 -2.051 2.668) 3.413 6.178 ( -0.570 2.051 2.668) 3.413 6.178 ( 0.715 2.062 2.668) 3.447 6.881 ( -4.936 -1.645 2.946) 5.979 6.881 ( -3.912 -0.662 2.946) 4.942 6.881 ( 3.912 0.662 2.946) 4.942 6.881 ( 4.936 1.645 2.946) 5.979 7.306 ( -10.876 -4.150 0.786) 11.667 7.306 ( -7.185 0.747 0.786) 7.266 7.306 ( 7.185 -0.747 0.786) 7.266 7.306 ( 10.876 4.150 0.786) 11.667 7.645 ( -7.532 -6.867 0.305) 10.197 7.645 ( 5.568 -6.382 0.305) 8.475 7.645 ( -5.568 6.382 0.305) 8.475 7.645 ( 7.532 6.867 0.305) 10.197 8.050 ( -6.756 -3.902 0.625) 7.827 8.050 ( 1.817 -2.155 0.625) 2.887 8.050 ( -1.817 2.155 0.625) 2.887 8.050 ( 6.756 3.902 0.625) 7.827 8.713 ( -2.406 -1.480 2.353) 3.676 8.713 ( 1.893 -1.280 2.353) 3.280 8.713 ( -1.893 1.280 2.353) 3.280 8.713 ( 2.406 1.480 2.353) 3.676 9.106 ( -7.872 -1.213 -3.466) 8.686 9.106 ( -7.523 -0.360 -3.466) 8.291 9.106 ( 7.523 0.360 -3.466) 8.291 9.106 ( 7.872 1.213 -3.466) 8.686 9.525 ( -4.330 -3.132 -6.820) 8.664 9.525 ( 0.832 -2.301 -6.820) 7.245 9.525 ( -0.832 2.301 -6.820) 7.245 9.525 ( 4.330 3.132 -6.820) 8.664 11.074 ( -4.679 -2.771 3.196) 6.308 11.074 ( 3.684 -2.366 3.196) 5.421 11.074 ( -3.684 2.366 3.196) 5.421 11.074 ( 4.679 2.771 3.196) 6.308 11.343 ( -6.694 -7.866 -1.649) 10.460 11.343 ( 6.199 -7.764 -1.649) 10.072 11.343 ( -6.199 7.764 -1.649) 10.072 11.343 ( 6.694 7.866 -1.649) 10.460 12.048 ( -3.561 -2.121 -3.986) 5.751 12.048 ( -1.875 -1.486 -3.986) 4.649 12.048 ( 1.875 1.486 -3.986) 4.649 12.048 ( 3.561 2.121 -3.986) 5.751 12.511 ( -3.065 -7.607 1.917) 8.422 12.511 ( 2.698 -7.572 1.917) 8.264 12.511 ( -2.698 7.572 1.917) 8.264 12.511 ( 3.065 7.607 1.917) 8.422 12.928 ( -2.900 -2.559 3.490) 5.209 12.928 ( 1.623 -2.260 3.490) 4.463 12.928 ( -1.623 2.260 3.490) 4.463 12.928 ( 2.900 2.559 3.490) 5.209 14.362 ( -7.145 -1.876 0.840) 7.435 14.362 ( -6.333 0.885 0.840) 6.450 14.362 ( 6.333 -0.885 0.840) 6.450 14.362 ( 7.145 1.876 0.840) 7.435 15.470 ( -1.752 -3.418 -14.484) 14.985 15.470 ( 1.348 -3.372 -14.484) 14.933 15.470 ( -1.348 3.372 -14.484) 14.933 15.470 ( 1.752 3.418 -14.484) 14.985 20.487 ( -4.095 -2.312 -2.914) 5.532 20.487 ( -2.426 -1.619 -2.914) 4.123 20.487 ( 2.426 1.619 -2.914) 4.123 20.487 ( 4.095 2.312 -2.914) 5.532 21.372 ( -3.003 -3.399 8.180) 9.353 21.372 ( 2.681 -3.330 8.180) 9.230 21.372 ( -2.681 3.330 8.180) 9.230 21.372 ( 3.003 3.399 8.180) 9.353 22.010 ( -1.858 -3.877 -2.411) 4.930 22.010 ( 1.655 -3.854 -2.411) 4.838 22.010 ( -1.655 3.854 -2.411) 4.838 22.010 ( 1.858 3.877 -2.411) 4.930 22.627 ( -3.378 -2.870 -7.275) 8.519 22.627 ( 1.761 -2.482 -7.275) 7.885 22.627 ( -1.761 2.482 -7.275) 7.885 22.627 ( 3.378 2.870 -7.275) 8.519 23.172 ( -0.841 -5.287 5.813) 7.902 23.172 ( 0.502 -5.276 5.813) 7.866 23.172 ( -0.502 5.276 5.813) 7.866 23.172 ( 0.841 5.287 5.813) 7.902 23.720 ( -8.943 -5.803 1.785) 10.809 23.720 ( 3.343 -4.060 1.785) 5.554 23.720 ( -3.343 4.060 1.785) 5.554 23.720 ( 8.943 5.803 1.785) 10.809 25.429 ( -3.754 -1.495 -1.375) 4.269 25.429 ( -2.381 0.359 -1.375) 2.772 25.429 ( 2.381 -0.359 -1.375) 2.772 25.429 ( 3.754 1.495 -1.375) 4.269 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 0.000 20.544) 20.544 1.883 ( 0.000 0.000 25.233) 25.233 2.112 ( 0.000 0.000 -20.229) 20.229 2.113 ( 0.000 0.000 3.528) 3.528 2.131 ( 0.000 0.000 10.821) 10.821 2.296 ( 0.000 0.000 8.805) 8.805 2.350 ( 0.000 0.000 7.283) 7.283 2.417 ( 0.000 0.000 0.715) 0.715 2.425 ( 0.000 0.000 -17.845) 17.845 2.604 ( 0.000 0.000 10.975) 10.975 2.829 ( 0.000 0.000 4.862) 4.862 3.027 ( 0.000 0.000 -3.267) 3.267 3.049 ( 0.000 0.000 4.797) 4.797 3.100 ( 0.000 0.000 -6.699) 6.699 3.203 ( 0.000 0.000 -9.361) 9.361 3.213 ( 0.000 0.000 18.741) 18.741 3.430 ( 0.000 0.000 -0.822) 0.822 3.525 ( 0.000 0.000 10.331) 10.331 3.556 ( 0.000 0.000 -9.248) 9.248 3.589 ( 0.000 0.000 -1.636) 1.636 3.771 ( 0.000 0.000 -17.958) 17.958 3.829 ( 0.000 0.000 -13.944) 13.944 3.878 ( 0.000 0.000 11.932) 11.932 3.965 ( 0.000 0.000 -17.685) 17.685 4.019 ( 0.000 0.000 2.839) 2.839 4.055 ( 0.000 0.000 0.802) 0.802 4.364 ( 0.000 0.000 -3.848) 3.848 4.408 ( 0.000 0.000 5.668) 5.668 4.428 ( 0.000 0.000 3.121) 3.121 4.565 ( 0.000 0.000 -1.832) 1.832 4.628 ( 0.000 0.000 2.258) 2.258 4.662 ( 0.000 0.000 2.030) 2.030 4.902 ( 0.000 0.000 -4.731) 4.731 4.970 ( 0.000 0.000 -8.487) 8.487 5.244 ( 0.000 0.000 -0.910) 0.910 5.277 ( 0.000 0.000 -2.012) 2.012 5.379 ( 0.000 0.000 1.109) 1.109 5.528 ( 0.000 0.000 -3.011) 3.011 5.554 ( 0.000 0.000 -2.785) 2.785 5.674 ( 0.000 0.000 -0.466) 0.466 5.895 ( 0.000 0.000 -0.740) 0.740 5.952 ( 0.000 0.000 0.316) 0.316 6.136 ( 0.000 0.000 9.132) 9.132 6.246 ( 0.000 0.000 -7.312) 7.312 6.248 ( 0.000 0.000 5.341) 5.341 6.268 ( 0.000 0.000 2.301) 2.301 6.350 ( 0.000 0.000 -7.899) 7.899 6.379 ( 0.000 0.000 6.771) 6.771 6.380 ( 0.000 0.000 2.636) 2.636 6.517 ( 0.000 0.000 10.128) 10.128 6.733 ( 0.000 0.000 6.499) 6.499 6.771 ( 0.000 0.000 -2.565) 2.565 6.826 ( 0.000 0.000 -0.701) 0.701 6.885 ( 0.000 0.000 -2.393) 2.393 7.337 ( 0.000 0.000 -2.641) 2.641 7.351 ( 0.000 0.000 -1.067) 1.067 7.700 ( 0.000 0.000 2.249) 2.249 7.789 ( 0.000 0.000 3.578) 3.578 7.889 ( 0.000 0.000 2.581) 2.581 8.022 ( 0.000 0.000 -1.957) 1.957 8.116 ( 0.000 0.000 -5.583) 5.583 8.272 ( 0.000 0.000 4.869) 4.869 8.391 ( 0.000 0.000 -3.846) 3.846 8.405 ( 0.000 0.000 -3.388) 3.388 8.563 ( 0.000 0.000 1.784) 1.784 8.638 ( 0.000 0.000 7.750) 7.750 8.735 ( 0.000 0.000 -13.696) 13.696 8.741 ( 0.000 0.000 -1.224) 1.224 8.803 ( 0.000 0.000 -9.268) 9.268 8.888 ( 0.000 0.000 2.728) 2.728 9.023 ( 0.000 0.000 2.705) 2.705 9.132 ( 0.000 0.000 1.043) 1.043 9.245 ( 0.000 0.000 -8.846) 8.846 9.371 ( 0.000 0.000 -2.191) 2.191 9.587 ( 0.000 0.000 -7.043) 7.043 9.638 ( 0.000 0.000 -5.183) 5.183 11.020 ( 0.000 0.000 7.278) 7.278 11.025 ( 0.000 0.000 1.341) 1.341 11.085 ( 0.000 0.000 -0.564) 0.564 11.308 ( 0.000 0.000 1.945) 1.945 11.435 ( 0.000 0.000 1.811) 1.811 11.457 ( 0.000 0.000 0.535) 0.535 11.519 ( 0.000 0.000 1.513) 1.513 11.551 ( 0.000 0.000 -0.278) 0.278 11.637 ( 0.000 0.000 5.291) 5.291 11.711 ( 0.000 0.000 -0.560) 0.560 11.986 ( 0.000 0.000 3.858) 3.858 12.057 ( 0.000 0.000 1.882) 1.882 12.078 ( 0.000 0.000 -0.577) 0.577 12.239 ( 0.000 0.000 -0.868) 0.868 12.421 ( 0.000 0.000 -2.910) 2.910 12.555 ( 0.000 0.000 2.024) 2.024 12.940 ( 0.000 0.000 0.607) 0.607 12.967 ( 0.000 0.000 4.476) 4.476 13.000 ( 0.000 0.000 4.365) 4.365 13.019 ( 0.000 0.000 0.054) 0.054 14.258 ( 0.000 0.000 -2.118) 2.118 14.544 ( 0.000 0.000 1.159) 1.159 14.798 ( 0.000 0.000 -3.620) 3.620 14.875 ( 0.000 0.000 -12.266) 12.266 14.893 ( 0.000 0.000 2.016) 2.016 14.918 ( 0.000 0.000 -19.878) 19.878 14.994 ( 0.000 0.000 -9.183) 9.183 15.397 ( 0.000 0.000 -7.081) 7.081 20.323 ( 0.000 0.000 0.293) 0.293 20.415 ( 0.000 0.000 -0.929) 0.929 20.514 ( 0.000 0.000 -1.790) 1.790 20.706 ( 0.000 0.000 -8.913) 8.913 21.297 ( 0.000 0.000 4.965) 4.965 21.500 ( 0.000 0.000 -0.303) 0.303 21.672 ( 0.000 0.000 0.399) 0.399 21.726 ( 0.000 0.000 -1.292) 1.292 21.739 ( 0.000 0.000 2.881) 2.881 21.770 ( 0.000 0.000 3.747) 3.747 21.881 ( 0.000 0.000 -0.464) 0.464 22.075 ( 0.000 0.000 -2.808) 2.808 22.171 ( 0.000 0.000 1.739) 1.739 22.431 ( 0.000 0.000 -2.044) 2.044 22.537 ( 0.000 0.000 -6.618) 6.618 22.598 ( 0.000 0.000 -4.979) 4.979 23.017 ( 0.000 0.000 3.484) 3.484 23.122 ( 0.000 0.000 1.642) 1.642 23.263 ( 0.000 0.000 -1.107) 1.107 23.515 ( 0.000 0.000 -7.710) 7.710 23.687 ( 0.000 0.000 10.994) 10.994 23.707 ( 0.000 0.000 9.918) 9.918 23.900 ( 0.000 0.000 6.136) 6.136 24.465 ( 0.000 0.000 -7.018) 7.018 25.325 ( 0.000 0.000 -0.284) 0.284 25.343 ( 0.000 0.000 1.912) 1.912 25.411 ( 0.000 0.000 -1.657) 1.657 25.553 ( 0.000 0.000 -2.939) 2.939 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 2.989 0.000 19.610) 19.837 1.880 ( -16.233 0.000 11.147) 19.692 1.881 ( 0.515 0.000 19.553) 19.559 2.031 ( -6.685 0.000 7.225) 9.843 2.154 ( 3.801 0.000 -15.713) 16.167 2.316 ( -5.050 0.000 -8.166) 9.601 2.411 ( 5.169 0.000 3.720) 6.369 2.522 ( 14.288 0.000 12.330) 18.873 2.528 ( 3.879 0.000 -7.037) 8.035 2.742 ( 11.972 0.000 2.360) 12.202 2.806 ( -0.905 0.000 2.563) 2.718 2.964 ( -6.302 0.000 -3.195) 7.066 3.003 ( -3.450 0.000 11.877) 12.368 3.102 ( 2.232 0.000 -5.095) 5.562 3.207 ( -1.838 0.000 -7.806) 8.019 3.228 ( 1.405 0.000 14.177) 14.247 3.415 ( -7.171 0.000 7.396) 10.302 3.490 ( 5.939 0.000 -1.705) 6.179 3.595 ( -16.065 0.000 9.711) 18.772 3.607 ( 0.941 0.000 -2.512) 2.682 3.643 ( 4.326 0.000 -5.268) 6.817 3.825 ( 0.564 0.000 -17.238) 17.248 3.857 ( 0.318 0.000 -15.017) 15.020 3.993 ( -0.360 0.000 -12.603) 12.608 4.023 ( 0.494 0.000 2.847) 2.890 4.052 ( -0.435 0.000 1.293) 1.364 4.418 ( -0.589 0.000 2.319) 2.392 4.454 ( 8.623 0.000 -6.039) 10.527 4.476 ( 5.742 0.000 5.526) 7.969 4.492 ( -4.732 0.000 -0.210) 4.736 4.621 ( -0.697 0.000 2.754) 2.840 4.757 ( 6.872 0.000 0.542) 6.893 4.874 ( -9.368 0.000 -7.511) 12.007 4.904 ( -0.305 0.000 -3.339) 3.353 5.231 ( -0.997 0.000 -1.401) 1.719 5.259 ( -1.792 0.000 -2.234) 2.864 5.366 ( -0.825 0.000 0.327) 0.887 5.447 ( -4.579 0.000 -0.802) 4.648 5.637 ( 2.883 0.000 -5.119) 5.875 5.667 ( 1.448 0.000 0.046) 1.448 5.877 ( -3.764 0.000 0.183) 3.768 5.938 ( 0.429 0.000 3.078) 3.108 6.108 ( -0.333 0.000 4.393) 4.406 6.237 ( -1.758 0.000 -1.833) 2.539 6.243 ( -0.372 0.000 3.820) 3.838 6.255 ( -0.691 0.000 5.045) 5.092 6.362 ( 1.601 0.000 0.453) 1.664 6.423 ( -0.381 0.000 -3.641) 3.661 6.454 ( 6.798 0.000 0.884) 6.856 6.522 ( 2.815 0.000 6.842) 7.398 6.648 ( -4.703 0.000 7.384) 8.755 6.722 ( -5.188 0.000 -2.040) 5.574 6.985 ( 16.762 0.000 -2.177) 16.903 7.065 ( 13.218 0.000 -0.995) 13.256 7.339 ( 0.204 0.000 -2.627) 2.635 7.349 ( -0.218 0.000 -1.507) 1.523 7.621 ( -7.889 0.000 3.148) 8.494 7.786 ( 0.216 0.000 3.590) 3.597 7.843 ( -16.963 0.000 0.015) 16.963 7.864 ( -2.564 0.000 2.147) 3.344 8.136 ( 2.187 0.000 -2.712) 3.483 8.247 ( -2.534 0.000 4.016) 4.748 8.265 ( -7.546 0.000 0.782) 7.586 8.324 ( -8.675 0.000 0.111) 8.676 8.533 ( 0.614 0.000 -0.583) 0.847 8.694 ( -5.451 0.000 -1.606) 5.683 8.758 ( 2.195 0.000 -14.229) 14.398 8.761 ( 9.257 0.000 4.936) 10.491 8.808 ( 0.152 0.000 -10.698) 10.699 8.940 ( 3.478 0.000 2.226) 4.130 9.113 ( 8.288 0.000 -0.104) 8.288 9.206 ( 4.555 0.000 -1.028) 4.669 9.302 ( 2.646 0.000 -4.614) 5.319 9.385 ( 2.454 0.000 -3.322) 4.131 9.530 ( -3.630 0.000 -8.040) 8.821 9.640 ( -0.936 0.000 -6.127) 6.198 10.981 ( -1.156 0.000 4.502) 4.648 11.031 ( -2.329 0.000 3.014) 3.809 11.120 ( 4.306 0.000 1.041) 4.430 11.280 ( -2.974 0.000 1.548) 3.353 11.451 ( 1.565 0.000 1.454) 2.136 11.488 ( 0.924 0.000 -1.419) 1.694 11.538 ( 2.676 0.000 1.069) 2.882 11.560 ( 1.110 0.000 -0.116) 1.116 11.645 ( 0.807 0.000 4.810) 4.877 11.692 ( -1.577 0.000 1.092) 1.918 11.928 ( -1.204 0.000 2.617) 2.881 12.103 ( 4.186 0.000 1.105) 4.329 12.124 ( -0.726 0.000 -4.464) 4.522 12.225 ( -1.552 0.000 -0.548) 1.646 12.401 ( 0.061 0.000 1.216) 1.217 12.530 ( -2.790 0.000 2.739) 3.910 12.948 ( 0.743 0.000 0.901) 1.168 12.967 ( -0.085 0.000 3.995) 3.996 13.000 ( 0.017 0.000 3.921) 3.921 13.014 ( -0.551 0.000 0.463) 0.720 14.308 ( 5.424 0.000 -2.428) 5.942 14.572 ( 2.944 0.000 1.031) 3.119 14.656 ( -12.281 0.000 -4.421) 13.052 14.744 ( -4.969 0.000 -1.756) 5.271 14.943 ( 2.293 0.000 -18.881) 19.019 15.000 ( 0.115 0.000 -11.643) 11.644 15.094 ( 10.407 0.000 -5.686) 11.859 15.362 ( -3.860 0.000 -6.931) 7.933 20.368 ( 4.252 0.000 -0.339) 4.265 20.429 ( 1.290 0.000 -0.733) 1.483 20.515 ( 0.386 0.000 -2.983) 3.007 20.660 ( -4.713 0.000 -8.366) 9.603 21.317 ( 2.376 0.000 4.871) 5.420 21.473 ( -3.649 0.000 1.781) 4.061 21.652 ( 0.375 0.000 -1.139) 1.199 21.734 ( -0.763 0.000 -2.292) 2.416 21.743 ( 0.373 0.000 2.983) 3.006 21.765 ( -0.574 0.000 3.589) 3.634 21.894 ( 1.450 0.000 -0.503) 1.535 22.006 ( -4.595 0.000 -1.110) 4.727 22.262 ( 6.918 0.000 -0.506) 6.937 22.463 ( 3.229 0.000 -1.898) 3.745 22.494 ( -4.418 0.000 -5.175) 6.804 22.582 ( -1.806 0.000 -4.040) 4.425 23.027 ( 1.148 0.000 3.039) 3.249 23.102 ( -2.020 0.000 1.762) 2.680 23.306 ( 4.290 0.000 -2.568) 5.000 23.483 ( -3.440 0.000 -7.052) 7.846 23.683 ( 0.097 0.000 10.465) 10.465 23.708 ( -0.371 0.000 10.562) 10.569 23.968 ( 7.252 0.000 5.305) 8.985 24.359 ( -10.296 0.000 -3.159) 10.770 25.336 ( 1.267 0.000 -0.324) 1.308 25.377 ( 1.466 0.000 0.193) 1.478 25.414 ( 1.582 0.000 -1.538) 2.207 25.533 ( -2.183 0.000 -2.751) 3.512 ======================= Grid point 107 (39/72) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -10.552 0.000 15.686) 18.905 1.628 ( 10.552 0.000 15.686) 18.905 1.923 ( -4.342 0.000 12.665) 13.389 1.923 ( 4.342 0.000 12.665) 13.389 2.230 ( -4.365 0.000 -10.759) 11.611 2.230 ( 4.365 0.000 -10.759) 11.611 2.512 ( -4.798 0.000 -0.602) 4.836 2.512 ( 4.798 0.000 -0.602) 4.836 2.756 ( -10.164 0.000 6.505) 12.067 2.756 ( 10.164 0.000 6.505) 12.067 2.851 ( -5.394 0.000 -2.302) 5.864 2.851 ( 5.394 0.000 -2.302) 5.864 3.135 ( -14.858 0.000 8.001) 16.875 3.135 ( 14.858 0.000 8.001) 16.875 3.154 ( -3.172 0.000 -5.075) 5.985 3.154 ( 3.172 0.000 -5.075) 5.985 3.363 ( -5.634 0.000 16.326) 17.271 3.363 ( 5.634 0.000 16.326) 17.271 3.588 ( -3.519 0.000 -2.993) 4.620 3.588 ( 3.519 0.000 -2.993) 4.620 3.742 ( -5.666 0.000 -10.158) 11.631 3.742 ( 5.666 0.000 -10.158) 11.631 3.942 ( -4.675 0.000 -16.856) 17.492 3.942 ( 4.675 0.000 -16.856) 17.492 4.038 ( -1.015 0.000 2.361) 2.570 4.038 ( 1.015 0.000 2.361) 2.570 4.427 ( -2.022 0.000 0.913) 2.219 4.427 ( 2.022 0.000 0.913) 2.219 4.557 ( -1.966 0.000 0.415) 2.009 4.557 ( 1.966 0.000 0.415) 2.009 4.679 ( -10.298 0.000 -3.718) 10.949 4.679 ( 10.298 0.000 -3.718) 10.949 4.866 ( -4.322 0.000 -0.784) 4.392 4.866 ( 4.322 0.000 -0.784) 4.392 5.228 ( -0.986 0.000 -2.308) 2.510 5.228 ( 0.986 0.000 -2.308) 2.510 5.378 ( -2.514 0.000 0.409) 2.547 5.378 ( 2.514 0.000 0.409) 2.547 5.671 ( -2.049 0.000 -4.219) 4.690 5.671 ( 2.049 0.000 -4.219) 4.690 5.887 ( -4.207 0.000 4.383) 6.076 5.887 ( 4.207 0.000 4.383) 6.076 6.168 ( -5.118 0.000 0.939) 5.203 6.168 ( 5.118 0.000 0.939) 5.203 6.244 ( -0.463 0.000 4.659) 4.682 6.244 ( 0.463 0.000 4.659) 4.682 6.391 ( -1.695 0.000 -1.523) 2.279 6.391 ( 1.695 0.000 -1.523) 2.279 6.585 ( -3.067 0.000 6.669) 7.340 6.585 ( 3.067 0.000 6.669) 7.340 6.595 ( -8.031 0.000 -0.807) 8.071 6.595 ( 8.031 0.000 -0.807) 8.071 7.247 ( -0.934 0.000 -5.163) 5.247 7.247 ( 0.934 0.000 -5.163) 5.247 7.344 ( -0.288 0.000 -2.242) 2.261 7.344 ( 0.288 0.000 -2.242) 2.261 7.536 ( -8.420 0.000 4.838) 9.711 7.536 ( 8.420 0.000 4.838) 9.711 7.811 ( -2.547 0.000 2.785) 3.774 7.811 ( 2.547 0.000 2.785) 3.774 8.190 ( -3.410 0.000 1.435) 3.700 8.190 ( 3.410 0.000 1.435) 3.700 8.208 ( -2.152 0.000 2.693) 3.447 8.208 ( 2.152 0.000 2.693) 3.447 8.590 ( -4.934 0.000 -1.815) 5.257 8.590 ( 4.934 0.000 -1.815) 5.257 8.796 ( -1.540 0.000 -13.390) 13.478 8.796 ( 1.540 0.000 -13.390) 13.478 8.912 ( -6.001 0.000 2.869) 6.652 8.912 ( 6.001 0.000 2.869) 6.652 9.273 ( -1.648 0.000 -1.152) 2.011 9.273 ( 1.648 0.000 -1.152) 2.011 9.307 ( -7.569 0.000 -3.226) 8.228 9.307 ( 7.569 0.000 -3.226) 8.228 9.583 ( -5.416 0.000 -8.180) 9.810 9.583 ( 5.416 0.000 -8.180) 9.810 10.987 ( -1.736 0.000 3.882) 4.252 10.987 ( 1.736 0.000 3.882) 4.252 11.207 ( -4.708 0.000 1.256) 4.873 11.207 ( 4.708 0.000 1.256) 4.873 11.480 ( -1.291 0.000 0.199) 1.306 11.480 ( 1.291 0.000 0.199) 1.306 11.571 ( -0.922 0.000 -0.040) 0.923 11.571 ( 0.922 0.000 -0.040) 0.923 11.665 ( -1.329 0.000 3.394) 3.645 11.665 ( 1.329 0.000 3.394) 3.645 12.011 ( -8.681 0.000 -3.921) 9.526 12.011 ( 8.681 0.000 -3.921) 9.526 12.179 ( -3.552 0.000 0.167) 3.556 12.179 ( 3.552 0.000 0.167) 3.556 12.458 ( -4.677 0.000 3.862) 6.065 12.458 ( 4.677 0.000 3.862) 6.065 12.961 ( -0.601 0.000 2.338) 2.414 12.961 ( 0.601 0.000 2.338) 2.414 13.004 ( -0.424 0.000 2.191) 2.232 13.004 ( 0.424 0.000 2.191) 2.232 14.450 ( -9.901 0.000 -3.261) 10.424 14.450 ( 9.901 0.000 -3.261) 10.424 14.647 ( -5.075 0.000 0.289) 5.083 14.647 ( 5.075 0.000 0.289) 5.083 14.984 ( -1.827 0.000 -15.780) 15.885 14.984 ( 1.827 0.000 -15.780) 15.885 15.258 ( -7.443 0.000 -6.481) 9.869 15.258 ( 7.443 0.000 -6.481) 9.869 20.433 ( -1.723 0.000 -0.089) 1.725 20.433 ( 1.723 0.000 -0.089) 1.725 20.560 ( -5.049 0.000 -6.654) 8.353 20.560 ( 5.049 0.000 -6.654) 8.353 21.385 ( -4.880 0.000 4.121) 6.388 21.385 ( 4.880 0.000 4.121) 6.388 21.693 ( -3.127 0.000 -2.742) 4.159 21.693 ( 3.127 0.000 -2.742) 4.159 21.752 ( -0.661 0.000 3.258) 3.324 21.752 ( 0.661 0.000 3.258) 3.324 21.935 ( -3.070 0.000 -0.644) 3.137 21.935 ( 3.070 0.000 -0.644) 3.137 22.389 ( -6.684 0.000 -2.620) 7.179 22.389 ( 6.684 0.000 -2.620) 7.179 22.531 ( -3.673 0.000 -2.460) 4.421 22.531 ( 3.673 0.000 -2.460) 4.421 23.060 ( -2.288 0.000 2.233) 3.197 23.060 ( 2.288 0.000 2.233) 3.197 23.399 ( -5.330 0.000 -5.166) 7.422 23.399 ( 5.330 0.000 -5.166) 7.422 23.694 ( -0.927 0.000 10.538) 10.579 23.694 ( 0.927 0.000 10.538) 10.579 24.147 ( -11.640 0.000 2.384) 11.881 24.147 ( 11.640 0.000 2.384) 11.881 25.364 ( -1.609 0.000 -0.638) 1.731 25.364 ( 1.609 0.000 -0.638) 1.731 25.477 ( -3.804 0.000 -2.098) 4.344 25.477 ( 3.804 0.000 -2.098) 4.344 ======================= Grid point 110 (40/72) ======================= q-point: ( 0.00 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 3.646 17.715) 18.087 1.659 ( 0.000 -13.470 22.720) 26.413 2.018 ( 0.000 -3.486 -7.508) 8.278 2.083 ( 0.000 -2.492 3.964) 4.682 2.229 ( 0.000 1.416 1.218) 1.868 2.326 ( 0.000 -1.947 9.466) 9.664 2.351 ( 0.000 1.675 0.991) 1.946 2.456 ( 0.000 1.394 -12.540) 12.618 2.473 ( 0.000 5.471 -1.422) 5.653 2.649 ( 0.000 -9.646 0.454) 9.657 2.887 ( 0.000 19.729 15.892) 25.334 2.941 ( 0.000 -6.735 -6.757) 9.540 2.998 ( 0.000 -6.618 0.189) 6.621 3.155 ( 0.000 3.909 1.256) 4.106 3.185 ( 0.000 -0.627 2.038) 2.133 3.246 ( 0.000 2.086 6.673) 6.992 3.433 ( 0.000 -4.173 -1.887) 4.580 3.440 ( 0.000 1.437 1.662) 2.197 3.590 ( 0.000 5.398 6.686) 8.593 3.617 ( 0.000 -1.206 -1.684) 2.071 3.806 ( 0.000 -1.695 -13.459) 13.566 3.859 ( 0.000 6.849 -17.704) 18.983 3.975 ( 0.000 6.283 10.617) 12.337 3.983 ( 0.000 2.932 -13.458) 13.773 4.076 ( 0.000 0.137 -2.719) 2.723 4.078 ( 0.000 5.979 -1.340) 6.127 4.347 ( 0.000 -0.824 -3.442) 3.539 4.431 ( 0.000 0.022 0.893) 0.894 4.432 ( 0.000 1.911 4.424) 4.819 4.467 ( 0.000 -5.866 0.141) 5.868 4.672 ( 0.000 1.652 -0.307) 1.680 4.680 ( 0.000 1.386 2.352) 2.730 4.939 ( 0.000 3.434 -2.519) 4.259 4.980 ( 0.000 0.667 -7.945) 7.973 5.205 ( 0.000 -3.353 -0.060) 3.353 5.218 ( 0.000 -3.295 0.198) 3.301 5.430 ( 0.000 2.512 -0.397) 2.543 5.520 ( 0.000 -1.124 -1.448) 1.833 5.609 ( 0.000 2.783 -7.094) 7.620 5.700 ( 0.000 2.492 -0.499) 2.541 5.726 ( 0.000 -13.117 0.916) 13.148 5.912 ( 0.000 -1.793 1.156) 2.134 5.981 ( 0.000 -8.066 7.487) 11.005 6.187 ( 0.000 -4.028 -3.437) 5.295 6.260 ( 0.000 0.066 2.383) 2.384 6.290 ( 0.000 -3.706 -5.490) 6.624 6.404 ( 0.000 -0.271 4.308) 4.316 6.444 ( 0.000 7.677 4.616) 8.958 6.527 ( 0.000 9.656 1.020) 9.710 6.569 ( 0.000 6.172 8.925) 10.852 6.627 ( 0.000 -2.916 2.505) 3.844 6.822 ( 0.000 0.231 -2.506) 2.516 6.866 ( 0.000 4.570 0.221) 4.575 6.950 ( 0.000 5.655 2.143) 6.047 7.355 ( 0.000 1.615 -2.260) 2.778 7.386 ( 0.000 3.116 0.530) 3.161 7.727 ( 0.000 2.620 1.406) 2.973 7.795 ( 0.000 0.453 3.419) 3.449 7.864 ( 0.000 -3.089 0.060) 3.089 7.995 ( 0.000 -2.785 0.140) 2.788 8.083 ( 0.000 -2.133 -1.649) 2.696 8.238 ( 0.000 -2.912 3.610) 4.638 8.270 ( 0.000 -10.997 -3.983) 11.696 8.451 ( 0.000 5.042 -3.592) 6.191 8.493 ( 0.000 -5.173 -0.700) 5.221 8.656 ( 0.000 1.605 7.431) 7.602 8.750 ( 0.000 -0.984 -3.740) 3.868 8.764 ( 0.000 2.154 -0.487) 2.208 8.831 ( 0.000 1.430 -0.804) 1.640 8.886 ( 0.000 0.046 0.052) 0.069 9.036 ( 0.000 2.160 -5.338) 5.759 9.145 ( 0.000 1.059 0.042) 1.060 9.229 ( 0.000 -1.350 -8.619) 8.724 9.355 ( 0.000 -1.205 -3.157) 3.379 9.529 ( 0.000 -4.668 -6.623) 8.103 9.609 ( 0.000 -2.582 -5.381) 5.968 11.034 ( 0.000 1.331 6.384) 6.521 11.063 ( 0.000 3.363 1.110) 3.541 11.138 ( 0.000 1.337 2.823) 3.124 11.297 ( 0.000 -3.594 -0.142) 3.597 11.319 ( 0.000 -0.850 3.383) 3.488 11.363 ( 0.000 -5.101 -2.459) 5.663 11.462 ( 0.000 -4.671 0.866) 4.750 11.504 ( 0.000 -2.950 -0.665) 3.024 11.763 ( 0.000 3.366 1.623) 3.737 11.846 ( 0.000 9.242 0.338) 9.249 12.013 ( 0.000 1.107 1.204) 1.635 12.047 ( 0.000 2.887 4.757) 5.564 12.074 ( 0.000 -0.568 -6.855) 6.878 12.296 ( 0.000 6.119 1.931) 6.417 12.534 ( 0.000 -1.203 -0.308) 1.242 12.572 ( 0.000 10.893 -2.304) 11.134 12.935 ( 0.000 0.153 2.563) 2.567 12.979 ( 0.000 -0.774 4.212) 4.282 13.000 ( 0.000 -1.803 1.381) 2.271 13.040 ( 0.000 4.394 5.896) 7.353 14.228 ( 0.000 -2.569 -1.941) 3.220 14.483 ( 0.000 -5.877 1.290) 6.017 14.652 ( 0.000 -7.493 -1.464) 7.634 14.780 ( 0.000 -6.532 -3.994) 7.656 15.006 ( 0.000 6.399 -14.076) 15.462 15.011 ( 0.000 4.700 -13.698) 14.482 15.025 ( 0.000 2.955 -9.860) 10.293 15.390 ( 0.000 -1.056 -8.537) 8.602 20.324 ( 0.000 0.082 -0.021) 0.084 20.401 ( 0.000 -1.264 -0.968) 1.592 20.510 ( 0.000 -0.324 -1.840) 1.869 20.665 ( 0.000 -3.591 -7.329) 8.162 21.317 ( 0.000 1.913 5.277) 5.613 21.495 ( 0.000 -0.396 1.494) 1.545 21.645 ( 0.000 -1.864 2.752) 3.324 21.672 ( 0.000 -3.388 3.195) 4.657 21.787 ( 0.000 3.589 1.166) 3.773 21.822 ( 0.000 4.417 1.448) 4.648 21.920 ( 0.000 2.830 -1.893) 3.405 22.070 ( 0.000 -0.593 -2.571) 2.638 22.222 ( 0.000 4.061 -1.362) 4.283 22.460 ( 0.000 2.700 -3.069) 4.087 22.546 ( 0.000 0.507 -7.403) 7.420 22.572 ( 0.000 -2.152 -4.824) 5.282 23.054 ( 0.000 3.470 3.522) 4.945 23.146 ( 0.000 2.254 2.101) 3.081 23.276 ( 0.000 1.186 -0.457) 1.271 23.500 ( 0.000 -1.918 -4.376) 4.777 23.651 ( 0.000 -3.264 10.191) 10.702 23.697 ( 0.000 -0.552 6.804) 6.826 23.849 ( 0.000 -4.444 5.558) 7.117 24.362 ( 0.000 -9.390 -5.446) 10.855 25.324 ( 0.000 -0.056 -0.171) 0.180 25.342 ( 0.000 -0.132 1.664) 1.670 25.416 ( 0.000 0.525 -1.739) 1.816 25.538 ( 0.000 -1.371 -2.829) 3.143 ======================= Grid point 111 (41/72) ======================= q-point: ( 0.25 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 1.731 -0.174 16.040) 16.134 1.771 ( 6.814 -4.570 18.451) 20.193 1.880 ( -11.518 -1.772 7.668) 13.950 2.046 ( -3.943 0.899 7.970) 8.937 2.153 ( 0.156 -0.178 -9.569) 9.572 2.308 ( -3.135 -3.748 3.499) 6.010 2.400 ( 0.588 1.390 -4.631) 4.870 2.497 ( 2.374 -0.915 -9.126) 9.474 2.609 ( 10.951 4.376 3.098) 12.193 2.631 ( -0.067 -11.202 2.181) 11.413 2.831 ( -4.501 -6.674 -3.534) 8.791 2.966 ( 2.637 12.603 8.858) 15.629 3.022 ( 0.179 -3.471 2.005) 4.012 3.144 ( 1.563 5.122 5.801) 7.895 3.180 ( -1.279 -1.304 -1.938) 2.663 3.275 ( 2.263 4.351 7.341) 8.828 3.418 ( 0.122 -1.287 0.166) 1.304 3.485 ( -2.337 3.016 4.811) 6.140 3.540 ( 1.192 0.883 -0.371) 1.529 3.619 ( -3.574 -0.767 2.601) 4.487 3.759 ( -0.486 3.721 -6.053) 7.122 3.896 ( -0.842 6.068 -12.201) 13.652 3.910 ( -1.173 4.589 -12.260) 13.143 4.004 ( -0.915 2.031 -5.532) 5.964 4.067 ( -0.024 3.861 -1.314) 4.079 4.072 ( -0.242 1.549 -1.090) 1.910 4.372 ( -1.288 -3.685 -0.483) 3.933 4.398 ( -3.273 -4.250 -1.304) 5.520 4.463 ( 8.613 1.179 -3.716) 9.454 4.531 ( 5.146 1.347 3.631) 6.441 4.646 ( -1.123 1.997 1.582) 2.784 4.772 ( 6.416 1.220 0.782) 6.577 4.891 ( -8.704 1.360 -6.625) 11.023 4.940 ( -0.623 3.173 -1.945) 3.773 5.186 ( -1.117 -3.744 -0.480) 3.936 5.211 ( -0.961 -3.024 -0.439) 3.204 5.408 ( -1.269 1.892 -1.108) 2.533 5.477 ( -4.480 1.404 -3.015) 5.579 5.619 ( -0.130 -1.995 -4.136) 4.594 5.657 ( -2.002 -3.108 -1.762) 4.095 5.767 ( 3.694 -6.078 2.358) 7.494 5.923 ( -0.404 -1.759 3.663) 4.083 5.978 ( 1.471 -6.536 6.476) 9.318 6.169 ( -4.361 -3.897 -2.716) 6.448 6.196 ( -0.591 -1.289 2.513) 2.885 6.286 ( -2.954 -2.501 -2.798) 4.776 6.427 ( 2.109 -2.546 3.620) 4.903 6.461 ( 0.276 -0.915 3.726) 3.847 6.558 ( 0.738 9.527 2.195) 9.805 6.581 ( 1.574 9.679 4.003) 10.591 6.635 ( 3.137 5.718 2.331) 6.926 6.834 ( -3.501 5.951 1.172) 7.003 6.984 ( 15.886 0.483 -1.491) 15.963 7.072 ( 11.583 0.879 0.154) 11.618 7.362 ( 0.846 1.929 -1.747) 2.736 7.389 ( 0.415 3.578 -0.171) 3.606 7.640 ( -8.683 1.976 2.066) 9.142 7.766 ( -6.214 -2.573 2.500) 7.175 7.832 ( -6.382 -0.375 1.233) 6.511 7.858 ( -6.024 -1.043 0.777) 6.163 8.086 ( 0.040 -3.395 -0.712) 3.469 8.147 ( -6.388 -6.798 0.654) 9.351 8.251 ( -1.665 -4.531 3.374) 5.890 8.348 ( -7.107 1.443 0.357) 7.261 8.521 ( 2.574 0.048 -2.485) 3.579 8.695 ( -5.062 1.762 -2.769) 6.033 8.741 ( 5.285 0.052 1.901) 5.616 8.793 ( 3.008 -0.143 -2.957) 4.221 8.870 ( 1.629 4.610 -5.979) 7.724 8.965 ( 6.870 1.804 0.034) 7.103 9.078 ( 5.353 -2.688 -1.625) 6.207 9.204 ( 3.964 -0.186 -1.056) 4.106 9.302 ( 5.076 -0.371 -6.219) 8.036 9.344 ( -0.260 -2.813 -3.744) 4.691 9.480 ( -3.788 -3.996 -7.438) 9.254 9.594 ( -2.019 -3.587 -6.067) 7.332 11.020 ( -0.202 3.023 4.730) 5.617 11.087 ( -0.523 4.151 1.398) 4.411 11.137 ( 1.681 1.419 2.514) 3.341 11.249 ( -2.728 -3.966 3.846) 6.161 11.319 ( -0.338 -5.608 2.226) 6.043 11.366 ( -0.974 -7.347 -3.212) 8.078 11.465 ( 0.640 -4.236 0.983) 4.395 11.507 ( -0.374 -2.027 -1.044) 2.310 11.803 ( 4.046 5.202 1.030) 6.670 11.862 ( 1.757 10.096 -0.295) 10.252 11.946 ( -2.567 1.353 1.577) 3.303 12.078 ( -1.033 -1.600 -6.839) 7.099 12.141 ( 5.933 3.487 2.590) 7.353 12.284 ( -1.409 5.549 2.023) 6.072 12.511 ( -1.733 2.987 -0.770) 3.538 12.548 ( -2.231 6.988 -0.014) 7.335 12.942 ( 0.786 -0.331 2.358) 2.507 12.975 ( -0.564 -1.136 2.946) 3.207 13.006 ( 0.611 -0.307 2.899) 2.978 13.034 ( -0.615 3.838 5.526) 6.756 14.279 ( 5.450 -2.473 -2.217) 6.383 14.509 ( 2.470 -6.055 0.876) 6.597 14.582 ( -6.916 -4.856 -1.782) 8.637 14.699 ( -6.354 -4.892 -1.350) 8.132 14.984 ( 1.032 4.080 -17.626) 18.121 15.026 ( -0.158 2.623 -11.577) 11.872 15.137 ( 7.936 2.836 -9.729) 12.871 15.359 ( -3.347 -0.662 -8.541) 9.198 20.366 ( 4.041 -0.177 -0.629) 4.093 20.417 ( 1.553 -1.079 -0.883) 2.087 20.506 ( -0.265 -0.802 -2.697) 2.826 20.623 ( -4.295 -3.242 -6.949) 8.788 21.336 ( 2.268 1.865 5.287) 6.048 21.478 ( -2.822 0.597 3.005) 4.165 21.614 ( -0.481 -2.784 2.101) 3.521 21.676 ( -0.914 -3.392 2.295) 4.196 21.794 ( 0.596 3.658 1.027) 3.846 21.817 ( -0.497 4.333 1.492) 4.609 21.934 ( 1.402 2.876 -2.151) 3.856 22.026 ( -3.349 1.023 -2.321) 4.201 22.292 ( 5.863 2.656 -1.949) 6.725 22.460 ( -0.751 0.676 -3.586) 3.726 22.528 ( -1.286 2.282 -4.911) 5.566 22.562 ( -0.863 -1.940 -4.971) 5.405 23.061 ( 0.861 3.244 3.247) 4.670 23.127 ( -1.922 2.357 2.243) 3.779 23.315 ( 3.893 0.741 -1.627) 4.284 23.472 ( -2.961 -1.438 -4.339) 5.446 23.651 ( 0.477 -2.815 9.604) 10.020 23.695 ( -0.761 -0.666 7.931) 7.995 23.911 ( 6.715 -5.238 4.811) 9.781 24.269 ( -9.124 -8.249 -2.439) 12.540 25.337 ( 1.420 0.157 -0.338) 1.468 25.376 ( 2.267 -0.168 0.321) 2.296 25.412 ( 0.334 -0.005 -1.625) 1.659 25.518 ( -2.151 -1.340 -2.606) 3.635 ======================= Grid point 112 (42/72) ======================= q-point: (-0.50 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -10.654 0.190 10.751) 15.136 1.622 ( 10.654 0.190 10.751) 15.136 1.941 ( -7.066 1.571 15.741) 17.326 1.941 ( 7.066 1.571 15.741) 17.326 2.219 ( -5.520 -3.228 -4.678) 7.923 2.219 ( 5.520 -3.228 -4.678) 7.923 2.453 ( -4.269 -1.660 -6.933) 8.309 2.453 ( 4.269 -1.660 -6.933) 8.309 2.678 ( -3.400 -9.064 0.146) 9.682 2.678 ( 3.400 -9.064 0.146) 9.682 2.878 ( -8.705 2.251 2.989) 9.475 2.878 ( 8.705 2.251 2.989) 9.475 3.095 ( -5.201 -0.883 1.102) 5.390 3.095 ( 5.201 -0.883 1.102) 5.390 3.269 ( -6.192 9.003 6.037) 12.484 3.269 ( 6.192 9.003 6.037) 12.484 3.405 ( -3.308 2.735 7.887) 8.979 3.405 ( 3.308 2.735 7.887) 8.979 3.574 ( -0.683 -0.643 -0.593) 1.110 3.574 ( 0.683 -0.643 -0.593) 1.110 3.808 ( -4.440 5.341 -7.108) 9.938 3.808 ( 4.440 5.341 -7.108) 9.938 3.962 ( -2.878 1.862 -11.886) 12.370 3.962 ( 2.878 1.862 -11.886) 12.370 4.070 ( -0.254 2.672 -1.354) 3.006 4.070 ( 0.254 2.672 -1.354) 3.006 4.358 ( -0.615 -4.940 -1.353) 5.159 4.358 ( 0.615 -4.940 -1.353) 5.159 4.602 ( -1.694 2.967 0.771) 3.502 4.602 ( 1.694 2.967 0.771) 3.502 4.682 ( -11.102 1.016 -4.267) 11.937 4.682 ( 11.102 1.016 -4.267) 11.937 4.892 ( -4.790 1.985 0.350) 5.197 4.892 ( 4.790 1.985 0.350) 5.197 5.188 ( -1.212 -3.318 -1.303) 3.765 5.188 ( 1.212 -3.318 -1.303) 3.765 5.409 ( -1.980 1.867 -1.725) 3.223 5.409 ( 1.980 1.867 -1.725) 3.223 5.624 ( -1.341 -4.664 -3.254) 5.843 5.624 ( 1.341 -4.664 -3.254) 5.843 5.859 ( -5.305 -2.603 5.206) 7.875 5.859 ( 5.305 -2.603 5.206) 7.875 6.064 ( -6.240 -4.331 2.780) 8.088 6.064 ( 6.240 -4.331 2.780) 8.088 6.223 ( -2.974 -2.788 -1.721) 4.425 6.223 ( 2.974 -2.788 -1.721) 4.425 6.457 ( -1.040 -4.556 4.252) 6.318 6.457 ( 1.040 -4.556 4.252) 6.318 6.574 ( -1.107 11.563 2.382) 11.857 6.574 ( 1.107 11.563 2.382) 11.857 6.738 ( -6.231 7.293 1.883) 9.776 6.738 ( 6.231 7.293 1.883) 9.776 7.236 ( -0.994 -0.102 -3.521) 3.660 7.236 ( 0.994 -0.102 -3.521) 3.660 7.400 ( -1.848 4.136 -1.875) 4.903 7.400 ( 1.848 4.136 -1.875) 4.903 7.518 ( -5.660 -1.530 4.188) 7.205 7.518 ( 5.660 -1.530 4.188) 7.205 7.809 ( -1.654 -0.505 2.052) 2.684 7.809 ( 1.654 -0.505 2.052) 2.684 8.084 ( -0.698 -5.347 1.204) 5.525 8.084 ( 0.698 -5.347 1.204) 5.525 8.253 ( -2.670 -0.826 3.202) 4.250 8.253 ( 2.670 -0.826 3.202) 4.250 8.594 ( -5.164 1.598 -2.987) 6.176 8.594 ( 5.164 1.598 -2.987) 6.176 8.802 ( -1.572 0.470 -4.964) 5.228 8.802 ( 1.572 0.470 -4.964) 5.228 8.956 ( -5.126 3.516 -1.701) 6.444 8.956 ( 5.126 3.516 -1.701) 6.444 9.237 ( -5.868 -4.241 0.955) 7.303 9.237 ( 5.868 -4.241 0.955) 7.303 9.302 ( -1.050 0.312 -5.792) 5.894 9.302 ( 1.050 0.312 -5.792) 5.894 9.522 ( -5.728 -4.600 -7.838) 10.743 9.522 ( 5.728 -4.600 -7.838) 10.743 11.042 ( -2.542 4.553 2.891) 5.962 11.042 ( 2.542 4.553 2.891) 5.962 11.199 ( -3.437 -0.922 3.377) 4.906 11.199 ( 3.437 -0.922 3.377) 4.906 11.330 ( -1.980 -9.422 -0.177) 9.630 11.330 ( 1.980 -9.422 -0.177) 9.630 11.487 ( -1.511 -2.888 0.139) 3.262 11.487 ( 1.511 -2.888 0.139) 3.262 11.860 ( -2.093 8.164 0.653) 8.454 11.860 ( 2.093 8.164 0.653) 8.454 12.001 ( -6.648 0.102 -4.379) 7.961 12.001 ( 6.648 0.102 -4.379) 7.961 12.236 ( -4.088 4.870 1.549) 6.545 12.236 ( 4.088 4.870 1.549) 6.545 12.507 ( -1.566 4.634 0.827) 4.961 12.507 ( 1.566 4.634 0.827) 4.961 12.960 ( -0.983 -1.032 2.199) 2.620 12.960 ( 0.983 -1.032 2.199) 2.620 13.020 ( -0.864 2.121 4.520) 5.067 13.020 ( 0.864 2.121 4.520) 5.067 14.415 ( -8.890 -2.971 -2.825) 9.790 14.415 ( 8.890 -2.971 -2.825) 9.790 14.592 ( -5.149 -5.093 1.049) 7.317 14.592 ( 5.149 -5.093 1.049) 7.317 15.012 ( -1.427 2.827 -15.318) 15.642 15.012 ( 1.427 2.827 -15.318) 15.642 15.270 ( -6.262 0.574 -8.717) 10.748 15.270 ( 6.262 0.574 -8.717) 10.748 20.429 ( -1.492 -0.371 -0.363) 1.580 20.429 ( 1.492 -0.371 -0.363) 1.580 20.533 ( -4.276 -2.379 -5.712) 7.521 20.533 ( 4.276 -2.379 -5.712) 7.521 21.400 ( -4.537 1.552 4.856) 6.825 21.400 ( 4.537 1.552 4.856) 6.825 21.641 ( -2.456 -3.471 1.425) 4.485 21.641 ( 2.456 -3.471 1.425) 4.485 21.806 ( -0.711 4.076 1.236) 4.318 21.806 ( 0.711 4.076 1.236) 4.318 21.970 ( -2.583 2.409 -2.300) 4.215 21.970 ( 2.583 2.409 -2.300) 4.215 22.399 ( -5.334 1.060 -3.060) 6.240 22.399 ( 5.334 1.060 -3.060) 6.240 22.538 ( -1.664 0.415 -3.967) 4.322 22.538 ( 1.664 0.415 -3.967) 4.322 23.088 ( -2.005 2.731 2.670) 4.314 23.088 ( 2.005 2.731 2.670) 4.314 23.399 ( -4.746 -0.313 -3.505) 5.908 23.399 ( 4.746 -0.313 -3.505) 5.908 23.671 ( -1.519 -1.750 9.009) 9.303 23.671 ( 1.519 -1.750 9.009) 9.303 24.077 ( -10.721 -6.457 2.194) 12.706 24.077 ( 10.721 -6.457 2.194) 12.706 25.368 ( -1.724 0.405 -0.724) 1.913 25.368 ( 1.724 0.405 -0.724) 1.913 25.464 ( -3.658 -1.197 -1.867) 4.278 25.464 ( 3.658 -1.197 -1.867) 4.278 ======================= Grid point 115 (43/72) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 -0.176 13.246) 13.247 1.637 ( 0.000 6.889 9.339) 11.605 1.945 ( 0.000 -5.239 -4.090) 6.646 2.038 ( 0.000 -1.359 5.344) 5.514 2.148 ( 0.000 -5.918 6.164) 8.545 2.247 ( 0.000 -12.783 1.999) 12.938 2.315 ( 0.000 1.346 10.438) 10.525 2.439 ( 0.000 0.640 3.812) 3.866 2.557 ( 0.000 0.700 -3.242) 3.317 2.576 ( 0.000 -0.936 -10.994) 11.034 2.833 ( 0.000 -5.664 -0.866) 5.729 2.850 ( 0.000 -1.499 -7.615) 7.761 3.169 ( 0.000 0.580 7.681) 7.703 3.175 ( 0.000 -0.477 6.075) 6.094 3.302 ( 0.000 12.399 5.933) 13.745 3.306 ( 0.000 4.216 0.258) 4.224 3.448 ( 0.000 5.365 -1.337) 5.529 3.499 ( 0.000 5.308 3.158) 6.176 3.588 ( 0.000 -0.746 0.140) 0.759 3.696 ( 0.000 3.327 0.131) 3.329 3.797 ( 0.000 1.599 -9.781) 9.911 3.950 ( 0.000 1.224 -3.541) 3.746 4.003 ( 0.000 -6.424 0.123) 6.425 4.059 ( 0.000 -0.025 -0.684) 0.684 4.090 ( 0.000 7.131 -7.888) 10.634 4.210 ( 0.000 5.736 -5.264) 7.785 4.331 ( 0.000 -1.989 -3.872) 4.353 4.377 ( 0.000 -2.676 -6.380) 6.918 4.466 ( 0.000 4.587 -3.780) 5.944 4.495 ( 0.000 3.744 3.538) 5.151 4.684 ( 0.000 -0.095 -1.335) 1.339 4.705 ( 0.000 0.889 1.771) 1.981 4.993 ( 0.000 1.219 -4.325) 4.494 5.019 ( 0.000 3.677 1.045) 3.822 5.137 ( 0.000 -2.711 1.401) 3.051 5.165 ( 0.000 -1.947 0.501) 2.011 5.438 ( 0.000 -7.708 1.650) 7.882 5.467 ( 0.000 1.067 -1.885) 2.166 5.531 ( 0.000 -3.697 2.307) 4.358 5.536 ( 0.000 -10.261 -4.358) 11.149 5.749 ( 0.000 2.956 -1.109) 3.157 5.874 ( 0.000 -2.076 -0.590) 2.158 5.922 ( 0.000 1.630 1.309) 2.090 6.082 ( 0.000 -5.589 -2.604) 6.166 6.242 ( 0.000 0.067 1.093) 1.095 6.283 ( 0.000 1.237 2.339) 2.646 6.372 ( 0.000 -1.566 6.644) 6.826 6.449 ( 0.000 -3.564 7.240) 8.069 6.663 ( 0.000 4.094 -0.788) 4.169 6.700 ( 0.000 4.312 -0.894) 4.404 6.720 ( 0.000 7.093 4.586) 8.446 6.826 ( 0.000 1.187 -1.835) 2.185 7.010 ( 0.000 7.796 0.442) 7.809 7.057 ( 0.000 4.290 2.840) 5.145 7.406 ( 0.000 3.979 -0.612) 4.026 7.467 ( 0.000 4.983 4.556) 6.751 7.735 ( 0.000 -8.219 -1.485) 8.352 7.775 ( 0.000 -4.624 3.931) 6.069 7.809 ( 0.000 4.217 -1.103) 4.359 7.925 ( 0.000 -1.939 5.947) 6.255 8.056 ( 0.000 -1.523 3.578) 3.889 8.064 ( 0.000 -7.751 -3.740) 8.606 8.185 ( 0.000 -0.766 -0.205) 0.793 8.369 ( 0.000 -6.538 -3.774) 7.550 8.569 ( 0.000 6.071 -1.262) 6.201 8.696 ( 0.000 2.189 6.573) 6.928 8.725 ( 0.000 -1.549 2.288) 2.763 8.816 ( 0.000 -2.287 2.025) 3.055 8.817 ( 0.000 2.699 1.003) 2.879 8.877 ( 0.000 -0.869 4.129) 4.219 9.105 ( 0.000 3.372 -10.961) 11.468 9.162 ( 0.000 0.313 -2.940) 2.956 9.207 ( 0.000 -0.161 -8.074) 8.075 9.315 ( 0.000 -3.373 -5.161) 6.166 9.457 ( 0.000 -0.903 -7.366) 7.421 9.548 ( 0.000 -3.159 -6.387) 7.126 11.066 ( 0.000 1.070 5.438) 5.542 11.113 ( 0.000 0.679 5.126) 5.170 11.127 ( 0.000 1.085 1.794) 2.097 11.224 ( 0.000 -2.216 1.065) 2.459 11.323 ( 0.000 -5.739 1.070) 5.837 11.327 ( 0.000 1.085 -1.836) 2.132 11.399 ( 0.000 1.426 -3.193) 3.497 11.442 ( 0.000 -2.080 -3.948) 4.462 11.825 ( 0.000 2.726 1.221) 2.987 11.899 ( 0.000 -0.699 -2.286) 2.390 12.010 ( 0.000 -0.729 -1.360) 1.543 12.033 ( 0.000 -1.937 -4.770) 5.148 12.266 ( 0.000 13.069 1.384) 13.142 12.454 ( 0.000 6.793 3.906) 7.835 12.536 ( 0.000 2.320 -0.550) 2.385 12.700 ( 0.000 0.423 -1.349) 1.414 12.950 ( 0.000 -1.842 3.977) 4.383 12.955 ( 0.000 -2.309 3.696) 4.358 12.994 ( 0.000 5.459 4.337) 6.972 13.108 ( 0.000 1.331 6.178) 6.320 14.181 ( 0.000 -1.178 -1.178) 1.666 14.332 ( 0.000 -7.808 1.093) 7.885 14.548 ( 0.000 -2.505 0.921) 2.669 14.648 ( 0.000 -6.102 -1.746) 6.347 15.081 ( 0.000 2.644 -13.116) 13.380 15.098 ( 0.000 2.623 -16.126) 16.338 15.122 ( 0.000 5.780 -13.457) 14.646 15.342 ( 0.000 -3.741 -10.985) 11.604 20.328 ( 0.000 0.369 -0.647) 0.745 20.370 ( 0.000 -1.593 -1.072) 1.920 20.507 ( 0.000 0.241 -2.063) 2.077 20.585 ( 0.000 -3.723 -4.592) 5.912 21.369 ( 0.000 3.089 5.802) 6.573 21.479 ( 0.000 -1.455 3.970) 4.228 21.618 ( 0.000 -0.750 5.633) 5.683 21.620 ( 0.000 -1.389 6.366) 6.516 21.874 ( 0.000 4.606 0.500) 4.633 21.920 ( 0.000 4.581 -1.661) 4.873 21.964 ( 0.000 1.082 -2.497) 2.722 22.047 ( 0.000 -1.805 -2.215) 2.858 22.309 ( 0.000 4.384 -4.772) 6.481 22.493 ( 0.000 -4.279 -7.291) 8.454 22.525 ( 0.000 3.215 -4.857) 5.824 22.574 ( 0.000 0.871 -5.766) 5.831 23.147 ( 0.000 5.385 3.727) 6.549 23.204 ( 0.000 3.063 3.093) 4.353 23.302 ( 0.000 0.967 1.494) 1.780 23.424 ( 0.000 -5.356 2.033) 5.729 23.580 ( 0.000 -2.686 7.569) 8.032 23.670 ( 0.000 -3.930 3.355) 5.167 23.789 ( 0.000 1.618 1.562) 2.249 24.132 ( 0.000 -12.095 -3.270) 12.529 25.325 ( 0.000 0.187 0.066) 0.198 25.337 ( 0.000 -0.287 1.082) 1.119 25.433 ( 0.000 1.213 -1.960) 2.305 25.503 ( 0.000 -1.948 -2.588) 3.239 ======================= Grid point 116 (44/72) ======================= q-point: ( 0.25 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 4.113 3.909 8.806) 10.476 1.764 ( 11.271 2.654 12.207) 16.826 1.871 ( -9.458 0.825 -0.597) 9.513 2.023 ( -0.210 -3.988 5.263) 6.607 2.099 ( -1.679 -5.600 2.724) 6.450 2.212 ( -8.033 -1.658 9.604) 12.630 2.299 ( 2.563 -11.417 3.016) 12.083 2.452 ( -2.242 -6.302 -0.794) 6.735 2.544 ( 1.441 3.676 -9.195) 10.006 2.677 ( 6.123 1.470 0.786) 6.346 2.729 ( -3.402 0.336 -4.129) 5.360 2.915 ( 1.061 -5.763 -3.246) 6.698 3.153 ( -1.739 1.472 8.135) 8.448 3.173 ( -3.284 4.044 0.760) 5.265 3.234 ( 3.115 1.902 8.141) 8.921 3.387 ( 2.398 0.299 -0.401) 2.450 3.479 ( 1.592 10.941 5.400) 12.305 3.528 ( 2.137 2.460 -1.675) 3.663 3.603 ( 1.428 2.320 -0.870) 2.860 3.651 ( -4.030 4.804 0.936) 6.340 3.802 ( 1.778 2.089 -7.048) 7.563 3.952 ( -0.840 -1.581 -4.095) 4.470 3.993 ( 1.992 -2.058 -0.532) 2.913 4.028 ( -4.135 5.517 -5.456) 8.792 4.109 ( 1.426 0.834 -3.063) 3.480 4.178 ( -3.417 6.045 -3.007) 7.567 4.305 ( -2.941 -3.567 -4.871) 6.715 4.324 ( -3.858 -2.173 -6.894) 8.193 4.528 ( 9.455 4.502 -1.871) 10.638 4.581 ( 5.469 3.901 0.475) 6.735 4.672 ( -0.786 1.168 -0.819) 1.629 4.793 ( 7.255 0.182 0.750) 7.296 4.920 ( -6.710 1.768 -3.349) 7.705 5.014 ( -2.414 3.696 -0.777) 4.483 5.104 ( -1.887 -4.008 0.367) 4.445 5.160 ( -1.465 -1.951 0.005) 2.440 5.425 ( -2.224 -0.695 -0.866) 2.486 5.434 ( -1.376 -4.431 -0.127) 4.641 5.496 ( -1.402 -8.267 -3.653) 9.146 5.542 ( -1.571 -5.890 1.421) 6.259 5.773 ( 2.757 3.246 -0.342) 4.273 5.874 ( -2.054 -0.814 2.915) 3.657 5.912 ( 2.548 -1.346 0.944) 3.033 6.071 ( -2.841 -5.392 -4.230) 7.419 6.212 ( -1.856 1.931 4.185) 4.969 6.245 ( -2.938 -0.006 1.907) 3.503 6.360 ( -0.376 -3.422 6.515) 7.369 6.385 ( -3.229 -4.002 6.898) 8.604 6.746 ( 3.026 7.834 3.506) 9.101 6.786 ( 4.704 7.243 -0.796) 8.673 6.790 ( 5.730 7.335 -1.693) 9.460 6.899 ( 4.361 0.292 -0.559) 4.407 7.043 ( 8.319 5.013 1.560) 9.837 7.104 ( 7.259 1.960 1.626) 7.693 7.410 ( -0.048 3.162 1.188) 3.378 7.477 ( 1.263 5.076 2.996) 6.028 7.662 ( -8.546 -5.443 2.796) 10.511 7.713 ( -9.623 3.041 -0.998) 10.142 7.773 ( -0.923 -6.515 0.318) 6.587 7.849 ( -6.635 0.021 1.055) 6.719 8.003 ( -2.225 -4.200 1.747) 5.064 8.060 ( -1.095 -0.944 0.692) 1.603 8.149 ( -2.201 -3.961 2.105) 4.997 8.291 ( -6.930 -5.787 -1.282) 9.119 8.586 ( 3.143 5.505 -0.481) 6.357 8.749 ( 3.093 1.523 2.795) 4.438 8.755 ( -3.129 2.324 1.212) 4.082 8.789 ( 3.393 -1.159 2.002) 4.107 8.911 ( 5.534 0.070 -0.168) 5.537 8.954 ( 9.526 -2.259 2.405) 10.081 9.083 ( -1.932 2.678 -7.594) 8.280 9.188 ( 0.600 -1.964 -1.986) 2.857 9.269 ( 4.331 -1.275 -8.709) 9.809 9.313 ( 1.685 -1.418 -5.735) 6.143 9.423 ( -3.270 -0.336 -8.015) 8.663 9.522 ( -2.978 -3.370 -6.917) 8.251 11.068 ( 0.839 1.070 4.212) 4.426 11.110 ( 0.860 -1.277 3.417) 3.747 11.170 ( 3.560 2.182 2.495) 4.864 11.208 ( -2.221 -2.356 1.533) 3.583 11.241 ( -7.161 -0.041 -0.374) 7.170 11.307 ( -2.391 0.390 -0.065) 2.424 11.377 ( 0.812 -3.532 -0.070) 3.625 11.459 ( -0.980 -2.698 -4.156) 5.051 11.873 ( 4.348 2.315 -0.579) 4.959 11.925 ( 2.614 -0.394 -2.231) 3.459 11.997 ( -1.274 1.325 -2.697) 3.264 12.036 ( -0.206 -2.099 -4.060) 4.576 12.310 ( 3.996 10.987 1.741) 11.820 12.438 ( -1.894 8.293 4.080) 9.435 12.541 ( 1.175 1.584 -0.708) 2.095 12.670 ( -3.258 1.235 -1.114) 3.657 12.937 ( -0.183 -1.150 4.325) 4.479 12.965 ( -0.794 1.841 2.360) 3.096 13.005 ( 2.075 0.514 5.511) 5.911 13.093 ( -1.607 0.897 5.868) 6.150 14.234 ( 5.509 -1.174 -1.358) 5.794 14.363 ( 3.136 -7.085 0.924) 7.802 14.503 ( -4.674 -2.544 0.456) 5.341 14.581 ( -6.239 -5.777 -0.826) 8.542 15.075 ( 0.587 4.070 -15.923) 16.446 15.108 ( -0.355 5.256 -12.701) 13.750 15.172 ( 4.757 0.437 -13.586) 14.401 15.320 ( -2.358 -3.286 -11.169) 11.878 20.363 ( 3.544 0.020 -1.197) 3.741 20.391 ( 2.184 -1.292 -1.232) 2.821 20.492 ( -1.595 -0.330 -2.311) 2.827 20.551 ( -3.524 -3.337 -4.387) 6.542 21.389 ( 2.206 3.150 5.920) 7.059 21.491 ( 0.389 -0.064 4.414) 4.432 21.567 ( -2.776 -1.181 5.825) 6.560 21.618 ( -1.635 -2.271 5.264) 5.961 21.881 ( 0.721 4.560 0.349) 4.630 21.912 ( -0.647 4.366 -0.876) 4.500 21.979 ( 1.170 1.160 -2.798) 3.247 22.026 ( -1.656 -1.050 -2.226) 2.966 22.355 ( 4.232 3.418 -4.708) 7.195 22.496 ( -1.275 1.395 -6.162) 6.446 22.509 ( -0.087 -2.016 -5.308) 5.679 22.563 ( -1.170 0.777 -5.851) 6.018 23.151 ( 0.419 5.333 3.731) 6.522 23.190 ( -1.329 3.591 3.296) 5.052 23.322 ( 1.971 -0.645 1.347) 2.473 23.406 ( -1.804 -5.071 1.827) 5.684 23.599 ( 2.349 -1.152 6.413) 6.926 23.705 ( 0.791 0.722 2.461) 2.684 23.791 ( 2.668 -4.309 2.959) 5.869 24.064 ( -6.855 -10.943 -1.552) 13.006 25.343 ( 1.793 0.434 -0.281) 1.866 25.368 ( 2.863 -0.615 0.220) 2.937 25.421 ( -1.264 0.946 -1.761) 2.365 25.484 ( -2.013 -1.859 -2.305) 3.581 ======================= Grid point 117 (45/72) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -10.607 4.837 4.115) 12.363 1.668 ( 10.607 4.837 4.115) 12.363 1.982 ( -9.928 0.378 13.678) 16.906 1.982 ( 9.928 0.378 13.678) 16.906 2.079 ( -1.053 -6.406 1.359) 6.633 2.079 ( 1.053 -6.406 1.359) 6.633 2.371 ( -5.024 -10.168 -1.748) 11.475 2.371 ( 5.024 -10.168 -1.748) 11.475 2.608 ( -4.899 5.315 -4.368) 8.446 2.608 ( 4.899 5.315 -4.368) 8.446 2.854 ( -7.234 -3.767 0.136) 8.157 2.854 ( 7.234 -3.767 0.136) 8.157 3.135 ( -0.665 4.000 4.713) 6.217 3.135 ( 0.665 4.000 4.713) 6.217 3.338 ( -6.357 -3.705 3.401) 8.105 3.338 ( 6.357 -3.705 3.401) 8.105 3.535 ( -4.558 9.085 0.627) 10.184 3.535 ( 4.558 9.085 0.627) 10.184 3.602 ( -3.117 3.689 0.817) 4.898 3.602 ( 3.117 3.689 0.817) 4.898 3.882 ( -5.942 1.451 -6.092) 8.633 3.882 ( 5.942 1.451 -6.092) 8.633 4.021 ( -0.824 1.310 -2.991) 3.367 4.021 ( 0.824 1.310 -2.991) 3.367 4.114 ( -1.785 2.958 -1.399) 3.728 4.114 ( 1.785 2.958 -1.399) 3.728 4.282 ( -0.968 -2.340 -6.961) 7.408 4.282 ( 0.968 -2.340 -6.961) 7.408 4.649 ( -2.125 2.505 1.347) 3.550 4.649 ( 2.125 2.505 1.347) 3.550 4.741 ( -11.690 3.154 -4.482) 12.912 4.741 ( 11.690 3.154 -4.482) 12.912 4.928 ( -6.406 2.004 -0.095) 6.713 4.928 ( 6.406 2.004 -0.095) 6.713 5.114 ( -2.761 -3.821 -1.014) 4.822 5.114 ( 2.761 -3.821 -1.014) 4.822 5.408 ( -0.561 -1.874 -1.681) 2.579 5.408 ( 0.561 -1.874 -1.681) 2.579 5.502 ( -1.706 -6.488 -0.099) 6.709 5.502 ( 1.706 -6.488 -0.099) 6.709 5.833 ( -2.935 1.095 3.337) 4.577 5.833 ( 2.935 1.095 3.337) 4.577 5.985 ( -5.127 -4.303 -2.158) 7.032 5.985 ( 5.127 -4.303 -2.158) 7.033 6.207 ( -1.076 1.677 3.644) 4.154 6.207 ( 1.076 1.677 3.644) 4.154 6.357 ( -0.288 -4.794 6.754) 8.287 6.357 ( 0.288 -4.794 6.754) 8.287 6.802 ( -2.378 9.139 -0.146) 9.444 6.802 ( 2.378 9.139 -0.146) 9.444 6.867 ( -4.224 4.848 1.326) 6.566 6.867 ( 4.224 4.848 1.326) 6.566 7.261 ( -0.921 2.655 -0.407) 2.840 7.261 ( 0.921 2.655 -0.407) 2.840 7.426 ( -10.393 -2.923 3.136) 11.243 7.426 ( 10.393 -2.923 3.136) 11.243 7.537 ( -6.093 4.698 0.109) 7.694 7.537 ( 6.093 4.698 0.109) 7.694 7.770 ( -1.606 -3.920 0.506) 4.266 7.770 ( 1.606 -3.920 0.506) 4.266 8.016 ( -2.689 -0.583 1.461) 3.115 8.016 ( 2.689 -0.583 1.461) 3.115 8.174 ( -4.838 -5.781 1.713) 7.731 8.174 ( 4.838 -5.781 1.713) 7.731 8.667 ( -5.006 4.828 -0.368) 6.964 8.667 ( 5.006 4.828 -0.368) 6.964 8.806 ( -1.387 -0.572 1.786) 2.333 8.806 ( 1.387 -0.572 1.786) 2.333 9.019 ( -5.316 2.164 -3.237) 6.589 9.019 ( 5.316 2.164 -3.237) 6.589 9.126 ( -7.405 -5.387 0.280) 9.161 9.126 ( 7.405 -5.387 0.280) 9.161 9.324 ( -3.435 1.915 -7.740) 8.682 9.324 ( 3.435 1.915 -7.740) 8.682 9.439 ( -5.631 -3.451 -8.134) 10.478 9.439 ( 5.631 -3.451 -8.134) 10.478 11.115 ( -4.086 1.216 1.383) 4.482 11.115 ( 4.086 1.216 1.383) 4.482 11.156 ( -2.316 -2.807 2.831) 4.610 11.156 ( 2.316 -2.807 2.831) 4.610 11.245 ( -4.180 1.801 1.619) 4.831 11.245 ( 4.180 1.801 1.619) 4.831 11.417 ( -2.891 -3.998 -1.656) 5.204 11.417 ( 2.891 -3.998 -1.656) 5.204 11.941 ( -2.429 1.735 -2.194) 3.704 11.941 ( 2.429 1.735 -2.194) 3.704 12.006 ( -2.870 -0.734 -3.812) 4.827 12.006 ( 2.870 -0.734 -3.812) 4.827 12.384 ( -3.769 9.133 3.065) 10.345 12.384 ( 3.769 9.133 3.065) 10.345 12.594 ( -4.302 2.049 -0.652) 4.809 12.594 ( 4.302 2.049 -0.652) 4.809 12.945 ( -0.957 0.763 3.541) 3.747 12.945 ( 0.957 0.763 3.541) 3.747 13.053 ( -2.650 -0.031 5.406) 6.020 13.053 ( 2.650 -0.031 5.406) 6.020 14.359 ( -6.881 -1.690 -1.631) 7.271 14.359 ( 6.881 -1.690 -1.631) 7.271 14.469 ( -4.790 -6.180 1.319) 7.929 14.469 ( 4.790 -6.180 1.319) 7.929 15.093 ( -1.105 4.860 -14.700) 15.522 15.093 ( 1.105 4.860 -14.700) 15.522 15.259 ( -4.274 -1.952 -11.878) 12.773 15.259 ( 4.274 -1.952 -11.878) 12.773 20.424 ( -1.137 0.042 -1.098) 1.581 20.424 ( 1.137 0.042 -1.098) 1.581 20.478 ( -2.717 -2.629 -3.842) 5.390 20.478 ( 2.717 -2.629 -3.842) 5.390 21.447 ( -3.870 2.947 5.941) 7.678 21.447 ( 3.870 2.947 5.941) 7.678 21.575 ( -2.559 -3.073 4.637) 6.123 21.575 ( 2.559 -3.073 4.637) 6.123 21.897 ( -0.941 4.512 -0.054) 4.609 21.897 ( 0.941 4.512 -0.054) 4.609 22.000 ( -1.192 0.161 -2.591) 2.856 22.000 ( 1.192 0.161 -2.591) 2.856 22.436 ( -4.218 2.601 -4.688) 6.822 22.436 ( 4.218 2.601 -4.688) 6.822 22.534 ( -1.807 -0.989 -6.016) 6.359 22.534 ( 1.807 -0.989 -6.016) 6.359 23.165 ( -1.164 4.682 3.613) 6.027 23.165 ( 1.164 4.682 3.613) 6.027 23.365 ( -2.521 -3.455 1.431) 4.510 23.365 ( 2.521 -3.455 1.431) 4.510 23.660 ( -3.840 1.656 4.082) 5.844 23.660 ( 3.840 1.656 4.082) 5.844 23.913 ( -8.661 -8.852 1.546) 12.480 23.913 ( 8.661 -8.852 1.546) 12.480 25.381 ( -2.067 0.897 -0.923) 2.435 25.381 ( 2.067 0.897 -0.923) 2.435 25.434 ( -3.203 -1.552 -1.470) 3.851 25.434 ( 3.203 -1.552 -1.470) 3.851 ======================= Grid point 120 (46/72) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 -9.089 0.767) 9.121 1.627 ( 0.000 9.089 0.767) 9.121 1.955 ( 0.000 -9.342 8.465) 12.606 1.955 ( 0.000 9.342 8.465) 12.606 2.075 ( 0.000 -0.861 6.769) 6.823 2.075 ( 0.000 0.861 6.769) 6.823 2.401 ( 0.000 -5.741 3.887) 6.933 2.401 ( 0.000 5.741 3.887) 6.933 2.539 ( 0.000 -0.491 -3.549) 3.583 2.539 ( 0.000 0.491 -3.549) 3.583 2.819 ( 0.000 -2.009 -4.546) 4.970 2.819 ( 0.000 2.009 -4.546) 4.970 3.168 ( 0.000 -0.141 7.184) 7.185 3.168 ( 0.000 0.141 7.184) 7.185 3.378 ( 0.000 -1.587 -2.093) 2.627 3.378 ( 0.000 1.587 -2.093) 2.627 3.585 ( 0.000 -0.063 -1.774) 1.775 3.585 ( 0.000 0.063 -1.774) 1.775 3.626 ( 0.000 -9.186 -1.458) 9.301 3.626 ( 0.000 9.186 -1.458) 9.301 3.910 ( 0.000 -6.551 3.007) 7.208 3.910 ( 0.000 6.551 3.007) 7.208 3.964 ( 0.000 -4.570 -0.902) 4.659 3.964 ( 0.000 4.570 -0.902) 4.659 4.240 ( 0.000 -6.635 -4.817) 8.199 4.240 ( 0.000 6.635 -4.817) 8.199 4.312 ( 0.000 -4.118 -8.007) 9.004 4.312 ( 0.000 4.118 -8.007) 9.004 4.542 ( 0.000 -0.863 -4.342) 4.427 4.542 ( 0.000 0.863 -4.342) 4.427 4.696 ( 0.000 -1.634 -0.186) 1.644 4.696 ( 0.000 1.634 -0.186) 1.644 5.057 ( 0.000 -1.724 1.462) 2.261 5.057 ( 0.000 1.724 1.462) 2.261 5.116 ( 0.000 -2.312 -0.683) 2.411 5.116 ( 0.000 2.312 -0.683) 2.411 5.355 ( 0.000 -2.325 1.806) 2.944 5.355 ( 0.000 2.325 1.806) 2.944 5.492 ( 0.000 -1.126 0.583) 1.268 5.492 ( 0.000 1.126 0.583) 1.268 5.819 ( 0.000 -3.379 -2.562) 4.241 5.819 ( 0.000 3.379 -2.562) 4.241 5.981 ( 0.000 -4.026 0.178) 4.029 5.981 ( 0.000 4.026 0.178) 4.029 6.273 ( 0.000 -1.936 2.689) 3.313 6.273 ( 0.000 1.936 2.689) 3.313 6.383 ( 0.000 -2.496 6.827) 7.269 6.383 ( 0.000 2.496 6.827) 7.269 6.715 ( 0.000 -1.407 -1.550) 2.093 6.715 ( 0.000 1.407 -1.550) 2.093 6.829 ( 0.000 -2.738 1.711) 3.229 6.829 ( 0.000 2.738 1.711) 3.229 7.103 ( 0.000 -0.643 0.615) 0.890 7.103 ( 0.000 0.643 0.615) 0.890 7.534 ( 0.000 -7.371 -1.248) 7.476 7.534 ( 0.000 7.371 -1.248) 7.476 7.618 ( 0.000 -7.140 8.228) 10.894 7.618 ( 0.000 7.140 8.228) 10.894 7.904 ( 0.000 -3.960 -1.805) 4.352 7.904 ( 0.000 3.960 -1.805) 4.352 7.995 ( 0.000 -2.515 3.954) 4.686 7.995 ( 0.000 2.515 3.954) 4.686 8.243 ( 0.000 -5.432 -4.106) 6.809 8.243 ( 0.000 5.432 -4.106) 6.809 8.675 ( 0.000 -3.822 3.564) 5.225 8.675 ( 0.000 3.822 3.564) 5.225 8.749 ( 0.000 -3.375 3.209) 4.657 8.749 ( 0.000 3.375 3.209) 4.657 8.859 ( 0.000 -1.259 2.856) 3.122 8.859 ( 0.000 1.259 2.856) 3.122 9.151 ( 0.000 -1.320 -7.200) 7.320 9.151 ( 0.000 1.320 -7.200) 7.320 9.239 ( 0.000 -3.125 -7.341) 7.979 9.239 ( 0.000 3.125 -7.341) 7.979 9.486 ( 0.000 -2.768 -7.383) 7.885 9.486 ( 0.000 2.768 -7.383) 7.885 11.091 ( 0.000 -2.200 4.190) 4.732 11.091 ( 0.000 2.200 4.190) 4.732 11.187 ( 0.000 -5.312 2.090) 5.709 11.187 ( 0.000 5.312 2.090) 5.709 11.281 ( 0.000 -3.752 0.416) 3.776 11.281 ( 0.000 3.752 0.416) 3.776 11.428 ( 0.000 -0.668 -5.223) 5.266 11.428 ( 0.000 0.668 -5.223) 5.266 11.872 ( 0.000 -1.842 -1.478) 2.362 11.872 ( 0.000 1.842 -1.478) 2.362 12.005 ( 0.000 -0.529 -3.168) 3.212 12.005 ( 0.000 0.529 -3.168) 3.212 12.464 ( 0.000 -4.999 1.010) 5.100 12.464 ( 0.000 4.999 1.010) 5.100 12.643 ( 0.000 -5.127 2.406) 5.663 12.643 ( 0.000 5.127 2.406) 5.663 12.924 ( 0.000 -0.038 4.663) 4.663 12.924 ( 0.000 0.038 4.663) 4.663 13.088 ( 0.000 -3.026 4.293) 5.253 13.088 ( 0.000 3.026 4.293) 5.253 14.207 ( 0.000 -3.942 0.182) 3.946 14.207 ( 0.000 3.942 0.182) 3.946 14.552 ( 0.000 -2.816 0.161) 2.820 14.552 ( 0.000 2.816 0.161) 2.820 15.116 ( 0.000 -0.604 -15.570) 15.581 15.116 ( 0.000 0.604 -15.570) 15.581 15.242 ( 0.000 -5.785 -12.585) 13.851 15.242 ( 0.000 5.785 -12.585) 13.851 20.342 ( 0.000 -1.047 -1.047) 1.481 20.342 ( 0.000 1.047 -1.047) 1.481 20.527 ( 0.000 -1.875 -2.807) 3.376 20.527 ( 0.000 1.875 -2.807) 3.376 21.433 ( 0.000 -2.935 5.575) 6.301 21.433 ( 0.000 2.935 5.575) 6.301 21.610 ( 0.000 -0.073 6.912) 6.912 21.610 ( 0.000 0.073 6.912) 6.912 21.952 ( 0.000 -2.480 -0.741) 2.589 21.952 ( 0.000 2.480 -0.741) 2.589 21.996 ( 0.000 -3.056 -2.733) 4.100 21.996 ( 0.000 3.056 -2.733) 4.100 22.400 ( 0.000 -4.638 -6.725) 8.169 22.400 ( 0.000 4.638 -6.725) 8.169 22.573 ( 0.000 -1.246 -5.708) 5.843 22.573 ( 0.000 1.246 -5.708) 5.843 23.240 ( 0.000 -1.433 3.516) 3.797 23.240 ( 0.000 1.433 3.516) 3.797 23.320 ( 0.000 -2.876 3.992) 4.920 23.320 ( 0.000 2.876 3.992) 4.920 23.581 ( 0.000 -3.028 4.335) 5.288 23.581 ( 0.000 3.028 4.335) 5.288 23.910 ( 0.000 -9.087 -1.954) 9.295 23.910 ( 0.000 9.087 -1.954) 9.295 25.331 ( 0.000 -0.332 0.483) 0.586 25.331 ( 0.000 0.332 0.483) 0.586 25.464 ( 0.000 -1.796 -2.275) 2.898 25.464 ( 0.000 1.796 -2.275) 2.898 ======================= Grid point 122 (47/72) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 5.890 -9.944 0.819) 11.587 1.684 ( 5.890 9.944 0.819) 11.587 1.952 ( -3.699 -6.665 4.394) 8.799 1.952 ( -3.699 6.665 4.394) 8.799 2.057 ( 1.858 -8.018 8.730) 11.999 2.057 ( 1.858 8.018 8.730) 11.999 2.306 ( -7.589 -7.041 4.854) 11.433 2.306 ( -7.589 7.041 4.854) 11.433 2.630 ( 6.934 -4.446 -3.201) 8.837 2.630 ( 6.934 4.446 -3.201) 8.837 2.809 ( -1.551 -4.949 -4.034) 6.570 2.809 ( -1.551 4.949 -4.034) 6.570 3.180 ( 1.569 -1.624 6.634) 7.008 3.180 ( 1.569 1.624 6.634) 7.008 3.325 ( -4.971 -5.203 1.499) 7.350 3.325 ( -4.971 5.203 1.499) 7.350 3.592 ( 1.905 -1.367 -3.802) 4.467 3.592 ( 1.905 1.367 -3.802) 4.467 3.664 ( 1.543 -3.721 -1.912) 4.459 3.664 ( 1.543 3.721 -1.912) 4.459 3.887 ( 0.290 -4.500 0.370) 4.524 3.887 ( 0.290 4.500 0.370) 4.524 4.008 ( 0.971 -4.279 1.558) 4.656 4.008 ( 0.971 4.279 1.558) 4.656 4.198 ( -2.427 -6.439 -6.623) 9.551 4.198 ( -2.427 6.439 -6.623) 9.551 4.279 ( -3.010 -3.310 -6.455) 7.854 4.279 ( -3.010 3.310 -6.455) 7.854 4.600 ( 5.868 -2.164 -2.322) 6.672 4.600 ( 5.868 2.164 -2.322) 6.672 4.749 ( 3.671 -4.551 -1.045) 5.940 4.749 ( 3.671 4.551 -1.045) 5.940 4.999 ( -3.860 -5.376 -0.094) 6.619 4.999 ( -3.860 5.376 -0.094) 6.619 5.104 ( -2.562 -3.813 -1.667) 4.887 5.104 ( -2.562 3.813 -1.667) 4.887 5.367 ( 1.243 -1.464 1.759) 2.604 5.367 ( 1.243 1.464 1.759) 2.604 5.454 ( -3.355 -2.729 0.676) 4.377 5.454 ( -3.355 2.729 0.676) 4.377 5.836 ( 2.065 -2.844 -1.441) 3.798 5.836 ( 2.065 2.844 -1.441) 3.798 5.962 ( -2.546 -5.010 -0.705) 5.664 5.962 ( -2.546 5.010 -0.705) 5.664 6.252 ( -0.987 -1.200 4.264) 4.539 6.252 ( -0.987 1.200 4.264) 4.539 6.324 ( -3.615 -1.188 7.080) 8.037 6.324 ( -3.615 1.188 7.080) 8.037 6.849 ( 3.735 -1.317 1.925) 4.403 6.849 ( 3.735 1.317 1.925) 4.403 6.878 ( 8.615 -1.920 -2.805) 9.262 6.878 ( 8.615 1.920 -2.805) 9.262 7.118 ( 4.734 -1.422 1.837) 5.273 7.118 ( 4.734 1.422 1.837) 5.273 7.514 ( -3.749 -6.856 2.571) 8.227 7.514 ( -3.749 6.856 2.571) 8.227 7.613 ( 0.376 -7.740 4.065) 8.751 7.613 ( 0.376 7.740 4.065) 8.751 7.800 ( -9.539 -4.308 -2.280) 10.712 7.800 ( -9.539 4.308 -2.280) 10.712 8.003 ( 1.420 -3.405 3.668) 5.202 8.003 ( 1.420 3.405 3.668) 5.202 8.172 ( -6.308 -4.996 -2.067) 8.308 8.172 ( -6.308 4.996 -2.067) 8.308 8.703 ( 3.067 -5.365 3.415) 7.061 8.703 ( 3.067 5.365 3.415) 7.061 8.783 ( 0.738 -0.334 2.543) 2.669 8.783 ( 0.738 0.334 2.543) 2.669 8.919 ( 6.776 -1.208 0.991) 6.954 8.919 ( 6.776 1.208 0.991) 6.954 9.134 ( -2.409 -2.562 -5.045) 6.150 9.134 ( -2.409 2.562 -5.045) 6.150 9.278 ( 4.305 -1.578 -8.405) 9.574 9.278 ( 4.305 1.578 -8.405) 9.574 9.458 ( -3.145 -2.873 -7.793) 8.881 9.458 ( -3.145 2.873 -7.793) 8.881 11.086 ( 0.282 -1.415 3.286) 3.589 11.086 ( 0.282 1.415 3.286) 3.589 11.188 ( -2.067 -2.708 1.129) 3.589 11.188 ( -2.067 2.708 1.129) 3.589 11.271 ( 1.050 -4.058 1.183) 4.356 11.271 ( 1.050 4.058 1.183) 4.356 11.396 ( -3.216 -3.490 -3.174) 5.710 11.396 ( -3.216 3.490 -3.174) 5.710 11.909 ( 3.506 -1.260 -2.339) 4.399 11.909 ( 3.506 1.260 -2.339) 4.399 12.007 ( -0.371 -0.622 -3.605) 3.677 12.007 ( -0.371 0.622 -3.605) 3.677 12.487 ( 2.542 -4.926 1.463) 5.733 12.487 ( 2.542 4.926 1.463) 5.733 12.616 ( -2.830 -5.380 2.372) 6.525 12.616 ( -2.830 5.380 2.372) 6.525 12.948 ( 2.451 -2.183 4.509) 5.577 12.948 ( 2.451 2.183 4.509) 5.577 13.063 ( -2.575 -3.348 4.249) 5.991 13.063 ( -2.575 3.348 4.249) 5.991 14.254 ( 4.915 -3.311 0.175) 5.929 14.254 ( 4.915 3.311 0.175) 5.929 14.496 ( -5.688 -2.083 0.030) 6.057 14.496 ( -5.688 2.083 0.030) 6.057 15.142 ( 2.489 -2.364 -14.896) 15.286 15.142 ( 2.489 2.364 -14.896) 15.286 15.229 ( -1.434 -5.345 -12.902) 14.039 15.229 ( -1.434 5.345 -12.902) 14.039 20.370 ( 2.911 -0.704 -1.458) 3.331 20.370 ( 2.911 0.704 -1.458) 3.331 20.501 ( -2.719 -1.428 -2.702) 4.090 20.501 ( -2.719 1.428 -2.702) 4.090 21.454 ( 2.302 -2.982 5.703) 6.834 21.454 ( 2.302 2.982 5.703) 6.834 21.579 ( -3.147 -1.670 6.560) 7.465 21.579 ( -3.147 1.670 6.560) 7.465 21.957 ( 0.613 -1.959 -0.895) 2.239 21.957 ( 0.613 1.959 -0.895) 2.239 21.990 ( -0.689 -1.852 -2.179) 2.942 21.990 ( -0.689 1.852 -2.179) 2.942 22.430 ( 2.975 -3.873 -6.550) 8.170 22.430 ( 2.975 3.873 -6.550) 8.170 22.552 ( -2.299 -1.854 -5.861) 6.563 22.552 ( -2.299 1.854 -5.861) 6.563 23.247 ( 0.808 -0.656 3.699) 3.842 23.247 ( 0.808 0.656 3.699) 3.842 23.301 ( -1.708 -2.298 4.102) 5.002 23.301 ( -1.708 2.298 4.102) 5.002 23.633 ( 5.199 -4.265 3.385) 7.529 23.633 ( 5.199 4.265 3.385) 7.529 23.862 ( -4.923 -8.204 -0.927) 9.613 23.862 ( -4.923 8.204 -0.927) 9.613 25.354 ( 2.332 -0.652 -0.079) 2.423 25.354 ( 2.332 0.652 -0.079) 2.423 25.448 ( -1.751 -1.650 -1.987) 3.121 25.448 ( -1.751 1.650 -1.987) 3.121 ======================= Grid point 124 (48/72) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -8.215 -9.763 1.591) 12.858 1.821 ( 7.075 -9.537 1.591) 11.981 1.821 ( -7.075 9.537 1.591) 11.981 1.821 ( 8.215 9.763 1.591) 12.858 2.161 ( -7.557 -9.008 7.526) 13.960 2.161 ( 6.784 -8.853 7.526) 13.455 2.161 ( -6.784 8.853 7.526) 13.455 2.161 ( 7.557 9.008 7.526) 13.960 2.747 ( -5.170 -6.624 -3.382) 9.058 2.747 ( 4.811 -6.556 -3.382) 8.807 2.747 ( -4.811 6.556 -3.382) 8.807 2.747 ( 5.170 6.624 -3.382) 9.058 3.233 ( -3.978 -5.423 4.641) 8.171 3.233 ( 2.839 -5.241 4.641) 7.554 3.233 ( -2.839 5.241 4.641) 7.554 3.233 ( 3.978 5.423 4.641) 8.171 3.644 ( -2.846 -1.974 -2.820) 4.467 3.644 ( 0.552 -1.396 -2.820) 3.195 3.644 ( -0.552 1.396 -2.820) 3.195 3.644 ( 2.846 1.974 -2.820) 4.467 3.948 ( -4.654 -5.380 -0.706) 7.149 3.948 ( 1.587 -4.915 -0.706) 5.213 3.948 ( -1.587 4.915 -0.706) 5.213 3.948 ( 4.654 5.380 -0.706) 7.149 4.217 ( -3.347 -4.779 -5.474) 8.000 4.217 ( 3.268 -4.766 -5.474) 7.960 4.217 ( -3.268 4.766 -5.474) 7.960 4.217 ( 3.347 4.779 -5.474) 8.000 4.724 ( -5.834 -3.876 -0.285) 7.010 4.724 ( -0.146 -2.554 -0.285) 2.574 4.724 ( 0.146 2.554 -0.285) 2.574 4.724 ( 5.834 3.876 -0.285) 7.010 5.017 ( -5.176 -5.771 -3.131) 8.360 5.017 ( 3.506 -5.448 -3.131) 7.195 5.017 ( -3.506 5.448 -3.131) 7.195 5.017 ( 5.176 5.771 -3.131) 8.360 5.399 ( -2.165 -2.419 1.589) 3.614 5.399 ( 1.353 -2.267 1.589) 3.081 5.399 ( -1.353 2.267 1.589) 3.081 5.399 ( 2.165 2.419 1.589) 3.614 5.895 ( -3.496 -4.116 -0.984) 5.490 5.895 ( 1.271 -3.780 -0.984) 4.108 5.895 ( -1.271 3.780 -0.984) 4.108 5.895 ( 3.496 4.116 -0.984) 5.490 6.268 ( -0.968 -3.742 6.509) 7.570 6.268 ( -0.441 -3.717 6.509) 7.509 6.268 ( 0.441 3.717 6.509) 7.509 6.268 ( 0.968 3.742 6.509) 7.570 6.910 ( -2.806 -1.267 -0.313) 3.095 6.910 ( -1.237 0.138 -0.313) 1.283 6.910 ( 1.237 -0.138 -0.313) 1.283 6.910 ( 2.806 1.267 -0.313) 3.095 7.340 ( -13.259 -3.559 2.577) 13.968 7.340 ( -11.447 -1.214 2.577) 11.796 7.340 ( 11.447 1.214 2.577) 11.796 7.340 ( 13.259 3.559 2.577) 13.968 7.657 ( -4.702 -6.419 0.373) 7.966 7.657 ( 4.584 -6.398 0.373) 7.879 7.657 ( -4.584 6.398 0.373) 7.879 7.657 ( 4.702 6.419 0.373) 7.966 8.061 ( -4.739 -4.440 1.017) 6.573 8.061 ( 2.794 -4.007 1.017) 4.989 8.061 ( -2.794 4.007 1.017) 4.989 8.061 ( 4.739 4.440 1.017) 6.573 8.761 ( -2.590 -3.859 2.718) 5.384 8.761 ( 2.487 -3.842 2.718) 5.323 8.761 ( -2.487 3.842 2.718) 5.323 8.761 ( 2.590 3.859 2.718) 5.384 9.053 ( -6.383 -1.864 -2.065) 6.963 9.053 ( -5.662 1.142 -2.065) 6.134 9.053 ( 5.662 -1.142 -2.065) 6.134 9.053 ( 6.383 1.864 -2.065) 6.963 9.375 ( -5.329 -2.836 -8.522) 10.443 9.375 ( -0.798 -1.049 -8.522) 8.623 9.375 ( 0.798 1.049 -8.522) 8.623 9.375 ( 5.329 2.836 -8.522) 10.443 11.121 ( -3.467 -0.635 1.635) 3.885 11.121 ( -3.272 0.274 1.635) 3.668 11.121 ( 3.272 -0.274 1.635) 3.668 11.121 ( 3.467 0.635 1.635) 3.885 11.327 ( -3.640 -4.687 -0.025) 5.935 11.327 ( 2.413 -4.485 -0.025) 5.093 11.327 ( -2.413 4.485 -0.025) 5.093 11.327 ( 3.640 4.687 -0.025) 5.935 11.975 ( -2.677 -1.609 -3.527) 4.711 11.975 ( -1.121 -1.054 -3.527) 3.848 11.975 ( 1.121 1.054 -3.527) 3.848 11.975 ( 2.677 1.609 -3.527) 4.711 12.550 ( -3.700 -5.985 2.092) 7.341 12.550 ( 3.029 -5.890 2.092) 6.946 12.550 ( -3.029 5.890 2.092) 6.946 12.550 ( 3.700 5.985 2.092) 7.341 13.005 ( -3.180 -3.953 4.293) 6.646 13.005 ( 2.089 -3.767 4.293) 6.081 13.005 ( -2.089 3.767 4.293) 6.081 13.005 ( 3.180 3.953 4.293) 6.646 14.371 ( -6.811 -2.655 0.070) 7.311 14.371 ( -4.390 -0.520 0.070) 4.421 14.371 ( 4.390 0.520 0.070) 4.421 14.371 ( 6.811 2.656 0.070) 7.311 15.192 ( -2.482 -4.395 -13.759) 14.656 15.192 ( 2.277 -4.367 -13.759) 14.614 15.192 ( -2.277 4.367 -13.759) 14.614 15.192 ( 2.482 4.395 -13.759) 14.656 20.437 ( -3.565 -0.999 -2.233) 4.324 20.437 ( -3.066 -0.411 -2.233) 3.815 20.437 ( 3.066 0.411 -2.233) 3.815 20.437 ( 3.565 0.999 -2.233) 4.324 21.512 ( -3.510 -3.138 6.042) 7.660 21.512 ( 1.658 -2.731 6.042) 6.834 21.512 ( -1.658 2.731 6.042) 6.834 21.512 ( 3.510 3.138 6.042) 7.660 21.973 ( -0.615 -2.674 -1.362) 3.063 21.973 ( 0.301 -2.661 -1.362) 3.004 21.973 ( -0.301 2.661 -1.362) 3.004 21.973 ( 0.615 2.674 -1.362) 3.063 22.495 ( -3.698 -2.760 -6.190) 7.721 22.495 ( 3.604 -2.729 -6.190) 7.665 22.495 ( -3.604 2.729 -6.190) 7.665 22.495 ( 3.698 2.760 -6.190) 7.721 23.269 ( -0.505 -5.307 4.008) 6.670 23.269 ( 0.069 -5.301 4.008) 6.646 23.269 ( -0.069 5.301 4.008) 6.646 23.269 ( 0.505 5.307 4.008) 6.670 23.749 ( -6.646 -6.674 1.297) 9.508 23.749 ( 5.219 -6.349 1.297) 8.321 23.749 ( -5.219 6.349 1.297) 8.321 23.749 ( 6.646 6.674 1.297) 9.508 25.404 ( -2.779 -1.311 -1.164) 3.286 25.404 ( -0.940 -0.098 -1.164) 1.500 25.404 ( 0.940 0.098 -1.164) 1.500 25.404 ( 2.779 1.311 -1.164) 3.286 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 0.000 -12.643) 12.643 1.813 ( 0.000 0.000 13.554) 13.554 1.930 ( 0.000 0.000 -16.564) 16.564 2.238 ( 0.000 0.000 -9.191) 9.191 2.269 ( 0.000 0.000 8.101) 8.101 2.388 ( 0.000 0.000 16.256) 16.256 2.403 ( 0.000 0.000 17.671) 17.671 2.437 ( 0.000 0.000 0.093) 0.093 2.486 ( 0.000 0.000 7.318) 7.318 2.747 ( 0.000 0.000 4.702) 4.702 2.852 ( 0.000 0.000 -5.541) 5.541 2.929 ( 0.000 0.000 -7.638) 7.638 2.973 ( 0.000 0.000 -2.321) 2.321 3.055 ( 0.000 0.000 -5.518) 5.518 3.239 ( 0.000 0.000 4.841) 4.841 3.265 ( 0.000 0.000 -12.715) 12.715 3.417 ( 0.000 0.000 -5.903) 5.903 3.442 ( 0.000 0.000 -14.779) 14.779 3.466 ( 0.000 0.000 3.278) 3.278 3.556 ( 0.000 0.000 -1.630) 1.630 3.621 ( 0.000 0.000 5.155) 5.155 3.626 ( 0.000 0.000 -7.614) 7.614 3.893 ( 0.000 0.000 12.669) 12.669 4.065 ( 0.000 0.000 1.718) 1.718 4.065 ( 0.000 0.000 3.789) 3.789 4.071 ( 0.000 0.000 0.851) 0.851 4.420 ( 0.000 0.000 10.393) 10.393 4.470 ( 0.000 0.000 1.509) 1.509 4.528 ( 0.000 0.000 -1.877) 1.877 4.530 ( 0.000 0.000 5.434) 5.434 4.693 ( 0.000 0.000 2.500) 2.500 4.705 ( 0.000 0.000 2.425) 2.425 4.804 ( 0.000 0.000 -8.680) 8.680 4.821 ( 0.000 0.000 -3.783) 3.783 5.229 ( 0.000 0.000 -0.613) 0.613 5.242 ( 0.000 0.000 -1.475) 1.475 5.364 ( 0.000 0.000 -1.834) 1.834 5.431 ( 0.000 0.000 -5.599) 5.599 5.519 ( 0.000 0.000 0.511) 0.511 5.694 ( 0.000 0.000 3.108) 3.108 5.803 ( 0.000 0.000 -8.873) 8.873 5.903 ( 0.000 0.000 -5.094) 5.094 6.119 ( 0.000 0.000 -4.594) 4.594 6.141 ( 0.000 0.000 -5.885) 5.885 6.328 ( 0.000 0.000 3.451) 3.451 6.351 ( 0.000 0.000 3.954) 3.954 6.410 ( 0.000 0.000 10.460) 10.460 6.451 ( 0.000 0.000 5.323) 5.323 6.520 ( 0.000 0.000 4.783) 4.783 6.692 ( 0.000 0.000 -5.313) 5.313 6.705 ( 0.000 0.000 8.942) 8.942 6.768 ( 0.000 0.000 -1.041) 1.041 6.824 ( 0.000 0.000 1.335) 1.335 6.910 ( 0.000 0.000 2.681) 2.681 7.302 ( 0.000 0.000 -0.822) 0.822 7.325 ( 0.000 0.000 -1.086) 1.086 7.762 ( 0.000 0.000 3.980) 3.980 7.816 ( 0.000 0.000 -0.911) 0.911 7.832 ( 0.000 0.000 -5.522) 5.522 7.952 ( 0.000 0.000 -4.984) 4.984 8.134 ( 0.000 0.000 5.425) 5.425 8.335 ( 0.000 0.000 -1.763) 1.763 8.351 ( 0.000 0.000 -2.148) 2.148 8.390 ( 0.000 0.000 6.967) 6.967 8.455 ( 0.000 0.000 -12.839) 12.839 8.609 ( 0.000 0.000 2.613) 2.613 8.663 ( 0.000 0.000 -7.110) 7.110 8.695 ( 0.000 0.000 -2.483) 2.483 8.793 ( 0.000 0.000 7.173) 7.173 8.914 ( 0.000 0.000 0.019) 0.019 9.082 ( 0.000 0.000 3.094) 3.094 9.120 ( 0.000 0.000 -3.391) 3.391 9.150 ( 0.000 0.000 0.189) 0.189 9.270 ( 0.000 0.000 -7.654) 7.654 9.497 ( 0.000 0.000 -2.062) 2.062 9.546 ( 0.000 0.000 -4.130) 4.130 11.049 ( 0.000 0.000 1.058) 1.058 11.072 ( 0.000 0.000 -0.457) 0.457 11.137 ( 0.000 0.000 5.017) 5.017 11.294 ( 0.000 0.000 -2.844) 2.844 11.464 ( 0.000 0.000 1.403) 1.403 11.471 ( 0.000 0.000 0.914) 0.914 11.529 ( 0.000 0.000 -0.496) 0.496 11.532 ( 0.000 0.000 -1.434) 1.434 11.735 ( 0.000 0.000 4.075) 4.075 11.738 ( 0.000 0.000 2.567) 2.567 12.039 ( 0.000 0.000 1.843) 1.843 12.065 ( 0.000 0.000 -0.372) 0.372 12.105 ( 0.000 0.000 3.014) 3.014 12.214 ( 0.000 0.000 -1.865) 1.865 12.443 ( 0.000 0.000 3.630) 3.630 12.569 ( 0.000 0.000 -0.965) 0.965 12.967 ( 0.000 0.000 2.184) 2.184 13.023 ( 0.000 0.000 0.378) 0.378 13.024 ( 0.000 0.000 1.407) 1.407 13.046 ( 0.000 0.000 0.204) 0.204 14.275 ( 0.000 0.000 4.239) 4.239 14.534 ( 0.000 0.000 -1.466) 1.466 14.626 ( 0.000 0.000 -9.977) 9.977 14.634 ( 0.000 0.000 -12.462) 12.462 14.750 ( 0.000 0.000 -1.196) 1.196 14.845 ( 0.000 0.000 -6.316) 6.316 14.962 ( 0.000 0.000 5.195) 5.195 15.247 ( 0.000 0.000 -8.385) 8.385 20.334 ( 0.000 0.000 0.818) 0.818 20.389 ( 0.000 0.000 -1.668) 1.668 20.497 ( 0.000 0.000 0.010) 0.010 20.576 ( 0.000 0.000 -4.786) 4.786 21.379 ( 0.000 0.000 3.679) 3.679 21.480 ( 0.000 0.000 -1.657) 1.657 21.681 ( 0.000 0.000 0.554) 0.554 21.708 ( 0.000 0.000 -0.792) 0.792 21.794 ( 0.000 0.000 2.733) 2.733 21.850 ( 0.000 0.000 4.421) 4.421 21.868 ( 0.000 0.000 -1.039) 1.039 22.013 ( 0.000 0.000 -3.706) 3.706 22.217 ( 0.000 0.000 3.241) 3.241 22.410 ( 0.000 0.000 -6.450) 6.450 22.415 ( 0.000 0.000 0.345) 0.345 22.508 ( 0.000 0.000 -4.225) 4.225 23.072 ( 0.000 0.000 2.323) 2.323 23.131 ( 0.000 0.000 -0.524) 0.524 23.256 ( 0.000 0.000 0.540) 0.540 23.381 ( 0.000 0.000 -6.067) 6.067 23.849 ( 0.000 0.000 5.945) 5.945 23.868 ( 0.000 0.000 5.857) 5.857 24.019 ( 0.000 0.000 6.812) 6.812 24.322 ( 0.000 0.000 -7.846) 7.846 25.328 ( 0.000 0.000 0.518) 0.518 25.369 ( 0.000 0.000 -0.718) 0.718 25.395 ( 0.000 0.000 1.527) 1.527 25.497 ( 0.000 0.000 -2.942) 2.942 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 1.936 0.000 -12.399) 12.549 1.829 ( 2.193 0.000 13.922) 14.093 1.901 ( -2.824 0.000 -15.100) 15.362 2.078 ( -10.867 0.000 6.947) 12.898 2.260 ( -0.413 0.000 9.345) 9.354 2.328 ( -3.856 0.000 12.133) 12.731 2.493 ( 4.005 0.000 -0.619) 4.052 2.537 ( 3.979 0.000 8.135) 9.056 2.569 ( 11.758 0.000 0.967) 11.798 2.780 ( 2.198 0.000 2.042) 3.001 2.792 ( -3.420 0.000 -5.405) 6.396 2.895 ( -6.019 0.000 -2.056) 6.360 2.997 ( 4.466 0.000 -5.290) 6.923 3.080 ( 0.619 0.000 -5.432) 5.467 3.182 ( -3.593 0.000 1.076) 3.751 3.235 ( -4.460 0.000 -11.516) 12.349 3.430 ( 1.899 0.000 -10.799) 10.964 3.497 ( 3.049 0.000 -9.118) 9.614 3.499 ( 3.191 0.000 1.930) 3.730 3.566 ( 0.528 0.000 -1.636) 1.719 3.605 ( 2.716 0.000 0.900) 2.861 3.710 ( 6.068 0.000 5.811) 8.402 3.846 ( -4.890 0.000 13.194) 14.071 4.007 ( -6.686 0.000 6.033) 9.005 4.067 ( 0.356 0.000 1.694) 1.731 4.074 ( 0.191 0.000 0.970) 0.988 4.368 ( -0.342 0.000 0.197) 0.395 4.446 ( -1.854 0.000 0.829) 2.031 4.478 ( -3.692 0.000 -1.013) 3.829 4.597 ( -7.821 0.000 -4.382) 8.965 4.648 ( 7.221 0.000 7.061) 10.099 4.776 ( 5.755 0.000 1.392) 5.921 4.812 ( -0.425 0.000 1.421) 1.483 4.849 ( 2.226 0.000 -2.469) 3.324 5.209 ( -1.780 0.000 -0.857) 1.975 5.221 ( -2.053 0.000 -1.570) 2.585 5.345 ( -0.635 0.000 -1.743) 1.855 5.409 ( -1.440 0.000 -3.212) 3.520 5.525 ( -0.907 0.000 -3.941) 4.044 5.649 ( -4.663 0.000 -2.814) 5.446 5.830 ( 2.626 0.000 -3.144) 4.096 5.922 ( 3.422 0.000 -3.963) 5.236 6.111 ( 0.031 0.000 -1.482) 1.483 6.196 ( 2.080 0.000 -5.495) 5.876 6.328 ( 0.828 0.000 4.796) 4.867 6.375 ( 0.488 0.000 5.971) 5.991 6.418 ( 0.914 0.000 8.748) 8.796 6.471 ( 3.144 0.000 1.291) 3.399 6.495 ( -3.348 0.000 5.966) 6.841 6.616 ( -1.017 0.000 2.693) 2.878 6.656 ( -3.823 0.000 -4.628) 6.003 6.733 ( -4.149 0.000 0.948) 4.256 6.991 ( 14.196 0.000 2.630) 14.438 7.059 ( 11.093 0.000 0.304) 11.098 7.302 ( 0.081 0.000 -0.884) 0.887 7.318 ( -0.644 0.000 -1.089) 1.265 7.692 ( -6.654 0.000 4.036) 7.782 7.812 ( -0.162 0.000 -1.139) 1.151 7.822 ( -12.575 0.000 -2.128) 12.754 7.829 ( -0.495 0.000 -4.040) 4.071 8.166 ( 3.334 0.000 4.772) 5.821 8.277 ( -3.781 0.000 0.732) 3.852 8.311 ( -4.213 0.000 -0.956) 4.320 8.339 ( -4.492 0.000 4.168) 6.128 8.496 ( 3.536 0.000 -10.206) 10.801 8.559 ( -1.850 0.000 2.640) 3.224 8.637 ( -2.782 0.000 -8.025) 8.494 8.665 ( -4.500 0.000 -1.870) 4.873 8.860 ( 5.918 0.000 5.046) 7.777 8.955 ( 3.904 0.000 -0.428) 3.927 9.089 ( 1.702 0.000 -1.402) 2.205 9.197 ( 3.822 0.000 -1.101) 3.977 9.234 ( 3.554 0.000 -1.700) 3.940 9.285 ( 6.561 0.000 -6.632) 9.330 9.444 ( -5.029 0.000 -0.793) 5.091 9.532 ( -2.230 0.000 -4.892) 5.377 11.041 ( -0.011 0.000 2.290) 2.290 11.082 ( -0.615 0.000 1.134) 1.290 11.146 ( 2.023 0.000 2.411) 3.147 11.268 ( -2.708 0.000 -2.392) 3.614 11.469 ( 0.574 0.000 0.737) 0.934 11.479 ( 0.486 0.000 0.571) 0.750 11.534 ( 0.923 0.000 -1.256) 1.559 11.550 ( 1.201 0.000 -1.050) 1.596 11.735 ( 0.064 0.000 3.722) 3.723 11.738 ( 0.005 0.000 3.095) 3.095 11.982 ( -2.692 0.000 2.754) 3.851 12.060 ( -2.921 0.000 -2.060) 3.575 12.135 ( 2.747 0.000 2.053) 3.430 12.209 ( -0.644 0.000 -1.250) 1.406 12.466 ( 2.662 0.000 4.149) 4.929 12.562 ( -1.031 0.000 0.210) 1.052 12.973 ( 0.678 0.000 1.969) 2.082 13.009 ( -0.964 0.000 1.079) 1.447 13.032 ( 0.367 0.000 0.744) 0.830 13.043 ( -0.228 0.000 0.289) 0.368 14.311 ( 3.882 0.000 2.954) 4.878 14.550 ( -7.403 0.000 -6.751) 10.018 14.562 ( 2.937 0.000 -1.277) 3.202 14.658 ( 2.593 0.000 -8.955) 9.322 14.722 ( -2.246 0.000 -1.635) 2.778 14.821 ( -2.643 0.000 -7.069) 7.546 15.033 ( 6.112 0.000 -0.071) 6.112 15.220 ( -2.917 0.000 -7.561) 8.104 20.366 ( 3.366 0.000 0.213) 3.372 20.407 ( 1.854 0.000 -1.493) 2.380 20.484 ( -1.456 0.000 -0.480) 1.534 20.541 ( -3.552 0.000 -4.151) 5.463 21.398 ( 2.088 0.000 3.587) 4.150 21.484 ( -0.190 0.000 -0.595) 0.625 21.644 ( -2.145 0.000 0.405) 2.183 21.695 ( -2.003 0.000 -1.853) 2.729 21.800 ( 0.645 0.000 2.885) 2.956 21.838 ( -1.046 0.000 3.908) 4.046 21.880 ( 1.356 0.000 -0.941) 1.650 21.974 ( -3.289 0.000 -2.348) 4.041 22.266 ( 4.257 0.000 1.146) 4.409 22.394 ( -1.782 0.000 -5.035) 5.341 22.443 ( 2.676 0.000 -0.117) 2.678 22.509 ( -0.135 0.000 -3.386) 3.388 23.073 ( 0.305 0.000 1.885) 1.910 23.116 ( -1.481 0.000 -0.149) 1.488 23.273 ( 1.820 0.000 -0.648) 1.932 23.362 ( -1.959 0.000 -5.296) 5.646 23.850 ( 0.759 0.000 6.853) 6.895 23.885 ( 0.533 0.000 7.041) 7.061 24.047 ( 3.584 0.000 3.606) 5.084 24.269 ( -5.451 0.000 -5.902) 8.034 25.337 ( 1.037 0.000 0.494) 1.149 25.379 ( -0.168 0.000 -1.229) 1.241 25.399 ( 1.529 0.000 1.228) 1.961 25.482 ( -1.593 0.000 -2.583) 3.035 ======================= Grid point 142 (51/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -3.271 0.000 -12.927) 13.334 1.842 ( 3.271 0.000 -12.927) 13.334 1.910 ( -6.955 0.000 12.967) 14.714 1.910 ( 6.955 0.000 12.967) 14.714 2.272 ( -1.995 0.000 10.602) 10.788 2.272 ( 1.995 0.000 10.602) 10.788 2.560 ( -2.267 0.000 1.411) 2.671 2.560 ( 2.267 0.000 1.411) 2.671 2.752 ( -6.609 0.000 -3.391) 7.428 2.752 ( 6.609 0.000 -3.391) 7.428 2.793 ( -4.047 0.000 -1.678) 4.381 2.793 ( 4.047 0.000 -1.678) 4.381 3.062 ( -2.407 0.000 -4.855) 5.419 3.062 ( 2.407 0.000 -4.855) 5.419 3.158 ( -1.977 0.000 -4.002) 4.464 3.158 ( 1.977 0.000 -4.002) 4.464 3.482 ( -3.032 0.000 -11.893) 12.274 3.482 ( 3.032 0.000 -11.893) 12.274 3.555 ( -2.081 0.000 -0.548) 2.152 3.555 ( 2.081 0.000 -0.548) 2.152 3.726 ( -7.712 0.000 12.885) 15.017 3.726 ( 7.712 0.000 12.885) 15.017 3.850 ( -8.987 0.000 6.363) 11.012 3.850 ( 8.987 0.000 6.363) 11.012 4.074 ( -0.254 0.000 1.397) 1.420 4.074 ( 0.254 0.000 1.397) 1.420 4.432 ( -0.900 0.000 -0.203) 0.923 4.432 ( 0.900 0.000 -0.203) 0.923 4.441 ( -7.487 0.000 -7.495) 10.594 4.441 ( 7.487 0.000 -7.495) 10.594 4.766 ( -4.732 0.000 7.315) 8.712 4.766 ( 4.732 0.000 7.315) 8.712 4.858 ( -2.165 0.000 -0.088) 2.167 4.858 ( 2.165 0.000 -0.088) 2.167 5.191 ( -0.478 0.000 -1.503) 1.577 5.191 ( 0.478 0.000 -1.503) 1.577 5.368 ( -2.775 0.000 -0.899) 2.917 5.368 ( 2.775 0.000 -0.899) 2.917 5.548 ( -4.458 0.000 -7.362) 8.607 5.548 ( 4.458 0.000 -7.362) 8.607 5.916 ( -4.430 0.000 -0.977) 4.537 5.916 ( 4.430 0.000 -0.977) 4.537 6.160 ( -4.624 0.000 -1.783) 4.956 6.160 ( 4.624 0.000 -1.783) 4.956 6.356 ( -1.857 0.000 6.403) 6.667 6.356 ( 1.857 0.000 6.403) 6.667 6.443 ( -1.820 0.000 6.491) 6.742 6.443 ( 1.820 0.000 6.491) 6.742 6.563 ( -5.857 0.000 -2.662) 6.434 6.563 ( 5.857 0.000 -2.662) 6.434 6.659 ( -3.959 0.000 0.421) 3.982 6.659 ( 3.959 0.000 0.421) 3.982 7.187 ( -1.953 0.000 -0.886) 2.145 7.187 ( 1.953 0.000 -0.886) 2.145 7.307 ( -0.458 0.000 -1.028) 1.125 7.307 ( 0.458 0.000 -1.028) 1.125 7.620 ( -3.929 0.000 3.362) 5.171 7.620 ( 3.929 0.000 3.362) 5.171 7.817 ( -0.631 0.000 -2.005) 2.102 7.817 ( 0.631 0.000 -2.005) 2.102 8.247 ( -5.179 0.000 3.974) 6.528 8.247 ( 5.179 0.000 3.974) 6.528 8.249 ( -1.276 0.000 1.662) 2.095 8.249 ( 1.276 0.000 1.662) 2.095 8.570 ( -4.217 0.000 -9.452) 10.350 8.570 ( 4.217 0.000 -9.452) 10.350 8.580 ( -3.645 0.000 0.327) 3.660 8.580 ( 3.645 0.000 0.327) 3.660 8.958 ( -3.691 0.000 2.113) 4.253 8.958 ( 3.691 0.000 2.113) 4.253 9.163 ( -4.940 0.000 -6.094) 7.845 9.163 ( 4.940 0.000 -6.094) 7.845 9.329 ( -6.334 0.000 1.753) 6.572 9.329 ( 6.334 0.000 1.753) 6.572 9.447 ( -7.091 0.000 -5.643) 9.063 9.447 ( 7.091 0.000 -5.643) 9.063 11.056 ( -1.532 0.000 3.102) 3.460 11.056 ( 1.532 0.000 3.102) 3.460 11.205 ( -3.765 0.000 -1.063) 3.912 11.205 ( 3.765 0.000 -1.063) 3.912 11.480 ( -0.388 0.000 0.253) 0.463 11.480 ( 0.388 0.000 0.253) 0.463 11.555 ( -0.816 0.000 -1.424) 1.641 11.555 ( 0.816 0.000 -1.424) 1.641 11.737 ( -0.126 0.000 3.478) 3.480 11.737 ( 0.126 0.000 3.478) 3.480 11.987 ( -3.306 0.000 0.330) 3.322 11.987 ( 3.306 0.000 0.330) 3.322 12.184 ( -2.197 0.000 0.261) 2.212 12.184 ( 2.197 0.000 0.261) 2.212 12.524 ( -3.042 0.000 2.618) 4.014 12.524 ( 3.042 0.000 2.618) 4.014 12.990 ( -1.060 0.000 1.489) 1.828 12.990 ( 1.060 0.000 1.489) 1.828 13.038 ( -0.314 0.000 0.503) 0.593 13.038 ( 0.314 0.000 0.503) 0.593 14.412 ( -6.988 0.000 -0.749) 7.028 14.412 ( 6.988 0.000 -0.749) 7.028 14.631 ( -4.129 0.000 -1.404) 4.361 14.631 ( 4.129 0.000 -1.404) 4.361 14.754 ( -4.233 0.000 -8.051) 9.096 14.754 ( 4.233 0.000 -8.051) 9.096 15.143 ( -5.377 0.000 -4.973) 7.324 15.143 ( 5.377 0.000 -4.973) 7.324 20.433 ( -2.128 0.000 0.005) 2.128 20.433 ( 2.128 0.000 0.005) 2.128 20.467 ( -2.908 0.000 -3.106) 4.255 20.467 ( 2.908 0.000 -3.106) 4.255 21.450 ( -3.155 0.000 2.565) 4.066 21.450 ( 3.155 0.000 2.565) 4.066 21.648 ( -2.309 0.000 -1.891) 2.984 21.648 ( 2.309 0.000 -1.891) 2.984 21.817 ( -1.143 0.000 3.320) 3.511 21.817 ( 1.143 0.000 3.320) 3.511 21.917 ( -2.666 0.000 -1.332) 2.980 21.917 ( 2.666 0.000 -1.332) 2.980 22.343 ( -3.733 0.000 -1.972) 4.222 22.343 ( 3.733 0.000 -1.972) 4.222 22.491 ( -2.008 0.000 -1.574) 2.551 22.491 ( 2.008 0.000 -1.574) 2.551 23.088 ( -1.302 0.000 0.829) 1.543 23.088 ( 1.302 0.000 0.829) 1.543 23.317 ( -2.701 0.000 -3.182) 4.173 23.317 ( 2.701 0.000 -3.182) 4.173 23.874 ( -1.433 0.000 7.848) 7.978 23.874 ( 1.433 0.000 7.848) 7.978 24.149 ( -6.894 0.000 -1.658) 7.090 24.149 ( 6.894 0.000 -1.658) 7.090 25.361 ( -1.367 0.000 0.191) 1.380 25.361 ( 1.367 0.000 0.191) 1.380 25.442 ( -2.559 0.000 -1.454) 2.943 25.442 ( 2.559 0.000 -1.454) 2.943 ======================= Grid point 145 (52/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.000 -1.194 4.895) 5.038 1.851 ( 0.000 5.528 0.316) 5.537 1.958 ( 0.000 -0.803 -2.112) 2.260 2.136 ( 0.000 -10.510 9.586) 14.226 2.240 ( 0.000 -1.014 -9.441) 9.496 2.296 ( 0.000 1.770 1.240) 2.161 2.410 ( 0.000 1.277 10.463) 10.541 2.446 ( 0.000 -1.481 1.334) 1.993 2.512 ( 0.000 2.213 9.530) 9.784 2.717 ( 0.000 -8.140 4.423) 9.264 2.767 ( 0.000 -9.591 -10.462) 14.192 2.874 ( 0.000 -1.284 -5.842) 5.982 3.045 ( 0.000 -0.815 -7.994) 8.035 3.081 ( 0.000 12.557 1.139) 12.608 3.288 ( 0.000 1.244 -2.998) 3.246 3.357 ( 0.000 2.784 -1.602) 3.212 3.430 ( 0.000 1.281 0.786) 1.503 3.455 ( 0.000 6.313 -4.666) 7.850 3.561 ( 0.000 8.047 -2.538) 8.437 3.573 ( 0.000 0.299 -0.517) 0.597 3.638 ( 0.000 2.364 0.797) 2.495 3.647 ( 0.000 1.844 -6.143) 6.413 3.889 ( 0.000 0.422 7.756) 7.767 4.067 ( 0.000 -0.682 0.650) 0.942 4.072 ( 0.000 0.815 -0.426) 0.920 4.084 ( 0.000 1.274 -0.134) 1.281 4.388 ( 0.000 -2.691 6.677) 7.199 4.432 ( 0.000 -6.370 -0.458) 6.386 4.451 ( 0.000 -1.802 1.964) 2.665 4.567 ( 0.000 -0.660 4.818) 4.863 4.660 ( 0.000 -0.481 -1.542) 1.615 4.727 ( 0.000 1.484 2.009) 2.497 4.838 ( 0.000 3.375 -5.826) 6.733 4.903 ( 0.000 6.091 -1.831) 6.361 5.206 ( 0.000 -1.841 0.245) 1.857 5.228 ( 0.000 -1.309 0.346) 1.354 5.382 ( 0.000 1.178 -3.554) 3.744 5.445 ( 0.000 0.892 -5.007) 5.086 5.522 ( 0.000 -0.060 -0.153) 0.165 5.702 ( 0.000 -8.151 -3.908) 9.040 5.711 ( 0.000 1.595 2.359) 2.848 5.892 ( 0.000 -0.525 -3.760) 3.797 6.063 ( 0.000 -6.304 -1.163) 6.410 6.075 ( 0.000 -4.038 -4.992) 6.421 6.280 ( 0.000 -0.571 5.195) 5.226 6.350 ( 0.000 0.147 3.836) 3.839 6.473 ( 0.000 0.947 3.652) 3.773 6.548 ( 0.000 8.643 5.094) 10.032 6.581 ( 0.000 4.552 2.869) 5.381 6.630 ( 0.000 -4.036 -1.860) 4.444 6.741 ( 0.000 3.185 7.345) 8.006 6.768 ( 0.000 -0.123 -1.729) 1.733 6.885 ( 0.000 6.142 2.831) 6.763 7.001 ( 0.000 6.629 1.839) 6.879 7.325 ( 0.000 2.233 -0.650) 2.326 7.372 ( 0.000 4.293 -1.557) 4.567 7.766 ( 0.000 0.210 1.958) 1.969 7.810 ( 0.000 -2.093 -2.792) 3.490 7.822 ( 0.000 0.372 -1.070) 1.133 7.940 ( 0.000 -1.221 -4.820) 4.972 8.116 ( 0.000 -1.194 3.350) 3.557 8.215 ( 0.000 -7.874 -2.003) 8.124 8.335 ( 0.000 -3.685 6.305) 7.303 8.412 ( 0.000 5.733 -0.357) 5.745 8.474 ( 0.000 -5.073 -1.910) 5.421 8.627 ( 0.000 4.803 -8.560) 9.816 8.738 ( 0.000 3.820 -0.946) 3.935 8.744 ( 0.000 6.580 -2.806) 7.154 8.806 ( 0.000 1.265 6.819) 6.935 8.913 ( 0.000 -0.277 0.671) 0.726 9.041 ( 0.000 -3.841 2.838) 4.776 9.102 ( 0.000 -1.719 -3.922) 4.282 9.143 ( 0.000 -0.699 -0.683) 0.978 9.252 ( 0.000 -1.357 -7.300) 7.425 9.440 ( 0.000 -5.126 -1.998) 5.501 9.509 ( 0.000 -3.376 -4.679) 5.770 11.087 ( 0.000 3.424 1.368) 3.687 11.131 ( 0.000 1.613 2.815) 3.244 11.149 ( 0.000 4.305 0.372) 4.321 11.287 ( 0.000 -1.494 -3.914) 4.190 11.341 ( 0.000 -7.869 3.691) 8.692 11.386 ( 0.000 -5.477 2.480) 6.013 11.462 ( 0.000 -4.809 -1.001) 4.912 11.478 ( 0.000 -3.852 -1.834) 4.266 11.807 ( 0.000 3.669 2.570) 4.480 11.856 ( 0.000 4.757 0.310) 4.767 11.996 ( 0.000 -1.646 -1.330) 2.116 12.016 ( 0.000 -1.411 -0.558) 1.517 12.163 ( 0.000 3.783 6.717) 7.709 12.330 ( 0.000 9.678 0.609) 9.698 12.508 ( 0.000 -3.482 -1.752) 3.897 12.535 ( 0.000 7.569 -1.842) 7.789 12.984 ( 0.000 0.901 2.250) 2.424 13.031 ( 0.000 -0.449 0.958) 1.058 13.048 ( 0.000 2.721 3.624) 4.532 13.120 ( 0.000 5.926 2.029) 6.264 14.241 ( 0.000 -2.896 3.693) 4.693 14.470 ( 0.000 -6.018 -2.526) 6.527 14.587 ( 0.000 -2.908 -5.636) 6.342 14.617 ( 0.000 -1.111 -8.826) 8.896 14.798 ( 0.000 3.104 -6.046) 6.796 14.863 ( 0.000 1.826 -6.751) 6.994 14.947 ( 0.000 -1.248 3.271) 3.501 15.219 ( 0.000 -2.697 -9.000) 9.395 20.329 ( 0.000 -0.414 0.556) 0.694 20.376 ( 0.000 -1.195 -1.546) 1.954 20.491 ( 0.000 -0.521 -0.153) 0.543 20.556 ( 0.000 -1.756 -4.063) 4.426 21.404 ( 0.000 2.324 3.861) 4.506 21.499 ( 0.000 1.556 -0.941) 1.819 21.685 ( 0.000 0.428 1.473) 1.534 21.706 ( 0.000 -0.098 0.590) 0.598 21.820 ( 0.000 2.449 2.143) 3.254 21.871 ( 0.000 1.996 3.420) 3.960 21.890 ( 0.000 1.871 -1.433) 2.356 22.013 ( 0.000 -0.048 -3.355) 3.355 22.230 ( 0.000 1.058 2.064) 2.320 22.407 ( 0.000 -0.790 -6.731) 6.777 22.424 ( 0.000 0.978 -0.727) 1.219 22.488 ( 0.000 -1.242 -3.820) 4.017 23.110 ( 0.000 3.597 2.372) 4.309 23.163 ( 0.000 2.969 -0.168) 2.974 23.276 ( 0.000 1.870 0.718) 2.004 23.395 ( 0.000 1.176 -5.387) 5.514 23.804 ( 0.000 -4.196 5.698) 7.077 23.829 ( 0.000 -3.660 5.040) 6.229 23.961 ( 0.000 -5.139 6.556) 8.329 24.242 ( 0.000 -7.470 -6.923) 10.185 25.328 ( 0.000 0.060 0.558) 0.561 25.366 ( 0.000 -0.283 -0.215) 0.355 25.395 ( 0.000 0.102 0.714) 0.722 25.484 ( 0.000 -1.136 -2.776) 3.000 ======================= Grid point 146 (53/72) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.935 -4.191 8.543) 9.562 1.845 ( -0.699 2.928 -3.118) 4.334 1.986 ( 0.193 6.363 -7.399) 9.761 2.060 ( -9.275 0.230 -0.393) 9.287 2.210 ( 6.091 -9.647 13.590) 17.744 2.302 ( 0.725 1.938 4.092) 4.585 2.435 ( -0.905 -3.693 4.608) 5.974 2.480 ( -0.924 -1.856 4.429) 4.890 2.618 ( 11.573 3.215 1.308) 12.082 2.694 ( -0.415 -5.771 0.224) 5.790 2.751 ( -3.796 -9.958 0.311) 10.662 2.883 ( 2.267 -4.398 -10.348) 11.470 3.021 ( -4.526 10.511 -1.367) 11.526 3.064 ( -0.137 -0.117 -8.122) 8.124 3.292 ( 0.078 5.078 -4.115) 6.537 3.349 ( -4.178 9.814 -5.602) 12.048 3.431 ( 3.434 0.290 -4.824) 5.928 3.451 ( 2.810 -0.132 4.020) 4.907 3.565 ( -0.628 -1.058 0.016) 1.230 3.595 ( -1.930 1.751 -5.353) 5.954 3.675 ( 6.916 8.344 0.284) 10.842 3.721 ( 6.230 1.926 2.530) 6.994 3.854 ( -3.588 1.133 8.032) 8.870 4.021 ( -5.482 0.754 1.369) 5.700 4.077 ( 0.322 0.849 0.539) 1.056 4.083 ( 0.050 1.193 0.447) 1.275 4.356 ( -1.414 -4.663 0.535) 4.902 4.383 ( -3.987 -5.916 0.073) 7.134 4.428 ( -0.693 0.571 0.148) 0.911 4.600 ( -2.624 -0.102 -2.535) 3.650 4.669 ( 4.382 0.675 3.763) 5.816 4.793 ( 2.804 2.478 2.653) 4.586 4.818 ( 1.407 0.848 -1.799) 2.436 4.914 ( 0.432 4.505 -1.091) 4.655 5.179 ( -2.260 -2.554 -0.274) 3.421 5.205 ( -2.400 -1.469 -0.680) 2.895 5.362 ( -0.941 1.295 -2.663) 3.107 5.410 ( -2.118 0.087 -2.585) 3.342 5.526 ( -0.811 -0.246 -3.501) 3.602 5.622 ( -5.068 -3.096 -2.778) 6.556 5.787 ( 5.266 -2.523 0.797) 5.893 5.916 ( 1.470 -0.305 -3.469) 3.779 6.055 ( 0.290 -5.361 -0.762) 5.423 6.103 ( 1.331 -6.740 -3.065) 7.523 6.284 ( 0.246 -0.942 6.193) 6.269 6.338 ( -1.654 -0.390 7.113) 7.313 6.477 ( 0.491 0.571 2.016) 2.152 6.537 ( -2.402 -0.697 1.885) 3.132 6.587 ( 3.025 9.192 2.439) 9.979 6.653 ( 0.523 5.034 0.399) 5.077 6.668 ( -0.223 4.639 3.392) 5.751 6.823 ( -2.167 5.012 -2.395) 5.963 7.009 ( 13.120 2.361 3.787) 13.858 7.088 ( 8.948 2.728 1.191) 9.430 7.333 ( 0.919 2.902 -0.906) 3.176 7.368 ( -0.291 4.619 -1.571) 4.887 7.690 ( -7.683 -0.148 2.948) 8.231 7.775 ( -7.332 -3.217 -1.595) 8.163 7.819 ( -0.419 -0.260 -1.681) 1.752 7.832 ( -6.042 -0.456 -2.948) 6.738 8.113 ( -0.210 -2.934 2.486) 3.851 8.169 ( -3.605 -6.909 0.745) 7.828 8.329 ( -0.831 -3.606 4.905) 6.144 8.362 ( -3.541 1.453 1.609) 4.152 8.488 ( 1.574 -0.512 -1.826) 2.465 8.597 ( -3.102 6.590 -6.951) 10.068 8.691 ( -1.119 4.039 -2.362) 4.811 8.740 ( -2.783 6.024 -2.970) 7.270 8.875 ( 5.819 1.252 4.477) 7.448 8.964 ( 4.424 0.790 -0.517) 4.524 9.070 ( 2.752 -2.077 -0.447) 3.477 9.180 ( 5.022 -2.222 -0.819) 5.552 9.221 ( 6.880 -1.995 -2.046) 7.449 9.236 ( -0.021 -2.742 -7.746) 8.217 9.396 ( -4.423 -4.637 -1.037) 6.492 9.485 ( -2.935 -4.050 -5.019) 7.086 11.084 ( -0.040 3.473 2.210) 4.116 11.127 ( -1.867 2.656 2.162) 3.900 11.153 ( 2.141 1.884 0.101) 2.854 11.260 ( -2.619 -1.453 -3.291) 4.450 11.349 ( 0.829 -7.937 3.637) 8.770 11.384 ( -0.407 -6.107 2.913) 6.779 11.466 ( 0.549 -4.713 -1.157) 4.884 11.481 ( 0.104 -3.776 -1.662) 4.127 11.832 ( 2.499 4.354 1.751) 5.317 11.865 ( 1.022 5.519 0.214) 5.617 11.967 ( -3.422 -0.761 0.598) 3.557 11.991 ( -1.273 -1.764 -2.173) 3.075 12.214 ( 4.023 4.877 4.527) 7.776 12.318 ( -1.301 9.122 0.874) 9.256 12.496 ( -0.222 -0.054 -0.531) 0.578 12.536 ( -0.586 2.863 -1.382) 3.233 12.989 ( 0.495 0.636 2.173) 2.318 13.018 ( -0.929 -0.049 1.744) 1.977 13.064 ( 1.260 2.987 2.750) 4.251 13.111 ( -0.926 5.487 2.121) 5.955 14.280 ( 4.048 -2.654 2.526) 5.460 14.475 ( -1.655 -5.609 -4.200) 7.200 14.546 ( -1.328 -2.135 -1.583) 2.971 14.630 ( 0.058 -3.092 -6.058) 6.801 14.760 ( -1.507 3.435 -4.824) 6.111 14.841 ( -2.387 2.020 -7.416) 8.048 15.021 ( 5.919 -1.228 -1.918) 6.342 15.194 ( -2.671 -2.486 -8.270) 9.039 20.360 ( 3.182 -0.588 0.023) 3.236 20.394 ( 1.909 -1.149 -1.422) 2.643 20.476 ( -1.635 -0.688 -0.558) 1.860 20.523 ( -3.393 -1.615 -3.541) 5.164 21.424 ( 2.131 2.372 3.817) 4.974 21.507 ( 0.211 1.940 -0.051) 1.952 21.644 ( -2.534 0.069 1.414) 2.903 21.691 ( -2.149 -0.292 -0.455) 2.216 21.827 ( 0.721 2.503 2.217) 3.421 21.864 ( -0.804 2.327 2.978) 3.864 21.902 ( 1.275 1.817 -1.306) 2.575 21.982 ( -2.630 0.644 -2.389) 3.611 22.278 ( 4.230 0.987 0.590) 4.384 22.391 ( -1.178 -0.110 -4.140) 4.305 22.449 ( 1.586 0.212 -2.353) 2.845 22.483 ( -0.461 -2.038 -3.335) 3.935 23.111 ( 0.245 3.577 2.031) 4.121 23.149 ( -1.358 3.110 0.221) 3.401 23.293 ( 1.763 1.787 -0.370) 2.537 23.377 ( -1.838 1.276 -4.658) 5.168 23.807 ( 0.906 -3.960 6.478) 7.646 23.847 ( 0.584 -3.475 6.305) 7.222 23.985 ( 3.194 -5.713 3.493) 7.419 24.192 ( -5.057 -7.103 -5.243) 10.174 25.338 ( 1.080 0.110 0.449) 1.175 25.380 ( 0.217 0.071 -1.544) 1.560 25.394 ( 0.944 -0.452 1.371) 1.725 25.470 ( -1.520 -1.072 -2.411) 3.045 ======================= Grid point 147 (54/72) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -4.115 -3.733 5.183) 7.598 1.792 ( 4.115 -3.733 5.183) 7.598 1.976 ( -0.907 6.294 -6.713) 9.246 1.976 ( 0.907 6.294 -6.713) 9.246 2.306 ( -1.895 1.098 12.119) 12.316 2.306 ( 1.895 1.098 12.119) 12.316 2.439 ( -2.470 -8.021 3.218) 8.988 2.439 ( 2.470 -8.021 3.218) 8.988 2.687 ( -1.946 -6.879 2.378) 7.534 2.687 ( 1.946 -6.879 2.378) 7.534 2.832 ( -8.748 1.064 -6.235) 10.795 2.832 ( 8.748 1.064 -6.235) 10.795 3.017 ( -3.838 2.161 -6.792) 8.095 3.017 ( 3.838 2.161 -6.792) 8.095 3.298 ( -1.215 8.773 -5.549) 10.452 3.298 ( 1.215 8.773 -5.549) 10.452 3.487 ( -1.519 -0.621 -2.878) 3.313 3.487 ( 1.519 -0.621 -2.878) 3.313 3.562 ( -1.663 0.467 -0.426) 1.780 3.562 ( 1.663 0.467 -0.426) 1.780 3.773 ( -4.828 3.185 7.112) 9.167 3.773 ( 4.828 3.185 7.112) 9.167 3.877 ( -9.295 3.607 2.513) 10.282 3.877 ( 9.295 3.607 2.513) 10.282 4.082 ( -0.216 0.988 0.744) 1.255 4.082 ( 0.216 0.988 0.744) 1.255 4.340 ( -0.253 -7.206 -0.517) 7.229 4.340 ( 0.253 -7.206 -0.517) 7.229 4.489 ( -6.657 3.640 -6.513) 9.999 4.489 ( 6.657 3.640 -6.513) 9.999 4.761 ( -3.890 0.033 6.335) 7.434 4.761 ( 3.890 0.033 6.335) 7.434 4.897 ( -3.036 2.390 -0.263) 3.873 4.897 ( 3.036 2.390 -0.263) 3.873 5.162 ( -1.206 -2.654 -1.526) 3.291 5.162 ( 1.206 -2.654 -1.526) 3.291 5.373 ( -1.929 0.484 -1.026) 2.237 5.373 ( 1.929 0.484 -1.026) 2.237 5.538 ( -3.105 -1.075 -4.972) 5.959 5.538 ( 3.105 -1.075 -4.972) 5.959 5.887 ( -4.579 -2.207 -0.720) 5.134 5.887 ( 4.579 -2.207 -0.720) 5.134 6.091 ( -2.590 -6.186 -1.613) 6.898 6.091 ( 2.590 -6.186 -1.613) 6.898 6.299 ( -1.838 -0.597 9.081) 9.284 6.299 ( 1.838 -0.597 9.081) 9.284 6.498 ( -1.773 -0.645 0.591) 1.977 6.498 ( 1.773 -0.645 0.591) 1.977 6.633 ( -2.208 8.360 2.890) 9.117 6.633 ( 2.208 8.360 2.890) 9.117 6.741 ( -5.798 6.165 -1.726) 8.638 6.741 ( 5.798 6.165 -1.726) 8.638 7.203 ( -2.178 1.931 0.360) 2.933 7.203 ( 2.178 1.931 0.360) 2.933 7.360 ( -1.413 4.696 -1.940) 5.274 7.360 ( 1.413 4.696 -1.940) 5.274 7.591 ( -3.094 -2.705 3.046) 5.115 7.591 ( 3.094 -2.705 3.046) 5.115 7.809 ( -0.360 -1.007 -1.771) 2.069 7.809 ( 0.360 -1.007 -1.771) 2.069 8.120 ( -1.438 -5.185 1.882) 5.700 8.120 ( 1.438 -5.185 1.882) 5.700 8.322 ( -0.700 -1.991 4.026) 4.546 8.322 ( 0.700 -1.991 4.026) 4.546 8.535 ( -3.328 3.701 -3.681) 6.190 8.535 ( 3.328 3.701 -3.681) 6.190 8.696 ( -1.436 6.182 -3.653) 7.323 8.696 ( 1.436 6.182 -3.653) 7.323 8.969 ( -3.553 0.980 1.590) 4.014 8.969 ( 3.553 0.980 1.590) 4.014 9.160 ( -5.389 -0.212 -6.131) 8.166 9.160 ( 5.389 -0.212 -6.131) 8.166 9.284 ( -5.257 -4.559 1.380) 7.094 9.284 ( 5.257 -4.559 1.380) 7.094 9.394 ( -6.795 -4.410 -5.189) 9.619 9.394 ( 6.795 -4.410 -5.189) 9.619 11.095 ( -1.314 3.065 2.540) 4.192 11.095 ( 1.314 3.065 2.540) 4.192 11.205 ( -3.199 -0.342 -1.809) 3.691 11.205 ( 3.199 -0.342 -1.809) 3.691 11.369 ( -1.141 -7.433 3.544) 8.314 11.369 ( 1.141 -7.433 3.544) 8.314 11.478 ( -0.501 -4.175 -1.310) 4.404 11.478 ( 0.501 -4.175 -1.310) 4.404 11.874 ( -1.345 6.460 0.744) 6.640 11.874 ( 1.345 6.460 0.744) 6.640 11.948 ( -2.329 -1.878 -1.410) 3.308 11.948 ( 2.329 -1.878 -1.410) 3.308 12.280 ( -2.929 7.525 2.435) 8.434 12.280 ( 2.929 7.525 2.435) 8.434 12.512 ( -1.632 0.566 -0.304) 1.754 12.512 ( 1.632 0.566 -0.304) 1.754 13.002 ( -0.857 0.197 1.994) 2.179 13.002 ( 0.857 0.197 1.994) 2.179 13.089 ( -1.379 4.326 2.363) 5.119 13.089 ( 1.379 4.326 2.363) 5.119 14.379 ( -6.423 -2.724 -0.878) 7.031 14.379 ( 6.423 -2.724 -0.878) 7.031 14.588 ( -3.749 -4.124 -0.968) 5.657 14.588 ( 3.749 -4.124 -0.968) 5.657 14.785 ( -3.208 2.981 -7.947) 9.074 14.785 ( 3.208 2.981 -7.947) 9.074 15.124 ( -4.966 -1.911 -6.038) 8.048 15.124 ( 4.966 -1.911 -6.038) 8.048 20.424 ( -2.082 -0.765 -0.148) 2.223 20.424 ( 2.082 -0.765 -0.148) 2.223 20.452 ( -2.650 -1.332 -2.751) 4.045 20.452 ( 2.650 -1.332 -2.751) 4.045 21.476 ( -3.162 2.443 2.988) 4.989 21.476 ( 3.162 2.443 2.988) 4.989 21.643 ( -2.269 -0.422 -0.738) 2.423 21.643 ( 2.269 -0.422 -0.738) 2.423 21.845 ( -1.143 2.545 2.511) 3.753 21.845 ( 1.143 2.545 2.511) 3.753 21.935 ( -2.336 1.507 -1.601) 3.208 21.935 ( 2.336 1.507 -1.601) 3.208 22.352 ( -3.285 0.797 -1.785) 3.823 22.352 ( 3.285 0.797 -1.785) 3.823 22.471 ( -0.885 -1.678 -2.655) 3.264 22.471 ( 0.885 -1.678 -2.655) 3.264 23.123 ( -1.155 3.401 1.146) 3.770 23.123 ( 1.155 3.401 1.146) 3.770 23.335 ( -2.550 1.546 -2.692) 4.018 23.335 ( 2.550 1.546 -2.692) 4.018 23.834 ( -1.599 -3.630 7.313) 8.320 23.834 ( 1.599 -3.630 7.313) 8.320 24.080 ( -6.499 -6.396 -1.479) 9.237 24.080 ( 6.499 -6.396 -1.479) 9.237 25.362 ( -1.400 0.174 0.034) 1.411 25.362 ( 1.400 0.174 0.034) 1.411 25.433 ( -2.418 -0.886 -1.297) 2.883 25.433 ( 2.418 -0.886 -1.297) 2.883 ======================= Grid point 150 (55/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 -1.785 5.159) 5.459 1.792 ( 0.000 -8.173 15.997) 17.964 1.982 ( 0.000 6.345 6.404) 9.015 2.119 ( 0.000 1.389 -2.841) 3.162 2.195 ( 0.000 -2.498 -4.560) 5.200 2.303 ( 0.000 -8.950 2.097) 9.192 2.375 ( 0.000 5.352 -3.253) 6.263 2.445 ( 0.000 0.733 1.832) 1.973 2.521 ( 0.000 -1.626 4.157) 4.464 2.573 ( 0.000 -5.617 8.053) 9.818 2.736 ( 0.000 4.418 -0.205) 4.423 2.808 ( 0.000 -3.478 -2.172) 4.101 3.046 ( 0.000 2.041 -12.459) 12.625 3.232 ( 0.000 1.495 -14.169) 14.248 3.267 ( 0.000 -1.252 2.638) 2.920 3.409 ( 0.000 2.116 -3.176) 3.816 3.483 ( 0.000 -1.953 9.973) 10.162 3.560 ( 0.000 7.145 2.039) 7.430 3.594 ( 0.000 1.091 0.483) 1.193 3.634 ( 0.000 0.564 -1.482) 1.585 3.770 ( 0.000 8.097 3.435) 8.795 3.777 ( 0.000 10.116 -7.281) 12.464 3.946 ( 0.000 5.388 -4.355) 6.928 4.036 ( 0.000 -1.790 1.294) 2.209 4.074 ( 0.000 -1.553 -1.702) 2.304 4.106 ( 0.000 0.918 -5.086) 5.168 4.290 ( 0.000 -6.886 -2.742) 7.412 4.293 ( 0.000 -6.740 -0.719) 6.778 4.434 ( 0.000 0.491 0.202) 0.531 4.517 ( 0.000 -3.173 -1.246) 3.409 4.676 ( 0.000 1.322 0.726) 1.508 4.737 ( 0.000 -0.657 0.371) 0.754 4.938 ( 0.000 6.262 -0.072) 6.262 5.030 ( 0.000 5.750 -0.612) 5.782 5.168 ( 0.000 -1.834 1.487) 2.361 5.184 ( 0.000 -3.394 0.819) 3.491 5.388 ( 0.000 -0.654 -3.468) 3.529 5.438 ( 0.000 -2.301 -1.899) 2.984 5.516 ( 0.000 -0.142 2.098) 2.103 5.563 ( 0.000 -3.964 1.012) 4.091 5.751 ( 0.000 2.295 1.468) 2.724 5.877 ( 0.000 -1.574 -0.511) 1.655 5.960 ( 0.000 -2.913 0.516) 2.958 5.979 ( 0.000 -4.263 -5.428) 6.902 6.307 ( 0.000 2.605 5.474) 6.062 6.370 ( 0.000 1.300 4.387) 4.575 6.469 ( 0.000 -0.603 3.328) 3.382 6.553 ( 0.000 -3.463 1.611) 3.819 6.661 ( 0.000 2.990 1.661) 3.421 6.696 ( 0.000 4.013 2.360) 4.655 6.777 ( 0.000 2.158 -2.678) 3.439 6.811 ( 0.000 2.993 2.615) 3.974 7.041 ( 0.000 7.502 3.576) 8.310 7.115 ( 0.000 3.819 2.524) 4.578 7.394 ( 0.000 4.631 -0.336) 4.643 7.479 ( 0.000 5.392 -2.897) 6.121 7.719 ( 0.000 -4.067 0.032) 4.067 7.803 ( 0.000 1.567 0.873) 1.794 7.813 ( 0.000 -2.061 -1.174) 2.372 7.902 ( 0.000 -2.456 -4.424) 5.060 8.092 ( 0.000 -3.431 3.177) 4.676 8.105 ( 0.000 0.250 1.400) 1.422 8.238 ( 0.000 -5.002 5.034) 7.096 8.325 ( 0.000 -7.879 -0.684) 7.908 8.567 ( 0.000 8.811 1.295) 8.906 8.732 ( 0.000 5.052 -2.288) 5.546 8.822 ( 0.000 2.544 5.147) 5.741 8.844 ( 0.000 3.390 2.988) 4.519 8.878 ( 0.000 -3.458 2.104) 4.048 8.895 ( 0.000 6.399 -2.760) 6.969 8.958 ( 0.000 -2.915 -0.491) 2.956 9.060 ( 0.000 -2.039 -5.915) 6.257 9.118 ( 0.000 -1.794 -2.837) 3.357 9.214 ( 0.000 -3.545 -6.100) 7.055 9.334 ( 0.000 -3.210 -3.881) 5.036 9.424 ( 0.000 -4.525 -6.105) 7.600 11.141 ( 0.000 0.761 2.723) 2.827 11.163 ( 0.000 2.497 2.064) 3.240 11.215 ( 0.000 -2.281 5.177) 5.658 11.220 ( 0.000 -1.934 -1.361) 2.365 11.276 ( 0.000 3.985 -3.249) 5.141 11.339 ( 0.000 -4.284 0.728) 4.345 11.351 ( 0.000 -1.946 -2.049) 2.826 11.386 ( 0.000 -4.812 -2.064) 5.236 11.849 ( 0.000 0.752 0.974) 1.231 11.863 ( 0.000 -1.103 -1.054) 1.526 11.981 ( 0.000 -1.388 -1.202) 1.836 11.984 ( 0.000 -1.809 -1.196) 2.169 12.322 ( 0.000 10.353 3.955) 11.083 12.483 ( 0.000 1.364 -2.843) 3.154 12.549 ( 0.000 9.632 3.650) 10.301 12.668 ( 0.000 4.067 -2.060) 4.559 13.004 ( 0.000 1.357 2.117) 2.514 13.016 ( 0.000 -0.699 2.421) 2.520 13.108 ( 0.000 2.360 6.120) 6.559 13.197 ( 0.000 0.664 2.644) 2.726 14.188 ( 0.000 -1.433 2.226) 2.647 14.325 ( 0.000 -7.262 -1.789) 7.479 14.539 ( 0.000 -1.521 -2.050) 2.553 14.578 ( 0.000 -2.464 -5.329) 5.871 14.852 ( 0.000 2.122 -8.070) 8.344 14.905 ( 0.000 0.180 -5.679) 5.681 14.938 ( 0.000 2.697 -4.264) 5.045 15.141 ( 0.000 -4.840 -9.736) 10.873 20.321 ( 0.000 -0.212 -0.035) 0.215 20.347 ( 0.000 -1.421 -1.198) 1.859 20.482 ( 0.000 -0.240 -0.618) 0.663 20.516 ( 0.000 -1.911 -2.611) 3.236 21.462 ( 0.000 3.063 3.869) 4.935 21.526 ( 0.000 0.637 0.882) 1.088 21.699 ( 0.000 0.803 2.831) 2.943 21.707 ( 0.000 0.209 2.694) 2.702 21.887 ( 0.000 3.817 0.732) 3.886 21.918 ( 0.000 2.210 1.439) 2.637 21.928 ( 0.000 1.589 -1.397) 2.116 22.004 ( 0.000 -1.081 -2.289) 2.531 22.254 ( 0.000 1.405 -0.915) 1.677 22.359 ( 0.000 -3.406 -6.070) 6.960 22.455 ( 0.000 1.938 -2.291) 3.000 22.484 ( 0.000 0.572 -3.627) 3.671 23.205 ( 0.000 5.324 2.300) 5.800 23.238 ( 0.000 3.849 0.638) 3.901 23.323 ( 0.000 2.419 1.155) 2.681 23.411 ( 0.000 -0.259 -2.565) 2.578 23.702 ( 0.000 -4.835 4.796) 6.810 23.735 ( 0.000 -5.091 2.827) 5.823 23.855 ( 0.000 -3.518 4.725) 5.891 24.053 ( 0.000 -10.090 -4.757) 11.155 25.332 ( 0.000 0.380 0.629) 0.735 25.357 ( 0.000 -0.634 0.569) 0.852 25.403 ( 0.000 0.737 -0.800) 1.088 25.456 ( 0.000 -1.586 -2.353) 2.838 ======================= Grid point 151 (56/72) ======================= q-point: ( 0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -0.199 -0.129 9.034) 9.037 1.881 ( -1.165 -1.235 4.302) 4.625 1.973 ( 3.038 -4.473 8.095) 9.735 2.112 ( -1.081 0.965 -4.225) 4.467 2.148 ( -0.314 4.369 1.126) 4.523 2.282 ( -1.284 -7.630 2.405) 8.103 2.360 ( -1.697 0.500 -0.768) 1.928 2.447 ( -4.517 -1.648 5.914) 7.622 2.535 ( 2.752 -4.571 5.905) 7.959 2.639 ( 5.191 -1.090 -0.821) 5.368 2.708 ( -0.656 2.311 3.175) 3.981 2.816 ( 1.006 -2.576 -5.335) 6.010 3.089 ( 2.630 3.490 -9.600) 10.548 3.192 ( -3.751 6.611 -5.308) 9.271 3.303 ( 4.627 -3.124 -4.211) 6.993 3.436 ( 1.701 -0.472 -4.225) 4.579 3.478 ( -0.034 -0.191 5.618) 5.621 3.536 ( -4.307 2.639 -1.227) 5.198 3.571 ( 0.087 4.098 3.559) 5.428 3.614 ( -2.094 3.455 -4.197) 5.825 3.756 ( 1.989 3.783 1.793) 4.635 3.870 ( 3.315 6.628 0.201) 7.414 3.919 ( -0.728 6.181 -4.373) 7.606 4.017 ( -1.285 -1.351 2.162) 2.855 4.091 ( 0.983 -0.173 -2.280) 2.489 4.113 ( 0.512 1.365 -4.033) 4.288 4.225 ( -3.667 -5.084 -3.249) 7.060 4.234 ( -5.550 -8.274 -2.448) 10.259 4.495 ( 5.891 3.670 0.189) 6.943 4.586 ( 3.840 -1.220 -2.093) 4.540 4.683 ( 1.716 1.437 2.235) 3.163 4.795 ( 5.356 -1.817 -1.602) 5.879 4.892 ( -4.523 5.414 1.605) 7.235 5.002 ( -2.921 3.919 -1.188) 5.030 5.115 ( -4.157 -3.880 0.641) 5.722 5.158 ( -3.485 -3.388 -0.882) 4.940 5.378 ( -0.342 0.329 -1.622) 1.690 5.423 ( -1.323 1.034 -0.237) 1.696 5.492 ( -0.892 -2.878 1.301) 3.282 5.549 ( -2.471 -2.834 -0.180) 3.764 5.780 ( 3.406 1.540 1.560) 4.050 5.899 ( 0.921 -1.797 -1.134) 2.316 5.948 ( -0.788 -3.648 0.401) 3.754 5.974 ( -0.500 -5.308 -3.647) 6.460 6.310 ( 0.700 2.799 6.859) 7.441 6.357 ( -1.103 1.783 6.702) 7.022 6.462 ( -0.488 -1.570 3.546) 3.909 6.493 ( -2.855 -2.574 3.353) 5.101 6.750 ( 4.253 6.168 -0.677) 7.523 6.774 ( 5.013 4.815 -1.027) 7.027 6.779 ( 2.358 5.385 0.903) 5.947 6.879 ( 3.053 0.613 -1.793) 3.593 7.099 ( 8.334 5.471 4.177) 10.809 7.151 ( 5.666 2.767 2.648) 6.839 7.414 ( 1.888 4.950 -0.248) 5.304 7.486 ( 0.537 6.246 -2.220) 6.651 7.681 ( -6.965 -2.807 -0.120) 7.510 7.704 ( -9.109 -1.117 0.387) 9.185 7.783 ( -4.695 -3.166 -0.110) 5.664 7.810 ( -4.777 -2.305 -3.740) 6.491 8.064 ( -1.725 -2.134 2.936) 4.019 8.084 ( -1.790 -0.259 1.687) 2.473 8.219 ( -1.575 -5.803 4.323) 7.406 8.276 ( -4.276 -6.964 0.107) 8.173 8.599 ( 3.309 8.565 1.751) 9.347 8.738 ( -0.563 6.260 -2.616) 6.808 8.790 ( -1.938 5.233 2.198) 5.998 8.849 ( -1.615 2.557 0.615) 3.086 8.904 ( 5.209 1.540 1.594) 5.661 8.984 ( 6.450 1.348 -1.099) 6.681 9.001 ( 4.075 -3.889 1.100) 5.739 9.115 ( 3.981 -2.363 -6.030) 7.602 9.148 ( 3.148 -4.446 -3.015) 6.226 9.211 ( 0.238 -2.423 -5.861) 6.347 9.292 ( -4.275 -3.130 -3.551) 6.379 9.392 ( -3.514 -4.660 -6.193) 8.510 11.124 ( -0.934 0.196 2.063) 2.273 11.156 ( -0.398 0.671 1.698) 1.869 11.190 ( -2.373 -2.550 -1.497) 3.792 11.230 ( -2.763 1.523 -0.998) 3.309 11.251 ( 1.714 -0.749 3.720) 4.164 11.323 ( -0.941 -0.873 2.109) 2.469 11.372 ( 1.657 -3.377 -1.104) 3.920 11.401 ( 0.404 -3.679 -2.116) 4.263 11.869 ( 1.904 0.165 -0.079) 1.913 11.885 ( 2.242 -0.676 -1.561) 2.815 11.957 ( -1.959 -0.764 -1.187) 2.414 11.981 ( -0.917 -1.254 -2.014) 2.543 12.366 ( 4.244 9.363 3.723) 10.933 12.504 ( 2.508 2.255 -2.112) 3.979 12.522 ( -2.804 9.293 3.539) 10.331 12.641 ( -2.891 4.091 -1.945) 5.374 13.005 ( 0.204 1.176 2.570) 2.834 13.017 ( -0.083 0.817 2.523) 2.653 13.114 ( 0.893 0.865 5.337) 5.480 13.180 ( -1.665 0.305 2.824) 3.292 14.233 ( 4.641 -1.045 1.566) 5.008 14.352 ( 2.340 -5.910 -2.004) 6.665 14.496 ( -3.998 -2.180 -0.938) 4.649 14.548 ( -3.223 -4.367 -2.932) 6.169 14.839 ( 0.329 4.005 -7.343) 8.371 14.905 ( -1.462 4.189 -8.365) 9.469 14.984 ( 4.506 -2.238 -5.106) 7.168 15.121 ( -2.133 -4.606 -9.251) 10.552 20.348 ( 2.770 -0.428 -0.401) 2.832 20.367 ( 2.080 -1.321 -1.210) 2.745 20.462 ( -2.062 -0.485 -0.824) 2.273 20.486 ( -3.018 -1.701 -2.329) 4.175 21.484 ( 2.277 3.164 3.890) 5.507 21.544 ( 1.658 1.128 1.119) 2.296 21.651 ( -3.683 0.753 3.145) 4.901 21.685 ( -2.677 -0.355 1.728) 3.205 21.892 ( 0.617 3.577 0.798) 3.716 21.918 ( -0.219 2.526 1.157) 2.787 21.940 ( 1.077 1.572 -1.287) 2.299 21.989 ( -1.351 -0.309 -1.769) 2.247 22.297 ( 3.968 0.957 -1.321) 4.290 22.379 ( 1.828 -2.058 -5.324) 5.993 22.438 ( -1.794 0.475 -2.240) 2.909 22.470 ( -1.478 0.188 -3.746) 4.031 23.208 ( 0.277 5.562 2.209) 5.991 23.230 ( -0.728 4.426 1.040) 4.605 23.333 ( 1.104 1.638 0.426) 2.020 23.395 ( -1.577 -0.238 -2.142) 2.671 23.715 ( 1.652 -4.068 5.094) 6.725 23.768 ( 1.957 -3.766 2.958) 5.173 23.851 ( 0.661 -5.721 3.469) 6.723 24.012 ( -4.193 -9.632 -3.615) 11.109 25.343 ( 1.186 0.454 0.360) 1.320 25.373 ( 1.641 -0.778 -0.162) 1.823 25.394 ( -0.920 0.637 -0.463) 1.211 25.443 ( -1.332 -1.487 -1.996) 2.823 ======================= Grid point 152 (57/72) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -6.504 2.156 5.983) 9.097 1.765 ( 6.504 2.156 5.983) 9.097 2.066 ( -4.014 -2.868 -2.441) 5.504 2.066 ( 4.014 -2.868 -2.441) 5.504 2.225 ( -6.294 -2.476 6.371) 9.292 2.225 ( 6.294 -2.476 6.371) 9.292 2.353 ( -2.946 -2.698 3.529) 5.330 2.353 ( 2.946 -2.698 3.529) 5.330 2.609 ( -4.366 0.812 4.653) 6.432 2.609 ( 4.366 0.812 4.653) 6.432 2.793 ( -4.474 -3.767 -4.291) 7.254 2.793 ( 4.474 -3.767 -4.291) 7.254 3.130 ( -2.783 7.139 -5.321) 9.329 3.130 ( 2.783 7.139 -5.321) 9.329 3.407 ( -5.664 -2.569 -4.541) 7.701 3.407 ( 5.664 -2.569 -4.541) 7.701 3.484 ( -0.360 3.592 0.215) 3.617 3.484 ( 0.360 3.592 0.214) 3.617 3.581 ( -1.300 1.523 -0.550) 2.077 3.581 ( 1.300 1.523 -0.550) 2.077 3.818 ( -4.443 2.816 0.688) 5.305 3.818 ( 4.443 2.816 0.688) 5.305 3.983 ( -3.304 4.024 -0.431) 5.224 3.983 ( 3.304 4.024 -0.431) 5.224 4.110 ( -1.500 0.978 -1.234) 2.175 4.110 ( 1.500 0.978 -1.235) 2.175 4.179 ( -0.511 -6.828 -3.316) 7.608 4.179 ( 0.511 -6.828 -3.316) 7.608 4.592 ( -3.230 6.167 -3.899) 7.979 4.592 ( 3.230 6.167 -3.899) 7.979 4.762 ( -6.306 -0.476 3.538) 7.246 4.762 ( 6.306 -0.476 3.538) 7.246 4.926 ( -5.638 0.931 -0.601) 5.746 4.926 ( 5.639 0.931 -0.601) 5.746 5.086 ( -2.371 -4.826 -1.805) 5.672 5.086 ( 2.371 -4.826 -1.805) 5.672 5.394 ( -1.723 1.739 0.833) 2.586 5.394 ( 1.723 1.739 0.833) 2.586 5.501 ( -1.950 -2.503 -0.295) 3.186 5.501 ( 1.950 -2.503 -0.295) 3.186 5.856 ( -4.290 -0.340 -0.452) 4.327 5.856 ( 4.290 -0.340 -0.452) 4.327 5.961 ( -1.177 -5.654 -0.652) 5.812 5.961 ( 1.177 -5.654 -0.652) 5.812 6.333 ( -1.569 3.108 8.371) 9.066 6.333 ( 1.569 3.108 8.371) 9.066 6.462 ( -0.677 -2.451 3.451) 4.287 6.462 ( 0.677 -2.451 3.451) 4.287 6.798 ( -1.349 6.676 0.221) 6.814 6.798 ( 1.349 6.676 0.221) 6.814 6.854 ( -4.275 4.089 -2.244) 6.327 6.854 ( 4.275 4.089 -2.244) 6.327 7.274 ( -1.090 4.999 1.891) 5.455 7.274 ( 1.090 4.999 1.891) 5.455 7.464 ( -6.281 2.641 -0.619) 6.842 7.464 ( 6.281 2.641 -0.619) 6.842 7.532 ( -3.335 -0.480 0.592) 3.421 7.532 ( 3.335 -0.480 0.592) 3.421 7.759 ( -1.515 -4.270 -1.627) 4.814 7.759 ( 1.515 -4.270 -1.627) 4.814 8.057 ( -0.837 -0.679 2.169) 2.422 8.057 ( 0.837 -0.679 2.169) 2.422 8.213 ( -1.701 -6.624 2.379) 7.241 8.213 ( 1.701 -6.624 2.379) 7.241 8.675 ( -4.570 8.136 0.913) 9.377 8.675 ( 4.570 8.136 0.913) 9.377 8.810 ( -2.280 4.339 -0.508) 4.928 8.810 ( 2.280 4.339 -0.508) 4.928 8.989 ( -2.976 0.826 0.064) 3.089 8.989 ( 2.976 0.826 0.064) 3.089 9.140 ( -4.571 -5.231 -0.684) 6.981 9.140 ( 4.571 -5.231 -0.684) 6.981 9.177 ( -2.517 -1.143 -5.466) 6.125 9.177 ( 2.517 -1.143 -5.466) 6.125 9.301 ( -5.937 -4.537 -5.888) 9.513 9.301 ( 5.937 -4.537 -5.888) 9.513 11.130 ( -1.734 -0.049 0.583) 1.830 11.130 ( 1.734 -0.049 0.583) 1.830 11.182 ( -1.725 -1.852 -0.326) 2.551 11.182 ( 1.725 -1.852 -0.326) 2.551 11.295 ( -2.298 0.520 3.696) 4.383 11.295 ( 2.298 0.520 3.696) 4.383 11.396 ( -0.857 -3.461 -1.086) 3.727 11.396 ( 0.857 -3.461 -1.086) 3.727 11.907 ( -1.767 -0.193 -1.347) 2.230 11.907 ( 1.767 -0.193 -1.347) 2.230 11.946 ( -2.320 -0.673 -2.262) 3.309 11.946 ( 2.320 -0.673 -2.262) 3.309 12.452 ( -4.622 8.685 3.656) 10.496 12.452 ( 4.622 8.685 3.656) 10.496 12.571 ( -4.333 3.741 -1.765) 5.990 12.571 ( 4.333 3.741 -1.765) 5.990 13.011 ( -0.438 1.480 2.917) 3.300 13.011 ( 0.438 1.480 2.917) 3.300 13.143 ( -2.125 -0.168 3.679) 4.252 13.143 ( 2.125 -0.168 3.679) 4.252 14.335 ( -5.251 -0.804 -0.813) 5.374 14.335 ( 5.251 -0.804 -0.813) 5.374 14.478 ( -3.296 -6.135 -0.180) 6.967 14.478 ( 3.296 -6.135 -0.180) 6.967 14.868 ( -2.263 4.899 -8.263) 9.869 14.868 ( 2.263 4.899 -8.263) 9.869 15.065 ( -3.942 -3.857 -7.774) 9.531 15.065 ( 3.942 -3.857 -7.774) 9.531 20.408 ( -2.028 -0.662 -0.567) 2.208 20.408 ( 2.028 -0.662 -0.567) 2.208 20.422 ( -2.206 -1.380 -1.967) 3.262 20.422 ( 2.206 -1.380 -1.967) 3.262 21.538 ( -3.063 3.311 3.469) 5.690 21.538 ( 3.063 3.311 3.469) 5.690 21.630 ( -2.363 -0.959 1.334) 2.878 21.630 ( 2.363 -0.959 1.334) 2.878 21.907 ( -0.874 3.159 0.912) 3.403 21.907 ( 0.874 3.159 0.912) 3.403 21.963 ( -1.416 0.840 -1.362) 2.136 21.963 ( 1.416 0.840 -1.362) 2.136 22.372 ( -3.528 1.152 -2.020) 4.225 22.372 ( 3.528 1.152 -2.020) 4.225 22.434 ( -2.142 -1.765 -4.111) 4.961 22.434 ( 2.142 -1.765 -4.111) 4.961 23.216 ( -0.649 5.388 1.782) 5.712 23.216 ( 0.649 5.388 1.782) 5.712 23.361 ( -1.884 0.356 -1.024) 2.174 23.361 ( 1.884 0.356 -1.024) 2.174 23.756 ( -2.359 -2.790 5.028) 6.215 23.756 ( 2.359 -2.790 5.028) 6.215 23.918 ( -5.483 -8.651 -0.910) 10.282 23.918 ( 5.483 -8.651 -0.910) 10.282 25.370 ( -1.515 0.597 -0.304) 1.656 25.370 ( 1.515 0.597 -0.304) 1.656 25.410 ( -2.086 -1.217 -0.974) 2.604 25.410 ( 2.086 -1.217 -0.974) 2.604 ======================= Grid point 155 (58/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.000 -0.478 8.673) 8.686 1.722 ( 0.000 0.478 8.673) 8.686 2.078 ( 0.000 -3.429 1.482) 3.735 2.078 ( 0.000 3.429 1.482) 3.735 2.196 ( 0.000 -1.713 3.354) 3.766 2.196 ( 0.000 1.713 3.354) 3.766 2.471 ( 0.000 -2.288 -1.045) 2.515 2.471 ( 0.000 2.288 -1.045) 2.515 2.479 ( 0.000 -2.192 6.411) 6.776 2.479 ( 0.000 2.192 6.411) 6.776 2.777 ( 0.000 -0.017 0.382) 0.382 2.777 ( 0.000 0.017 0.382) 0.382 3.147 ( 0.000 -6.372 -11.497) 13.144 3.147 ( 0.000 6.372 -11.497) 13.144 3.337 ( 0.000 -5.469 -0.381) 5.483 3.337 ( 0.000 5.469 -0.381) 5.483 3.565 ( 0.000 -5.462 0.426) 5.479 3.565 ( 0.000 5.462 0.426) 5.479 3.613 ( 0.000 -1.459 0.584) 1.571 3.613 ( 0.000 1.459 0.584) 1.571 3.940 ( 0.000 -3.694 -1.164) 3.873 3.940 ( 0.000 3.694 -1.164) 3.873 3.964 ( 0.000 -8.023 1.990) 8.266 3.964 ( 0.000 8.023 1.990) 8.266 4.127 ( 0.000 -5.901 -5.892) 8.339 4.127 ( 0.000 5.901 -5.892) 8.339 4.169 ( 0.000 -2.667 -6.053) 6.615 4.169 ( 0.000 2.667 -6.053) 6.615 4.462 ( 0.000 -2.126 -3.326) 3.947 4.462 ( 0.000 2.126 -3.326) 3.947 4.708 ( 0.000 -1.785 0.850) 1.977 4.708 ( 0.000 1.785 0.850) 1.977 5.075 ( 0.000 -6.374 1.288) 6.503 5.075 ( 0.000 6.374 1.288) 6.503 5.123 ( 0.000 -2.727 0.449) 2.764 5.123 ( 0.000 2.727 0.449) 2.764 5.387 ( 0.000 -1.383 1.238) 1.856 5.387 ( 0.000 1.383 1.238) 1.856 5.525 ( 0.000 -0.916 1.801) 2.021 5.525 ( 0.000 0.916 1.801) 2.021 5.813 ( 0.000 -3.825 1.639) 4.162 5.813 ( 0.000 3.825 1.639) 4.162 5.938 ( 0.000 -0.228 -3.596) 3.603 5.938 ( 0.000 0.228 -3.596) 3.603 6.362 ( 0.000 -2.239 5.444) 5.887 6.362 ( 0.000 2.239 5.444) 5.887 6.489 ( 0.000 -2.655 2.856) 3.900 6.489 ( 0.000 2.655 2.856) 3.900 6.705 ( 0.000 -1.386 1.820) 2.288 6.705 ( 0.000 1.386 1.820) 2.288 6.834 ( 0.000 -1.233 -1.527) 1.963 6.834 ( 0.000 1.233 -1.527) 1.963 7.139 ( 0.000 -1.755 3.045) 3.515 7.139 ( 0.000 1.755 3.045) 3.515 7.498 ( 0.000 -4.355 -2.241) 4.898 7.498 ( 0.000 4.355 -2.241) 4.898 7.724 ( 0.000 -5.235 1.698) 5.504 7.724 ( 0.000 5.235 1.698) 5.504 7.848 ( 0.000 -2.605 -2.323) 3.490 7.848 ( 0.000 2.605 -2.323) 3.490 8.091 ( 0.000 -2.250 3.783) 4.401 8.091 ( 0.000 2.250 3.783) 4.401 8.202 ( 0.000 -3.130 0.759) 3.221 8.202 ( 0.000 3.130 0.759) 3.221 8.744 ( 0.000 -8.057 3.283) 8.700 8.744 ( 0.000 8.057 3.283) 8.700 8.818 ( 0.000 -2.524 3.946) 4.684 8.818 ( 0.000 2.524 3.946) 4.684 8.913 ( 0.000 -2.201 1.862) 2.883 8.913 ( 0.000 2.201 1.862) 2.883 9.015 ( 0.000 -3.899 -5.542) 6.776 9.015 ( 0.000 3.899 -5.542) 6.776 9.115 ( 0.000 -3.614 -5.729) 6.774 9.115 ( 0.000 3.614 -5.729) 6.774 9.343 ( 0.000 -2.970 -6.781) 7.403 9.343 ( 0.000 2.970 -6.781) 7.403 11.155 ( 0.000 -0.525 2.445) 2.501 11.155 ( 0.000 0.525 2.445) 2.501 11.221 ( 0.000 -3.178 1.380) 3.465 11.221 ( 0.000 3.178 1.380) 3.465 11.285 ( 0.000 -3.553 0.124) 3.555 11.285 ( 0.000 3.553 0.124) 3.555 11.342 ( 0.000 -1.054 -3.594) 3.746 11.342 ( 0.000 1.054 -3.594) 3.746 11.853 ( 0.000 -0.028 -0.473) 0.474 11.853 ( 0.000 0.028 -0.473) 0.474 11.961 ( 0.000 -0.003 -1.595) 1.595 11.961 ( 0.000 0.003 -1.595) 1.595 12.480 ( 0.000 -3.537 0.628) 3.592 12.480 ( 0.000 3.537 0.628) 3.592 12.680 ( 0.000 -2.742 1.425) 3.090 12.680 ( 0.000 2.742 1.425) 3.090 13.018 ( 0.000 -0.534 4.422) 4.454 13.018 ( 0.000 0.534 4.422) 4.454 13.157 ( 0.000 -3.163 2.696) 4.156 13.157 ( 0.000 3.163 2.696) 4.156 14.209 ( 0.000 -3.613 0.182) 3.617 14.209 ( 0.000 3.613 0.182) 3.617 14.535 ( 0.000 -1.225 -2.298) 2.604 14.535 ( 0.000 1.225 -2.298) 2.604 14.886 ( 0.000 -1.319 -6.900) 7.025 14.886 ( 0.000 1.319 -6.900) 7.025 15.033 ( 0.000 -5.440 -9.019) 10.533 15.033 ( 0.000 5.440 -9.019) 10.533 20.325 ( 0.000 -0.664 -0.668) 0.941 20.325 ( 0.000 0.664 -0.668) 0.941 20.487 ( 0.000 -0.839 -1.400) 1.632 20.487 ( 0.000 0.839 -1.400) 1.632 21.514 ( 0.000 -1.747 2.867) 3.357 21.514 ( 0.000 1.747 2.867) 3.357 21.709 ( 0.000 -0.136 3.366) 3.369 21.709 ( 0.000 0.136 3.366) 3.369 21.944 ( 0.000 -0.244 -0.098) 0.263 21.944 ( 0.000 0.244 -0.098) 0.263 21.962 ( 0.000 -3.082 -1.028) 3.249 21.962 ( 0.000 3.082 -1.028) 3.249 22.294 ( 0.000 -2.655 -4.012) 4.811 22.294 ( 0.000 2.655 -4.012) 4.811 22.486 ( 0.000 -0.746 -3.242) 3.327 22.486 ( 0.000 0.746 -3.242) 3.327 23.284 ( 0.000 -0.675 1.215) 1.389 23.284 ( 0.000 0.675 1.215) 1.389 23.371 ( 0.000 -2.798 1.532) 3.190 23.371 ( 0.000 2.798 1.532) 3.190 23.657 ( 0.000 -1.263 3.130) 3.375 23.657 ( 0.000 1.263 3.130) 3.375 23.879 ( 0.000 -5.853 -1.131) 5.961 23.879 ( 0.000 5.853 -1.131) 5.961 25.343 ( 0.000 -0.659 0.707) 0.967 25.343 ( 0.000 0.659 0.707) 0.967 25.425 ( 0.000 -1.361 -1.746) 2.213 25.425 ( 0.000 1.361 -1.746) 2.213 ======================= Grid point 157 (59/72) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 4.834 -5.879 7.502) 10.687 1.767 ( 4.834 5.879 7.502) 10.687 2.026 ( -6.182 -6.392 1.812) 9.075 2.026 ( -6.182 6.392 1.812) 9.075 2.202 ( 2.243 -1.011 3.966) 4.667 2.202 ( 2.243 1.011 3.966) 4.667 2.388 ( -5.642 -2.523 2.795) 6.783 2.388 ( -5.642 2.523 2.795) 6.783 2.575 ( 6.534 -4.813 1.263) 8.213 2.575 ( 6.534 4.813 1.263) 8.213 2.761 ( -2.035 -3.207 -0.223) 3.804 2.761 ( -2.035 3.207 -0.223) 3.804 3.201 ( 4.846 -6.219 -7.458) 10.853 3.201 ( 4.846 6.219 -7.458) 10.853 3.329 ( -1.169 -6.893 -0.801) 7.037 3.329 ( -1.169 6.893 -0.801) 7.038 3.536 ( -1.076 -3.354 0.549) 3.565 3.536 ( -1.076 3.354 0.549) 3.565 3.618 ( -0.946 -3.006 -1.959) 3.710 3.618 ( -0.946 3.006 -1.959) 3.710 3.892 ( -1.041 -7.376 0.382) 7.459 3.892 ( -1.041 7.376 0.382) 7.459 4.024 ( -1.812 -7.695 -1.209) 7.998 4.024 ( -1.812 7.695 -1.209) 7.998 4.067 ( 0.106 -4.855 -4.466) 6.597 4.067 ( 0.106 4.855 -4.466) 6.597 4.166 ( -1.227 -2.104 -5.037) 5.595 4.166 ( -1.227 2.104 -5.037) 5.595 4.550 ( 8.356 -2.203 -2.454) 8.983 4.550 ( 8.356 2.203 -2.454) 8.983 4.739 ( 2.475 -3.381 -0.082) 4.191 4.739 ( 2.475 3.381 -0.082) 4.191 5.013 ( -5.414 -6.034 1.364) 8.221 5.013 ( -5.414 6.034 1.364) 8.221 5.079 ( -4.891 -3.900 -1.070) 6.347 5.079 ( -4.891 3.900 -1.070) 6.347 5.401 ( 1.638 -2.084 1.586) 3.089 5.401 ( 1.638 2.084 1.586) 3.089 5.495 ( -2.672 -2.492 2.351) 4.345 5.495 ( -2.672 2.492 2.351) 4.345 5.835 ( 2.072 -3.646 1.081) 4.331 5.835 ( 2.072 3.646 1.081) 4.331 5.919 ( -1.861 -0.446 -2.823) 3.410 5.919 ( -1.861 0.446 -2.823) 3.410 6.367 ( 1.108 -1.869 6.473) 6.828 6.367 ( 1.108 1.869 6.473) 6.828 6.448 ( -2.720 -1.245 4.972) 5.802 6.448 ( -2.720 1.245 4.972) 5.802 6.819 ( 6.406 -0.617 -1.935) 6.720 6.819 ( 6.406 0.617 -1.935) 6.720 6.862 ( 3.390 -2.375 -0.896) 4.235 6.862 ( 3.390 2.375 -0.896) 4.235 7.173 ( 5.839 -1.146 3.424) 6.865 7.173 ( 5.839 1.146 3.424) 6.865 7.522 ( 1.702 -4.578 -0.856) 4.959 7.522 ( 1.702 4.578 -0.856) 4.959 7.673 ( -6.291 -4.517 0.381) 7.754 7.673 ( -6.291 4.517 0.381) 7.754 7.750 ( -7.979 -2.208 -1.946) 8.504 7.750 ( -7.979 2.208 -1.946) 8.504 8.078 ( -0.555 -2.246 3.124) 3.887 8.078 ( -0.555 2.246 3.124) 3.887 8.161 ( -3.798 -2.745 1.405) 4.892 8.161 ( -3.798 2.745 1.405) 4.892 8.773 ( 2.565 -7.691 3.364) 8.778 8.773 ( 2.565 7.691 3.364) 8.778 8.833 ( 0.429 -2.478 3.029) 3.937 8.833 ( 0.429 2.478 3.029) 3.937 8.950 ( 3.983 -2.811 1.607) 5.133 8.950 ( 3.983 2.811 1.607) 5.133 9.042 ( 1.619 -4.476 -4.037) 6.242 9.042 ( 1.619 4.476 -4.037) 6.242 9.129 ( 2.375 -3.507 -6.760) 7.978 9.129 ( 2.375 3.507 -6.760) 7.978 9.309 ( -3.717 -3.181 -6.972) 8.517 9.309 ( -3.717 3.181 -6.972) 8.517 11.134 ( -1.126 -1.089 1.778) 2.369 11.134 ( -1.126 1.089 1.778) 2.369 11.193 ( -3.244 -2.548 -0.322) 4.138 11.193 ( -3.244 2.548 -0.322) 4.138 11.298 ( 2.014 -3.054 1.531) 3.966 11.298 ( 2.014 3.054 1.531) 3.966 11.353 ( 0.195 -1.252 -1.523) 1.981 11.353 ( 0.195 1.252 -1.523) 1.981 11.873 ( 2.052 -0.509 -1.250) 2.456 11.873 ( 2.052 0.509 -1.250) 2.456 11.953 ( -1.099 -0.771 -2.106) 2.497 11.953 ( -1.099 0.771 -2.106) 2.497 12.511 ( 3.238 -3.295 0.977) 4.722 12.511 ( 3.238 3.295 0.977) 4.722 12.654 ( -2.819 -2.975 1.489) 4.360 12.654 ( -2.819 2.975 1.489) 4.360 13.036 ( 1.855 -1.480 4.027) 4.675 13.036 ( 1.855 1.480 4.027) 4.675 13.133 ( -2.427 -3.195 2.788) 4.886 13.133 ( -2.427 3.195 2.788) 4.886 14.256 ( 4.853 -3.199 0.192) 5.815 14.256 ( 4.853 3.199 0.192) 5.815 14.483 ( -5.214 -1.376 -1.444) 5.582 14.483 ( -5.214 1.376 -1.444) 5.582 14.916 ( 2.828 -3.323 -7.588) 8.753 14.916 ( 2.828 3.323 -7.588) 8.753 15.017 ( -1.762 -5.313 -8.928) 10.537 15.017 ( -1.762 5.313 -8.928) 10.537 20.348 ( 2.368 -0.499 -0.849) 2.565 20.348 ( 2.368 0.499 -0.849) 2.565 20.462 ( -2.555 -0.597 -1.370) 2.960 20.462 ( -2.555 0.597 -1.370) 2.960 21.537 ( 2.425 -1.761 2.879) 4.156 21.537 ( 2.425 1.761 2.879) 4.156 21.672 ( -3.626 -0.988 3.130) 4.891 21.672 ( -3.626 0.988 3.130) 4.891 21.948 ( 0.414 -0.489 -0.135) 0.655 21.948 ( 0.414 0.489 -0.135) 0.655 21.963 ( -0.043 -1.880 -0.800) 2.044 21.963 ( -0.043 1.880 -0.800) 2.044 22.328 ( 3.371 -2.207 -3.797) 5.536 22.328 ( 3.371 2.207 -3.797) 5.536 22.463 ( -2.513 -1.073 -3.303) 4.286 22.463 ( -2.513 1.073 -3.303) 4.286 23.294 ( 1.102 -0.153 1.327) 1.732 23.294 ( 1.102 0.153 1.327) 1.732 23.355 ( -1.611 -2.213 1.605) 3.173 23.355 ( -1.611 2.213 1.605) 3.173 23.692 ( 3.551 -2.389 2.451) 4.932 23.692 ( 3.551 2.389 2.451) 4.932 23.847 ( -3.259 -5.322 -0.490) 6.259 23.847 ( -3.259 5.322 -0.490) 6.259 25.356 ( 1.375 -0.783 0.277) 1.607 25.356 ( 1.375 0.783 0.277) 1.607 25.414 ( -1.120 -1.269 -1.444) 2.225 25.414 ( -1.120 1.269 -1.444) 2.225 ======================= Grid point 159 (60/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -7.463 -9.240 4.765) 12.798 1.887 ( 5.828 -8.941 4.765) 11.688 1.887 ( -5.828 8.941 4.765) 11.688 1.887 ( 7.463 9.240 4.765) 12.798 2.280 ( -4.194 -3.577 2.861) 6.210 2.280 ( -2.003 -3.066 2.861) 4.647 2.280 ( 2.003 3.066 2.861) 4.647 2.280 ( 4.194 3.577 2.861) 6.210 2.692 ( -5.358 -5.668 0.105) 7.800 2.692 ( 4.361 -5.450 0.105) 6.981 2.692 ( -4.361 5.450 0.105) 6.981 2.692 ( 5.358 5.668 0.105) 7.800 3.284 ( -3.708 -7.598 -1.684) 8.620 3.284 ( 3.697 -7.596 -1.684) 8.615 3.284 ( -3.697 7.596 -1.684) 8.615 3.284 ( 3.708 7.598 -1.684) 8.620 3.566 ( -3.526 -3.187 -2.814) 5.524 3.566 ( 1.650 -2.781 -2.814) 4.286 3.566 ( -1.650 2.781 -2.814) 4.286 3.566 ( 3.526 3.187 -2.814) 5.524 3.928 ( -4.651 -7.057 -1.216) 8.539 3.928 ( 4.639 -7.055 -1.216) 8.531 3.928 ( -4.639 7.055 -1.216) 8.531 3.928 ( 4.651 7.057 -1.216) 8.539 4.126 ( -2.999 -1.388 -3.563) 4.860 4.126 ( -1.144 -0.064 -3.563) 3.743 4.126 ( 1.144 0.064 -3.563) 3.743 4.126 ( 2.999 1.388 -3.563) 4.860 4.711 ( -5.983 -4.300 -0.995) 7.435 4.711 ( -1.973 -3.243 -0.995) 3.924 4.711 ( 1.973 3.243 -0.995) 3.924 4.711 ( 5.983 4.300 -0.995) 7.435 4.980 ( -3.765 -4.720 -0.715) 6.080 4.980 ( 3.765 -4.720 -0.715) 6.080 4.980 ( -3.765 4.720 -0.715) 6.080 4.980 ( 3.765 4.720 -0.715) 6.080 5.443 ( -2.596 -2.888 2.266) 4.496 5.443 ( 1.612 -2.703 2.266) 3.878 5.443 ( -1.612 2.703 2.266) 3.878 5.443 ( 2.596 2.889 2.266) 4.496 5.878 ( -2.293 -2.479 -0.618) 3.433 5.878 ( 1.431 -2.311 -0.618) 2.787 5.878 ( -1.431 2.311 -0.618) 2.787 5.878 ( 2.293 2.479 -0.618) 3.433 6.402 ( -1.357 -3.184 6.459) 7.327 6.402 ( -0.114 -3.111 6.459) 7.170 6.402 ( 0.114 3.111 6.458) 7.170 6.402 ( 1.357 3.184 6.458) 7.327 6.883 ( -1.826 -1.440 -1.736) 2.902 6.883 ( 0.989 -1.218 -1.736) 2.340 6.883 ( -0.989 1.218 -1.736) 2.340 6.883 ( 1.826 1.440 -1.736) 2.902 7.390 ( -12.476 -4.012 2.312) 13.308 7.390 ( -11.306 -3.023 2.312) 11.930 7.390 ( 11.306 3.023 2.312) 11.930 7.390 ( 12.476 4.012 2.312) 13.308 7.641 ( -2.756 -6.653 -2.005) 7.475 7.641 ( 0.496 -6.513 -2.005) 6.833 7.641 ( -0.496 6.513 -2.005) 6.833 7.641 ( 2.756 6.653 -2.005) 7.475 8.096 ( -1.805 -4.172 2.277) 5.084 8.096 ( 0.599 -4.084 2.277) 4.714 8.096 ( -0.599 4.084 2.277) 4.714 8.096 ( 1.805 4.172 2.277) 5.084 8.817 ( -1.921 -4.495 3.060) 5.767 8.817 ( 1.920 -4.495 3.060) 5.767 8.817 ( -1.920 4.495 3.060) 5.767 8.817 ( 1.921 4.495 3.060) 5.767 9.026 ( -1.808 -3.570 -0.864) 4.094 9.026 ( -0.604 -3.467 -0.864) 3.624 9.026 ( 0.604 3.467 -0.864) 3.624 9.026 ( 1.808 3.570 -0.864) 4.094 9.216 ( -5.899 -3.474 -7.430) 10.103 9.216 ( 3.204 -2.436 -7.430) 8.450 9.216 ( -3.204 2.436 -7.430) 8.450 9.216 ( 5.899 3.474 -7.430) 10.103 11.140 ( -1.889 -1.615 0.435) 2.523 11.140 ( 1.862 -1.607 0.435) 2.497 11.140 ( -1.862 1.607 0.435) 2.497 11.140 ( 1.889 1.615 0.435) 2.523 11.337 ( -1.459 -2.560 0.827) 3.060 11.337 ( 0.785 -2.485 0.827) 2.734 11.337 ( -0.785 2.485 0.827) 2.734 11.337 ( 1.459 2.560 0.827) 3.060 11.918 ( -2.329 -1.204 -2.278) 3.473 11.918 ( -0.908 -0.548 -2.278) 2.512 11.918 ( 0.908 0.548 -2.278) 2.512 11.918 ( 2.329 1.204 -2.278) 3.473 12.585 ( -4.274 -3.292 1.411) 5.577 12.585 ( 3.143 -2.956 1.411) 4.540 12.585 ( -3.143 2.956 1.411) 4.540 12.585 ( 4.274 3.292 1.411) 5.577 13.081 ( -2.124 -4.660 3.269) 6.076 13.081 ( 0.883 -4.559 3.269) 5.679 13.081 ( -0.883 4.559 3.269) 5.679 13.081 ( 2.124 4.660 3.269) 6.076 14.368 ( -5.872 -3.631 -0.248) 6.909 14.368 ( -2.242 -2.412 -0.248) 3.302 14.368 ( 2.242 2.412 -0.248) 3.302 14.368 ( 5.872 3.631 -0.248) 6.909 14.972 ( -2.880 -5.085 -8.507) 10.321 14.972 ( 2.621 -5.050 -8.507) 10.234 14.972 ( -2.621 5.050 -8.507) 10.234 14.972 ( 2.880 5.085 -8.507) 10.321 20.404 ( -3.447 -0.238 -1.186) 3.653 20.404 ( -3.426 0.147 -1.186) 3.629 20.404 ( 3.426 -0.147 -1.186) 3.629 20.404 ( 3.447 0.238 -1.186) 3.653 21.598 ( -3.623 -2.163 2.931) 5.138 21.598 ( -0.959 -1.276 2.931) 3.338 21.598 ( 0.959 1.276 2.931) 3.338 21.598 ( 3.623 2.163 2.931) 5.138 21.957 ( -0.374 -1.488 -0.402) 1.587 21.957 ( 0.263 -1.482 -0.402) 1.558 21.957 ( -0.263 1.482 -0.402) 1.558 21.957 ( 0.374 1.488 -0.402) 1.587 22.400 ( -4.037 -1.605 -3.481) 5.567 22.400 ( -3.135 0.980 -3.481) 4.787 22.400 ( 3.135 -0.980 -3.481) 4.787 22.400 ( 4.037 1.605 -3.481) 5.567 23.322 ( -0.762 -4.177 1.539) 4.517 23.322 ( 0.055 -4.160 1.539) 4.436 23.322 ( -0.055 4.160 1.539) 4.436 23.322 ( 0.762 4.177 1.539) 4.517 23.771 ( -4.374 -4.596 0.980) 6.420 23.771 ( 2.670 -4.257 0.980) 5.120 23.771 ( -2.670 4.257 0.980) 5.120 23.771 ( 4.374 4.596 0.980) 6.420 25.387 ( -1.754 -1.044 -0.646) 2.141 25.387 ( 1.480 -0.932 -0.646) 1.865 25.387 ( -1.480 0.932 -0.646) 1.865 25.387 ( 1.754 1.044 -0.646) 2.141 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.000 0.000 -5.043) 5.043 1.695 ( 0.000 0.000 5.043) 5.043 2.039 ( 0.000 0.000 -10.919) 10.919 2.039 ( 0.000 0.000 10.919) 10.919 2.388 ( 0.000 0.000 -4.902) 4.902 2.388 ( 0.000 0.000 4.902) 4.902 2.630 ( 0.000 0.000 -2.978) 2.978 2.630 ( 0.000 0.000 2.978) 2.978 2.739 ( 0.000 0.000 -11.924) 11.924 2.739 ( 0.000 0.000 11.924) 11.924 2.744 ( 0.000 0.000 -7.028) 7.028 2.744 ( 0.000 0.000 7.028) 7.028 2.989 ( 0.000 0.000 -2.032) 2.032 2.989 ( 0.000 0.000 2.032) 2.032 3.079 ( 0.000 0.000 -0.099) 0.099 3.079 ( 0.000 0.000 0.099) 0.099 3.391 ( 0.000 0.000 -1.732) 1.732 3.391 ( 0.000 0.000 1.732) 1.732 3.522 ( 0.000 0.000 -2.246) 2.246 3.522 ( 0.000 0.000 2.246) 2.246 3.613 ( 0.000 0.000 -4.824) 4.824 3.613 ( 0.000 0.000 4.824) 4.824 4.080 ( 0.000 0.000 -3.673) 3.673 4.080 ( 0.000 0.000 3.673) 3.673 4.081 ( 0.000 0.000 -0.038) 0.038 4.081 ( 0.000 0.000 0.038) 0.038 4.496 ( 0.000 0.000 -1.469) 1.469 4.496 ( 0.000 0.000 1.469) 1.469 4.627 ( 0.000 0.000 -4.499) 4.499 4.627 ( 0.000 0.000 4.499) 4.499 4.653 ( 0.000 0.000 -2.997) 2.997 4.653 ( 0.000 0.000 2.997) 2.997 4.756 ( 0.000 0.000 -2.996) 2.996 4.756 ( 0.000 0.000 2.996) 2.996 5.225 ( 0.000 0.000 -0.321) 0.321 5.225 ( 0.000 0.000 0.321) 0.321 5.354 ( 0.000 0.000 -1.713) 1.713 5.354 ( 0.000 0.000 1.713) 1.713 5.614 ( 0.000 0.000 -8.941) 8.941 5.614 ( 0.000 0.000 8.941) 8.941 5.788 ( 0.000 0.000 -6.154) 6.154 5.788 ( 0.000 0.000 6.154) 6.154 6.077 ( 0.000 0.000 -0.417) 0.417 6.077 ( 0.000 0.000 0.417) 0.417 6.376 ( 0.000 0.000 -1.014) 1.014 6.376 ( 0.000 0.000 1.014) 1.014 6.539 ( 0.000 0.000 -2.394) 2.394 6.539 ( 0.000 0.000 2.394) 2.394 6.575 ( 0.000 0.000 -6.716) 6.716 6.575 ( 0.000 0.000 6.716) 6.716 6.775 ( 0.000 0.000 -1.023) 1.023 6.775 ( 0.000 0.000 1.023) 1.023 6.898 ( 0.000 0.000 -4.174) 4.174 6.898 ( 0.000 0.000 4.174) 4.174 7.306 ( 0.000 0.000 -0.939) 0.939 7.306 ( 0.000 0.000 0.939) 0.939 7.784 ( 0.000 0.000 -0.831) 0.831 7.784 ( 0.000 0.000 0.831) 0.831 7.850 ( 0.000 0.000 -5.199) 5.199 7.850 ( 0.000 0.000 5.199) 5.199 8.260 ( 0.000 0.000 -7.878) 7.878 8.260 ( 0.000 0.000 7.878) 7.878 8.325 ( 0.000 0.000 -0.551) 0.551 8.325 ( 0.000 0.000 0.551) 0.551 8.527 ( 0.000 0.000 -7.153) 7.153 8.527 ( 0.000 0.000 7.153) 7.153 8.653 ( 0.000 0.000 -1.993) 1.993 8.653 ( 0.000 0.000 1.993) 1.993 8.891 ( 0.000 0.000 -2.745) 2.745 8.891 ( 0.000 0.000 2.745) 2.745 9.122 ( 0.000 0.000 -1.097) 1.097 9.122 ( 0.000 0.000 1.097) 1.097 9.146 ( 0.000 0.000 -1.929) 1.929 9.146 ( 0.000 0.000 1.929) 1.929 9.492 ( 0.000 0.000 -1.338) 1.338 9.492 ( 0.000 0.000 1.338) 1.338 11.064 ( 0.000 0.000 -0.526) 0.526 11.064 ( 0.000 0.000 0.526) 0.526 11.223 ( 0.000 0.000 -4.150) 4.150 11.223 ( 0.000 0.000 4.150) 4.150 11.486 ( 0.000 0.000 -0.094) 0.094 11.486 ( 0.000 0.000 0.094) 0.094 11.513 ( 0.000 0.000 -0.210) 0.210 11.513 ( 0.000 0.000 0.210) 0.210 11.772 ( 0.000 0.000 -0.283) 0.283 11.772 ( 0.000 0.000 0.283) 0.283 12.060 ( 0.000 0.000 -0.438) 0.438 12.060 ( 0.000 0.000 0.438) 0.438 12.166 ( 0.000 0.000 -3.050) 3.050 12.166 ( 0.000 0.000 3.050) 3.050 12.520 ( 0.000 0.000 -3.788) 3.788 12.520 ( 0.000 0.000 3.788) 3.788 13.016 ( 0.000 0.000 -2.472) 2.472 13.016 ( 0.000 0.000 2.472) 2.472 13.032 ( 0.000 0.000 -0.453) 0.453 13.032 ( 0.000 0.000 0.453) 0.453 14.415 ( 0.000 0.000 -9.927) 9.927 14.415 ( 0.000 0.000 9.927) 9.927 14.524 ( 0.000 0.000 -1.465) 1.465 14.524 ( 0.000 0.000 1.465) 1.465 14.760 ( 0.000 0.000 -2.443) 2.443 14.760 ( 0.000 0.000 2.443) 2.443 15.088 ( 0.000 0.000 -7.781) 7.781 15.088 ( 0.000 0.000 7.781) 7.781 20.356 ( 0.000 0.000 -1.552) 1.552 20.356 ( 0.000 0.000 1.552) 1.552 20.514 ( 0.000 0.000 -1.868) 1.868 20.514 ( 0.000 0.000 1.868) 1.868 21.439 ( 0.000 0.000 -2.625) 2.625 21.439 ( 0.000 0.000 2.625) 2.625 21.693 ( 0.000 0.000 -0.694) 0.694 21.693 ( 0.000 0.000 0.694) 0.694 21.840 ( 0.000 0.000 -1.915) 1.915 21.840 ( 0.000 0.000 1.915) 1.915 21.935 ( 0.000 0.000 -4.371) 4.371 21.935 ( 0.000 0.000 4.371) 4.371 22.297 ( 0.000 0.000 -5.110) 5.110 22.297 ( 0.000 0.000 5.110) 5.110 22.442 ( 0.000 0.000 -2.486) 2.486 22.442 ( 0.000 0.000 2.486) 2.486 23.109 ( 0.000 0.000 -1.613) 1.613 23.109 ( 0.000 0.000 1.613) 1.613 23.291 ( 0.000 0.000 -3.227) 3.227 23.291 ( 0.000 0.000 3.227) 3.227 23.914 ( 0.000 0.000 -0.751) 0.751 23.914 ( 0.000 0.000 0.751) 0.751 24.167 ( 0.000 0.000 -8.263) 8.263 24.167 ( 0.000 0.000 8.263) 8.263 25.344 ( 0.000 0.000 -1.209) 1.209 25.344 ( 0.000 0.000 1.209) 1.209 25.442 ( 0.000 0.000 -2.783) 2.783 25.442 ( 0.000 0.000 2.783) 2.783 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.232 0.000 -3.563) 3.571 1.698 ( 0.232 0.000 3.563) 3.571 2.047 ( 0.779 0.000 -8.494) 8.530 2.047 ( 0.779 0.000 8.494) 8.530 2.403 ( 1.689 0.000 -5.826) 6.066 2.403 ( 1.689 0.000 5.826) 6.066 2.566 ( -4.890 0.000 -8.637) 9.925 2.566 ( -4.890 0.000 8.637) 9.925 2.720 ( -1.692 0.000 -10.721) 10.854 2.720 ( -1.692 0.000 10.721) 10.854 2.789 ( 2.784 0.000 -8.503) 8.947 2.789 ( 2.784 0.000 8.503) 8.947 2.990 ( 0.172 0.000 -3.757) 3.761 2.990 ( 0.172 0.000 3.757) 3.761 3.093 ( 1.244 0.000 -3.497) 3.712 3.093 ( 1.244 0.000 3.497) 3.712 3.364 ( -1.828 0.000 -3.714) 4.140 3.364 ( -1.828 0.000 3.714) 4.140 3.537 ( 1.317 0.000 -1.673) 2.129 3.537 ( 1.317 0.000 1.673) 2.129 3.708 ( 8.854 0.000 -5.602) 10.477 3.708 ( 8.854 0.000 5.602) 10.477 4.044 ( -4.087 0.000 -3.881) 5.636 4.044 ( -4.087 0.000 3.881) 5.636 4.084 ( 0.306 0.000 -0.097) 0.321 4.084 ( 0.306 0.000 0.097) 0.321 4.456 ( -9.244 0.000 -7.419) 11.853 4.456 ( -9.244 0.000 7.419) 11.853 4.460 ( -2.844 0.000 -0.833) 2.964 4.460 ( -2.844 0.000 0.833) 2.964 4.790 ( 6.245 0.000 -5.221) 8.140 4.790 ( 6.245 0.000 5.221) 8.140 4.808 ( 4.291 0.000 -1.892) 4.689 4.808 ( 4.291 0.000 1.892) 4.689 5.203 ( -2.094 0.000 -0.287) 2.114 5.203 ( -2.094 0.000 0.287) 2.114 5.341 ( -0.062 0.000 -2.149) 2.150 5.341 ( -0.062 0.000 2.149) 2.150 5.549 ( -6.551 0.000 -5.548) 8.585 5.549 ( -6.551 0.000 5.548) 8.585 5.838 ( 4.819 0.000 -3.588) 6.009 5.838 ( 4.819 0.000 3.588) 6.009 6.115 ( 2.680 0.000 -2.223) 3.482 6.115 ( 2.680 0.000 2.223) 3.482 6.404 ( 2.768 0.000 -2.446) 3.694 6.404 ( 2.768 0.000 2.446) 3.694 6.534 ( -0.247 0.000 -2.236) 2.249 6.534 ( -0.247 0.000 2.236) 2.249 6.551 ( -2.451 0.000 -6.032) 6.511 6.551 ( -2.451 0.000 6.032) 6.511 6.691 ( -4.946 0.000 -4.706) 6.827 6.691 ( -4.946 0.000 4.706) 6.827 7.047 ( 11.174 0.000 -2.110) 11.372 7.047 ( 11.174 0.000 2.110) 11.372 7.304 ( -0.208 0.000 -0.641) 0.674 7.304 ( -0.208 0.000 0.641) 0.674 7.766 ( -8.079 0.000 -3.530) 8.816 7.766 ( -8.079 0.000 3.530) 8.816 7.784 ( 0.034 0.000 -0.596) 0.596 7.784 ( 0.034 0.000 0.596) 0.597 8.277 ( 1.677 0.000 -6.719) 6.926 8.277 ( 1.677 0.000 6.720) 6.926 8.294 ( -2.460 0.000 -0.908) 2.622 8.294 ( -2.460 0.000 0.908) 2.622 8.500 ( -2.533 0.000 -6.222) 6.717 8.500 ( -2.533 0.000 6.222) 6.717 8.617 ( -2.877 0.000 -3.054) 4.196 8.617 ( -2.877 0.000 3.054) 4.196 8.932 ( 4.045 0.000 -2.126) 4.569 8.932 ( 4.045 0.000 2.126) 4.569 9.115 ( -1.495 0.000 -4.607) 4.843 9.115 ( -1.495 0.000 4.607) 4.843 9.228 ( 7.807 0.000 -0.616) 7.832 9.228 ( 7.807 0.000 0.616) 7.832 9.461 ( -3.349 0.000 -2.338) 4.084 9.461 ( -3.349 0.000 2.338) 4.084 11.076 ( 1.131 0.000 -1.311) 1.731 11.076 ( 1.131 0.000 1.311) 1.731 11.208 ( -1.476 0.000 -3.495) 3.794 11.208 ( -1.476 0.000 3.495) 3.794 11.486 ( 0.128 0.000 -0.697) 0.708 11.486 ( 0.128 0.000 0.697) 0.708 11.524 ( 0.890 0.000 -1.007) 1.344 11.524 ( 0.890 0.000 1.007) 1.344 11.773 ( 0.085 0.000 -0.208) 0.225 11.773 ( 0.085 0.000 0.208) 0.225 12.027 ( -2.825 0.000 -1.855) 3.380 12.027 ( -2.825 0.000 1.855) 3.380 12.176 ( 0.894 0.000 -2.104) 2.286 12.176 ( 0.894 0.000 2.104) 2.286 12.536 ( 1.285 0.000 -2.792) 3.074 12.536 ( 1.285 0.000 2.792) 3.074 13.017 ( 0.133 0.000 -2.079) 2.083 13.017 ( 0.133 0.000 2.079) 2.083 13.030 ( -0.240 0.000 -0.706) 0.746 13.030 ( -0.240 0.000 0.706) 0.746 14.412 ( -0.277 0.000 -6.993) 6.998 14.412 ( -0.277 0.000 6.993) 6.998 14.557 ( 3.354 0.000 -1.746) 3.781 14.557 ( 3.354 0.000 1.746) 3.781 14.731 ( -3.048 0.000 -2.438) 3.903 14.731 ( -3.048 0.000 2.438) 3.903 15.090 ( 0.103 0.000 -5.470) 5.471 15.090 ( 0.103 0.000 5.470) 5.471 20.379 ( 2.395 0.000 -1.172) 2.666 20.379 ( 2.395 0.000 1.172) 2.666 20.492 ( -2.394 0.000 -1.322) 2.735 20.492 ( -2.394 0.000 1.322) 2.735 21.455 ( 1.557 0.000 -2.332) 2.804 21.455 ( 1.557 0.000 2.332) 2.804 21.663 ( -2.765 0.000 -1.416) 3.107 21.663 ( -2.765 0.000 1.416) 3.107 21.848 ( 0.898 0.000 -1.984) 2.177 21.848 ( 0.898 0.000 1.984) 2.177 21.916 ( -1.738 0.000 -3.565) 3.966 21.916 ( -1.738 0.000 3.565) 3.966 22.310 ( 1.083 0.000 -3.477) 3.641 22.310 ( 1.083 0.000 3.477) 3.641 22.459 ( 1.406 0.000 -1.755) 2.249 22.459 ( 1.406 0.000 1.755) 2.249 23.102 ( -0.607 0.000 -1.150) 1.301 23.102 ( -0.607 0.000 1.150) 1.301 23.288 ( -0.243 0.000 -2.301) 2.313 23.288 ( -0.243 0.000 2.301) 2.313 23.936 ( 2.065 0.000 -1.662) 2.650 23.936 ( 2.065 0.000 1.662) 2.650 24.145 ( -2.058 0.000 -6.546) 6.862 24.145 ( -2.058 0.000 6.546) 6.862 25.354 ( 0.852 0.000 -1.171) 1.448 25.354 ( 0.852 0.000 1.171) 1.448 25.435 ( -0.625 0.000 -2.248) 2.334 25.435 ( -0.625 0.000 2.248) 2.334 ======================= Grid point 179 (63/72) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 -0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 -0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 -0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 -0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.851 ( -0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 3.955 ( -0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 -0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.858 ( -0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.363 ( -0.000 0.000 -0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 -0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.896 ( -0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 6.448 ( -0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.510 ( -0.000 0.000 -0.000) 0.000 6.510 ( 0.000 0.000 -0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 7.654 ( -0.000 0.000 0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 7.784 ( 0.000 0.000 -0.000) 0.000 7.784 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 -0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 -0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.467 ( -0.000 0.000 -0.000) 0.000 8.467 ( -0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.987 ( 0.000 0.000 -0.000) 0.000 8.987 ( 0.000 0.000 0.000) 0.000 9.089 ( -0.000 0.000 -0.000) 0.000 9.089 ( -0.000 0.000 0.000) 0.000 9.362 ( -0.000 0.000 -0.000) 0.000 9.362 ( 0.000 0.000 -0.000) 0.000 9.375 ( -0.000 0.000 0.000) 0.000 9.375 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 -0.000) 0.000 11.091 ( 0.000 0.000 0.000) 0.000 11.188 ( -0.000 0.000 0.000) 0.000 11.188 ( 0.000 0.000 0.000) 0.000 11.488 ( 0.000 0.000 -0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 11.534 ( 0.000 0.000 -0.000) 0.000 11.534 ( 0.000 0.000 0.000) 0.000 11.774 ( 0.000 0.000 0.000) 0.000 11.774 ( 0.000 0.000 0.000) 0.000 11.994 ( 0.000 0.000 0.000) 0.000 11.994 ( 0.000 0.000 0.000) 0.000 12.187 ( -0.000 0.000 0.000) 0.000 12.187 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 13.019 ( -0.000 0.000 -0.000) 0.000 13.019 ( -0.000 0.000 0.000) 0.000 13.026 ( 0.000 0.000 -0.000) 0.000 13.026 ( 0.000 0.000 0.000) 0.000 14.409 ( -0.000 0.000 0.000) 0.000 14.409 ( 0.000 0.000 0.000) 0.000 14.613 ( -0.000 0.000 -0.000) 0.000 14.613 ( -0.000 0.000 0.000) 0.000 14.678 ( -0.000 0.000 0.000) 0.000 14.678 ( 0.000 0.000 0.000) 0.000 15.091 ( 0.000 0.000 0.000) 0.000 15.091 ( 0.000 0.000 0.000) 0.000 20.435 ( -0.000 0.000 -0.000) 0.000 20.435 ( 0.001 0.000 0.000) 0.001 20.436 ( -0.001 0.000 0.000) 0.001 20.436 ( 0.000 0.000 -0.000) 0.000 21.477 ( -0.000 0.000 -0.000) 0.000 21.477 ( 0.000 0.000 0.000) 0.000 21.628 ( 0.000 0.000 0.000) 0.000 21.628 ( 0.000 0.000 0.000) 0.000 21.864 ( 0.000 0.000 -0.000) 0.000 21.864 ( -0.000 0.000 0.000) 0.000 21.891 ( -0.000 0.000 -0.000) 0.000 21.891 ( 0.000 0.000 0.000) 0.000 22.323 ( 0.000 0.000 0.000) 0.000 22.323 ( 0.000 0.000 0.000) 0.000 22.475 ( 0.000 0.000 0.000) 0.000 22.475 ( 0.000 0.000 0.000) 0.000 23.095 ( 0.000 0.000 0.000) 0.000 23.095 ( 0.000 0.000 0.000) 0.000 23.285 ( -0.000 0.000 0.000) 0.000 23.285 ( 0.000 0.000 0.000) 0.000 23.963 ( 0.000 0.000 0.000) 0.000 23.963 ( -0.000 0.000 0.000) 0.000 24.118 ( 0.000 0.000 -0.000) 0.000 24.118 ( 0.000 0.000 0.000) 0.000 25.365 ( -0.000 0.000 0.000) 0.000 25.365 ( 0.000 0.000 0.000) 0.000 25.427 ( -0.000 0.000 0.000) 0.000 25.427 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 185 (64/72) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 0.000 8.777 -5.623) 10.424 1.802 ( 0.000 8.777 5.623) 10.424 2.037 ( 0.000 0.437 -11.025) 11.034 2.037 ( 0.000 0.437 11.025) 11.034 2.347 ( 0.000 -7.862 -6.413) 10.146 2.347 ( 0.000 -7.862 6.413) 10.146 2.454 ( 0.000 -8.029 -13.165) 15.420 2.454 ( 0.000 -8.029 13.165) 15.420 2.685 ( 0.000 0.407 -8.529) 8.538 2.685 ( 0.000 0.407 8.529) 8.538 2.801 ( 0.000 0.227 -9.532) 9.535 2.801 ( 0.000 0.227 9.532) 9.535 2.940 ( 0.000 -3.556 -2.695) 4.462 2.940 ( 0.000 -3.556 2.695) 4.462 3.250 ( 0.000 11.122 -5.626) 12.464 3.250 ( 0.000 11.122 5.626) 12.464 3.445 ( 0.000 2.692 -3.730) 4.600 3.445 ( 0.000 2.692 3.730) 4.600 3.558 ( 0.000 4.507 -1.292) 4.689 3.558 ( 0.000 4.507 1.292) 4.689 3.641 ( 0.000 3.359 -3.615) 4.934 3.641 ( 0.000 3.359 3.615) 4.934 4.030 ( 0.000 -4.078 -4.094) 5.779 4.030 ( 0.000 -4.078 4.094) 5.779 4.080 ( 0.000 -0.431 -0.509) 0.667 4.080 ( 0.000 -0.431 0.509) 0.667 4.429 ( 0.000 -5.839 -0.021) 5.839 4.429 ( 0.000 -5.839 0.021) 5.839 4.565 ( 0.000 -4.931 -6.010) 7.774 4.565 ( 0.000 -4.931 6.010) 7.774 4.677 ( 0.000 2.175 -4.895) 5.357 4.677 ( 0.000 2.175 4.895) 5.357 4.844 ( 0.000 6.566 -4.056) 7.718 4.844 ( 0.000 6.566 4.057) 7.718 5.218 ( 0.000 -0.785 -0.994) 1.266 5.218 ( 0.000 -0.785 0.994) 1.266 5.365 ( 0.000 0.998 -2.378) 2.579 5.365 ( 0.000 0.998 2.378) 2.579 5.594 ( 0.000 -1.758 -6.196) 6.440 5.594 ( 0.000 -1.758 6.196) 6.440 5.791 ( 0.000 0.479 -5.591) 5.611 5.791 ( 0.000 0.479 5.591) 5.611 6.034 ( 0.000 -3.792 -0.366) 3.810 6.034 ( 0.000 -3.792 0.366) 3.810 6.366 ( 0.000 0.137 -2.213) 2.217 6.366 ( 0.000 0.137 2.213) 2.217 6.551 ( 0.000 -0.998 -3.965) 4.088 6.551 ( 0.000 -0.998 3.965) 4.088 6.612 ( 0.000 4.664 -0.434) 4.684 6.612 ( 0.000 4.664 0.434) 4.684 6.783 ( 0.000 0.655 -1.803) 1.919 6.783 ( 0.000 0.655 1.803) 1.919 6.979 ( 0.000 6.869 -4.458) 8.189 6.979 ( 0.000 6.869 4.458) 8.189 7.336 ( 0.000 2.828 -1.703) 3.301 7.336 ( 0.000 2.828 1.703) 3.301 7.776 ( 0.000 -0.864 -1.969) 2.151 7.776 ( 0.000 -0.864 1.969) 2.151 7.850 ( 0.000 -0.149 -4.224) 4.226 7.850 ( 0.000 -0.149 4.224) 4.226 8.174 ( 0.000 -4.120 -2.588) 4.865 8.174 ( 0.000 -4.120 2.588) 4.865 8.428 ( 0.000 0.088 -2.147) 2.149 8.428 ( 0.000 0.088 2.147) 2.149 8.471 ( 0.000 2.033 -7.457) 7.729 8.471 ( 0.000 2.033 7.457) 7.729 8.726 ( 0.000 5.717 -0.117) 5.719 8.726 ( 0.000 5.717 0.117) 5.719 8.899 ( 0.000 0.791 -2.342) 2.472 8.899 ( 0.000 0.791 2.342) 2.472 9.084 ( 0.000 -3.633 -0.100) 3.634 9.084 ( 0.000 -3.633 0.100) 3.634 9.135 ( 0.000 -1.024 -2.228) 2.452 9.135 ( 0.000 -1.024 2.228) 2.452 9.443 ( 0.000 -4.521 -1.990) 4.940 9.443 ( 0.000 -4.521 1.990) 4.940 11.115 ( 0.000 4.479 -1.521) 4.730 11.115 ( 0.000 4.479 1.521) 4.730 11.213 ( 0.000 -1.136 -3.799) 3.965 11.213 ( 0.000 -1.136 3.799) 3.965 11.405 ( 0.000 -6.740 -1.977) 7.024 11.405 ( 0.000 -6.740 1.977) 7.024 11.445 ( 0.000 -3.834 -0.932) 3.946 11.445 ( 0.000 -3.834 0.932) 3.946 11.847 ( 0.000 3.090 -1.338) 3.368 11.847 ( 0.000 3.090 1.338) 3.368 11.999 ( 0.000 -1.973 -0.991) 2.208 11.999 ( 0.000 -1.973 0.991) 2.208 12.284 ( 0.000 6.692 -5.218) 8.486 12.284 ( 0.000 6.692 5.218) 8.486 12.502 ( 0.000 1.532 -1.208) 1.951 12.502 ( 0.000 1.532 1.208) 1.951 13.021 ( 0.000 0.260 -1.547) 1.569 13.021 ( 0.000 0.260 1.547) 1.569 13.114 ( 0.000 6.044 -2.419) 6.510 13.114 ( 0.000 6.044 2.419) 6.510 14.362 ( 0.000 -4.611 -7.936) 9.178 14.362 ( 0.000 -4.611 7.936) 9.178 14.522 ( 0.000 -0.408 -0.855) 0.947 14.522 ( 0.000 -0.408 0.855) 0.947 14.773 ( 0.000 1.236 -2.294) 2.606 14.773 ( 0.000 1.236 2.294) 2.606 15.057 ( 0.000 -2.917 -7.551) 8.095 15.057 ( 0.000 -2.917 7.551) 8.095 20.347 ( 0.000 -0.851 -1.319) 1.570 20.347 ( 0.000 -0.851 1.319) 1.570 20.504 ( 0.000 -0.930 -1.560) 1.816 20.504 ( 0.000 -0.930 1.560) 1.816 21.465 ( 0.000 2.310 -2.496) 3.401 21.465 ( 0.000 2.310 2.496) 3.401 21.704 ( 0.000 1.008 -0.599) 1.173 21.704 ( 0.000 1.008 0.599) 1.173 21.860 ( 0.000 1.816 -1.822) 2.572 21.860 ( 0.000 1.816 1.822) 2.572 21.943 ( 0.000 0.756 -3.867) 3.940 21.943 ( 0.000 0.756 3.867) 3.940 22.296 ( 0.000 -0.446 -4.726) 4.747 22.296 ( 0.000 -0.446 4.726) 4.747 22.433 ( 0.000 -0.415 -1.734) 1.783 22.433 ( 0.000 -0.415 1.734) 1.783 23.146 ( 0.000 3.474 -1.439) 3.760 23.146 ( 0.000 3.474 1.439) 3.760 23.312 ( 0.000 1.898 -3.108) 3.642 23.312 ( 0.000 1.898 3.108) 3.642 23.867 ( 0.000 -4.402 -0.829) 4.480 23.867 ( 0.000 -4.402 0.829) 4.480 24.101 ( 0.000 -6.051 -7.622) 9.732 24.101 ( 0.000 -6.051 7.622) 9.732 25.345 ( 0.000 0.072 -1.199) 1.201 25.345 ( 0.000 0.072 1.199) 1.201 25.433 ( 0.000 -0.753 -2.519) 2.629 25.433 ( 0.000 -0.753 2.519) 2.629 ======================= Grid point 187 (65/72) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -0.172 8.537 -3.737) 9.321 1.799 ( -0.172 8.537 3.737) 9.321 1.987 ( -3.912 -4.159 -6.508) 8.658 1.987 ( -3.912 -4.159 6.508) 8.658 2.414 ( 5.142 -1.313 -6.819) 8.641 2.414 ( 5.142 -1.313 6.819) 8.641 2.460 ( 0.821 -8.117 -9.576) 12.580 2.460 ( 0.821 -8.117 9.576) 12.580 2.681 ( 0.409 -1.190 -8.113) 8.209 2.681 ( 0.409 -1.190 8.113) 8.210 2.839 ( 2.077 3.017 -12.031) 12.576 2.839 ( 2.077 3.017 12.031) 12.576 2.894 ( -3.975 -4.906 -7.031) 9.450 2.894 ( -3.975 -4.906 7.031) 9.450 3.221 ( -2.109 8.774 -3.820) 9.799 3.221 ( -2.109 8.774 3.820) 9.799 3.457 ( 0.960 4.812 -4.930) 6.955 3.457 ( 0.960 4.812 4.930) 6.955 3.545 ( -0.209 1.910 -3.207) 3.739 3.545 ( -0.209 1.910 3.207) 3.739 3.741 ( 8.433 3.549 -3.016) 9.633 3.741 ( 8.433 3.549 3.016) 9.633 3.998 ( -3.433 -3.446 -4.023) 6.312 3.998 ( -3.433 -3.446 4.023) 6.312 4.083 ( 0.248 -0.416 -0.469) 0.674 4.083 ( 0.248 -0.416 0.469) 0.674 4.375 ( -3.788 -7.281 -0.977) 8.265 4.375 ( -3.788 -7.281 0.977) 8.265 4.492 ( -6.119 2.668 -5.930) 8.929 4.492 ( -6.119 2.668 5.930) 8.929 4.761 ( 6.715 -1.366 -4.152) 8.012 4.761 ( 6.715 -1.366 4.152) 8.012 4.869 ( 1.669 3.951 -3.871) 5.778 4.869 ( 1.669 3.951 3.871) 5.778 5.183 ( -3.193 -1.764 -0.947) 3.769 5.183 ( -3.193 -1.764 0.947) 3.769 5.358 ( 0.156 1.450 -2.266) 2.694 5.358 ( 0.156 1.450 2.266) 2.694 5.543 ( -4.919 -0.561 -4.278) 6.543 5.543 ( -4.919 -0.561 4.278) 6.543 5.834 ( 3.620 -0.273 -4.077) 5.459 5.834 ( 3.620 -0.273 4.077) 5.459 6.053 ( 1.533 -5.058 -1.371) 5.461 6.053 ( 1.533 -5.058 1.371) 5.461 6.391 ( 2.326 0.142 -2.492) 3.412 6.391 ( 2.326 0.142 2.492) 3.412 6.514 ( -2.201 -1.019 -2.167) 3.252 6.514 ( -2.201 -1.019 2.167) 3.252 6.643 ( 1.755 6.381 -1.931) 6.894 6.643 ( 1.755 6.381 1.931) 6.894 6.749 ( -2.978 4.354 -4.966) 7.245 6.749 ( -2.978 4.354 4.966) 7.245 7.082 ( 9.685 3.394 -2.483) 10.559 7.082 ( 9.685 3.394 2.483) 10.559 7.337 ( 0.116 3.250 -1.324) 3.511 7.337 ( 0.116 3.250 1.324) 3.511 7.742 ( -7.075 -1.888 -2.273) 7.667 7.742 ( -7.075 -1.888 2.273) 7.667 7.790 ( -1.951 -0.094 -0.699) 2.075 7.790 ( -1.951 -0.094 0.699) 2.075 8.157 ( -1.521 -4.792 -1.785) 5.335 8.157 ( -1.521 -4.792 1.785) 5.335 8.398 ( -1.896 -3.354 -0.916) 3.960 8.398 ( -1.896 -3.354 0.916) 3.960 8.478 ( 0.164 6.399 -4.129) 7.617 8.478 ( 0.164 6.399 4.129) 7.617 8.694 ( -2.462 5.949 -1.931) 6.721 8.694 ( -2.462 5.949 1.931) 6.721 8.942 ( 3.985 0.919 -2.014) 4.559 8.942 ( 3.985 0.919 2.014) 4.559 9.100 ( -0.508 -1.666 -4.799) 5.105 9.100 ( -0.508 -1.666 4.799) 5.105 9.192 ( 6.624 -3.286 -1.288) 7.506 9.192 ( 6.624 -3.286 1.288) 7.506 9.412 ( -3.340 -4.561 -2.422) 6.150 9.412 ( -3.340 -4.561 2.422) 6.150 11.120 ( 0.503 3.790 -1.617) 4.151 11.120 ( 0.503 3.790 1.617) 4.151 11.195 ( -1.555 -1.371 -3.179) 3.795 11.195 ( -1.555 -1.371 3.179) 3.795 11.414 ( 0.936 -6.219 -2.096) 6.630 11.414 ( 0.936 -6.219 2.096) 6.630 11.445 ( -0.064 -3.975 -1.447) 4.230 11.445 ( -0.064 -3.975 1.447) 4.230 11.859 ( 1.314 3.557 -0.900) 3.897 11.859 ( 1.314 3.557 0.900) 3.897 11.974 ( -2.519 -1.865 -0.283) 3.147 11.974 ( -2.519 -1.865 0.283) 3.147 12.295 ( 1.000 7.983 -3.279) 8.688 12.295 ( 1.000 7.983 3.279) 8.688 12.505 ( 0.177 -0.069 -1.448) 1.460 12.505 ( 0.177 -0.069 1.448) 1.460 13.022 ( 0.085 0.333 -1.148) 1.199 13.022 ( 0.085 0.333 1.148) 1.199 13.112 ( -0.150 5.945 -1.760) 6.202 13.112 ( -0.150 5.945 1.760) 6.202 14.368 ( 0.498 -3.748 -6.062) 7.145 14.368 ( 0.498 -3.748 6.062) 7.145 14.543 ( 2.139 -1.632 -1.964) 3.331 14.543 ( 2.139 -1.632 1.964) 3.331 14.746 ( -2.580 1.661 -2.360) 3.871 14.746 ( -2.580 1.661 2.360) 3.871 15.059 ( 0.191 -2.840 -5.250) 5.972 15.059 ( 0.191 -2.840 5.250) 5.972 20.369 ( 2.342 -0.899 -1.001) 2.701 20.369 ( 2.342 -0.899 1.001) 2.701 20.481 ( -2.421 -0.965 -1.097) 2.828 20.481 ( -2.421 -0.965 1.097) 2.828 21.482 ( 1.732 2.452 -2.278) 3.768 21.482 ( 1.732 2.452 2.278) 3.768 21.671 ( -3.004 0.783 -1.365) 3.391 21.671 ( -3.004 0.783 1.365) 3.391 21.868 ( 0.838 1.779 -1.826) 2.683 21.868 ( 0.838 1.779 1.826) 2.683 21.930 ( -1.323 1.191 -3.099) 3.574 21.930 ( -1.323 1.191 3.099) 3.574 22.315 ( 1.634 0.205 -3.189) 3.589 22.315 ( 1.634 0.205 3.189) 3.589 22.439 ( 0.498 -1.446 -1.054) 1.857 22.439 ( 0.498 -1.446 1.054) 1.857 23.140 ( -0.525 3.585 -1.022) 3.765 23.140 ( -0.525 3.585 1.022) 3.765 23.310 ( -0.187 1.925 -2.208) 2.935 23.310 ( -0.187 1.925 2.208) 2.935 23.889 ( 2.134 -4.344 -1.720) 5.136 23.889 ( 2.134 -4.344 1.720) 5.136 24.080 ( -2.086 -6.065 -6.139) 8.878 24.080 ( -2.086 -6.065 6.139) 8.878 25.354 ( 0.809 0.032 -1.143) 1.401 25.354 ( 0.809 0.032 1.143) 1.401 25.427 ( -0.604 -0.734 -2.053) 2.262 25.427 ( -0.604 -0.734 2.053) 2.262 ======================= Grid point 189 (66/72) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 8.677 0.000) 8.677 1.799 ( 0.000 8.677 0.000) 8.677 1.944 ( 0.000 -7.291 0.000) 7.291 1.944 ( 0.000 -7.291 0.000) 7.291 2.458 ( 0.000 -4.941 -0.000) 4.941 2.458 ( 0.000 -4.941 0.000) 4.941 2.482 ( -0.000 0.653 -0.000) 0.653 2.482 ( -0.000 0.653 0.000) 0.653 2.711 ( 0.000 -1.811 -0.000) 1.811 2.711 ( 0.000 -1.811 0.000) 1.811 2.793 ( -0.000 -0.479 0.000) 0.479 2.793 ( -0.000 -0.479 0.000) 0.479 2.890 ( 0.000 -1.562 -0.000) 1.562 2.890 ( 0.000 -1.562 0.000) 1.562 3.200 ( 0.000 6.962 0.000) 6.962 3.200 ( 0.000 6.962 0.000) 6.962 3.468 ( 0.000 7.042 0.000) 7.042 3.468 ( 0.000 7.042 0.000) 7.042 3.546 ( 0.000 -0.371 -0.000) 0.371 3.546 ( 0.000 -0.371 0.000) 0.371 3.884 ( 0.000 3.451 -0.000) 3.451 3.884 ( 0.000 3.451 0.000) 3.451 3.911 ( -0.000 -3.437 -0.000) 3.437 3.911 ( 0.000 -3.437 0.000) 3.437 4.086 ( 0.000 -0.456 0.000) 0.456 4.086 ( 0.000 -0.456 0.000) 0.456 4.340 ( 0.000 -7.945 0.000) 7.945 4.340 ( 0.000 -7.945 0.000) 7.945 4.418 ( 0.000 5.394 -0.000) 5.394 4.418 ( 0.000 5.395 0.000) 5.395 4.851 ( 0.000 -0.589 -0.000) 0.589 4.851 ( 0.000 -0.589 0.000) 0.589 4.873 ( 0.000 1.381 -0.000) 1.381 4.873 ( -0.000 1.381 0.000) 1.381 5.142 ( 0.000 -2.979 -0.000) 2.979 5.142 ( 0.000 -2.979 0.000) 2.979 5.374 ( -0.000 1.212 0.000) 1.212 5.374 ( 0.000 1.212 0.000) 1.212 5.474 ( 0.000 1.453 -0.000) 1.453 5.474 ( 0.000 1.453 0.000) 1.453 5.875 ( -0.000 -1.639 0.000) 1.639 5.875 ( 0.000 -1.639 0.000) 1.639 6.069 ( 0.000 -5.745 0.000) 5.745 6.069 ( 0.000 -5.745 0.000) 5.745 6.422 ( 0.000 -0.069 0.000) 0.069 6.422 ( 0.000 -0.069 0.000) 0.069 6.492 ( -0.000 -0.893 -0.000) 0.893 6.492 ( 0.000 -0.893 0.000) 0.893 6.663 ( 0.000 8.496 0.000) 8.496 6.663 ( 0.000 8.496 0.000) 8.496 6.709 ( -0.000 5.385 0.000) 5.385 6.709 ( 0.000 5.385 0.000) 5.385 7.218 ( -0.000 3.095 0.000) 3.095 7.218 ( 0.000 3.095 0.000) 3.095 7.338 ( 0.000 3.543 0.000) 3.543 7.338 ( 0.000 3.543 0.000) 3.543 7.623 ( -0.000 -2.945 0.000) 2.945 7.623 ( 0.000 -2.945 0.000) 2.945 7.782 ( 0.000 -0.689 0.000) 0.689 7.782 ( 0.000 -0.689 0.000) 0.689 8.139 ( 0.000 -5.240 0.000) 5.240 8.139 ( 0.000 -5.240 0.000) 5.240 8.380 ( -0.000 -6.316 0.000) 6.316 8.380 ( 0.000 -6.316 0.000) 6.316 8.478 ( -0.000 10.126 -0.000) 10.126 8.478 ( 0.000 10.126 0.000) 10.126 8.668 ( -0.000 6.138 0.000) 6.138 8.668 ( 0.000 6.138 0.000) 6.138 8.995 ( 0.000 0.614 0.000) 0.614 8.995 ( 0.000 0.614 0.000) 0.614 9.084 ( -0.000 -0.520 -0.000) 0.520 9.084 ( 0.000 -0.520 0.000) 0.520 9.306 ( -0.000 -5.162 -0.000) 5.162 9.306 ( 0.000 -5.162 0.000) 5.162 9.335 ( -0.000 -3.812 0.000) 3.812 9.335 ( 0.000 -3.812 0.000) 3.812 11.128 ( 0.000 3.023 -0.000) 3.023 11.128 ( 0.000 3.023 0.000) 3.023 11.176 ( 0.000 -1.463 0.000) 1.463 11.176 ( 0.000 -1.463 0.000) 1.463 11.428 ( 0.000 -5.746 -0.000) 5.746 11.428 ( 0.000 -5.746 0.000) 5.746 11.442 ( 0.000 -4.147 -0.000) 4.147 11.442 ( -0.000 -4.147 0.000) 4.147 11.883 ( 0.000 5.632 -0.000) 5.632 11.883 ( 0.000 5.632 0.000) 5.632 11.936 ( 0.000 -3.314 0.000) 3.314 11.936 ( 0.000 -3.314 0.000) 3.314 12.308 ( 0.000 9.332 0.000) 9.332 12.308 ( 0.000 9.332 0.000) 9.332 12.506 ( 0.000 -1.771 0.000) 1.771 12.506 ( 0.000 -1.771 0.000) 1.771 13.023 ( 0.000 0.407 0.000) 0.407 13.023 ( 0.000 0.407 0.000) 0.407 13.110 ( 0.000 5.850 0.000) 5.850 13.110 ( 0.000 5.850 0.000) 5.850 14.373 ( -0.000 -2.881 0.000) 2.881 14.373 ( 0.000 -2.881 0.000) 2.881 14.574 ( -0.000 -3.704 -0.000) 3.704 14.574 ( -0.000 -3.704 0.000) 3.704 14.710 ( 0.000 2.941 0.000) 2.941 14.710 ( 0.000 2.941 0.000) 2.941 15.062 ( 0.000 -2.775 0.000) 2.775 15.062 ( 0.000 -2.775 0.000) 2.775 20.424 ( -0.000 -1.016 0.000) 1.016 20.424 ( 0.000 -1.016 -0.000) 1.016 20.425 ( -0.000 -0.930 -0.000) 0.930 20.425 ( 0.000 -0.930 0.000) 0.930 21.507 ( -0.000 2.799 -0.000) 2.799 21.507 ( 0.000 2.799 0.000) 2.799 21.632 ( 0.000 0.395 0.000) 0.395 21.632 ( 0.000 0.395 0.000) 0.395 21.882 ( 0.000 1.576 -0.000) 1.576 21.882 ( -0.000 1.576 0.000) 1.576 21.910 ( -0.000 1.730 -0.000) 1.730 21.910 ( 0.000 1.730 0.000) 1.730 22.334 ( 0.000 1.010 0.000) 1.010 22.334 ( 0.000 1.010 0.000) 1.010 22.445 ( 0.000 -2.616 0.000) 2.616 22.445 ( 0.000 -2.616 0.000) 2.616 23.134 ( 0.000 3.697 0.000) 3.697 23.134 ( 0.000 3.697 0.000) 3.697 23.307 ( -0.000 1.958 0.000) 1.958 23.307 ( 0.000 1.958 0.000) 1.958 23.918 ( -0.000 -4.178 0.000) 4.178 23.918 ( 0.000 -4.178 0.000) 4.178 24.051 ( 0.000 -6.189 -0.000) 6.189 24.051 ( 0.000 -6.189 0.000) 6.189 25.364 ( -0.000 0.001 0.000) 0.001 25.364 ( 0.000 0.001 0.000) 0.001 25.419 ( -0.000 -0.725 0.000) 0.725 25.419 ( 0.000 -0.725 0.000) 0.725 ======================= Grid point 195 (67/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 0.555 -11.224) 11.237 1.909 ( 0.000 0.555 11.224) 11.237 2.083 ( 0.000 -10.122 -8.845) 13.442 2.083 ( 0.000 -10.122 8.845) 13.442 2.145 ( 0.000 7.673 -0.552) 7.693 2.145 ( 0.000 7.673 0.552) 7.693 2.422 ( 0.000 0.427 -6.296) 6.310 2.422 ( 0.000 0.427 6.296) 6.310 2.692 ( 0.000 -0.066 -10.206) 10.206 2.692 ( 0.000 -0.066 10.206) 10.206 2.790 ( 0.000 -3.225 -12.703) 13.106 2.790 ( 0.000 -3.225 12.703) 13.106 2.910 ( 0.000 3.046 -15.207) 15.509 2.910 ( 0.000 3.046 15.207) 15.509 3.330 ( 0.000 -1.220 -4.073) 4.252 3.330 ( 0.000 -1.220 4.073) 4.252 3.570 ( 0.000 5.540 -0.151) 5.542 3.570 ( 0.000 5.540 0.151) 5.542 3.611 ( 0.000 1.179 -1.627) 2.009 3.611 ( 0.000 1.179 1.627) 2.009 3.781 ( 0.000 9.067 -4.233) 10.007 3.781 ( 0.000 9.067 4.233) 10.007 3.952 ( 0.000 -1.336 -6.067) 6.212 3.952 ( 0.000 -1.336 6.067) 6.212 4.070 ( 0.000 -0.936 -1.835) 2.059 4.070 ( 0.000 -0.936 1.835) 2.059 4.274 ( 0.000 -9.121 -0.768) 9.153 4.274 ( 0.000 -9.121 0.768) 9.153 4.469 ( 0.000 -3.873 -2.942) 4.864 4.469 ( 0.000 -3.873 2.942) 4.864 4.709 ( 0.000 0.883 -2.328) 2.490 4.709 ( 0.000 0.883 2.328) 2.490 4.986 ( 0.000 6.893 -3.554) 7.755 4.986 ( 0.000 6.893 3.554) 7.755 5.186 ( 0.000 -2.502 -0.439) 2.540 5.186 ( 0.000 -2.502 0.439) 2.540 5.387 ( 0.000 0.994 -2.432) 2.628 5.387 ( 0.000 0.994 2.432) 2.628 5.558 ( 0.000 -1.451 -1.593) 2.155 5.558 ( 0.000 -1.451 1.593) 2.155 5.813 ( 0.000 1.770 -4.585) 4.915 5.813 ( 0.000 1.770 4.585) 4.915 5.947 ( 0.000 -4.298 -0.887) 4.388 5.947 ( 0.000 -4.298 0.887) 4.388 6.394 ( 0.000 2.213 -2.223) 3.137 6.394 ( 0.000 2.213 2.223) 3.137 6.524 ( 0.000 -1.487 -2.807) 3.176 6.524 ( 0.000 -1.487 2.807) 3.176 6.709 ( 0.000 4.314 -2.617) 5.045 6.709 ( 0.000 4.314 2.617) 5.045 6.794 ( 0.000 0.144 -3.679) 3.682 6.794 ( 0.000 0.144 3.679) 3.682 7.120 ( 0.000 5.708 -2.741) 6.332 7.120 ( 0.000 5.708 2.741) 6.332 7.413 ( 0.000 4.321 -2.653) 5.070 7.413 ( 0.000 4.321 2.653) 5.070 7.746 ( 0.000 -1.969 -3.370) 3.903 7.746 ( 0.000 -1.969 3.370) 3.903 7.840 ( 0.000 -0.721 -2.542) 2.642 7.840 ( 0.000 -0.721 2.542) 2.642 8.123 ( 0.000 -0.795 -0.007) 0.795 8.123 ( 0.000 -0.795 0.007) 0.795 8.311 ( 0.000 -6.539 -1.859) 6.798 8.311 ( 0.000 -6.539 1.859) 6.798 8.632 ( 0.000 9.112 -5.608) 10.700 8.632 ( 0.000 9.112 5.608) 10.700 8.858 ( 0.000 6.562 -0.557) 6.585 8.858 ( 0.000 6.562 0.557) 6.585 8.919 ( 0.000 1.073 -0.780) 1.327 8.919 ( 0.000 1.073 0.780) 1.327 8.983 ( 0.000 -5.927 -2.161) 6.308 8.983 ( 0.000 -5.927 2.161) 6.308 9.101 ( 0.000 -2.571 -3.183) 4.092 9.101 ( 0.000 -2.571 3.183) 4.092 9.332 ( 0.000 -5.443 -2.998) 6.214 9.332 ( 0.000 -5.443 2.998) 6.214 11.183 ( 0.000 -1.114 -1.830) 2.142 11.183 ( 0.000 -1.114 1.830) 2.142 11.214 ( 0.000 4.405 -2.849) 5.246 11.214 ( 0.000 4.405 2.849) 5.246 11.300 ( 0.000 -3.873 -3.522) 5.235 11.300 ( 0.000 -3.873 3.522) 5.235 11.357 ( 0.000 -3.915 -1.106) 4.069 11.357 ( 0.000 -3.915 1.106) 4.069 11.857 ( 0.000 -0.623 -0.039) 0.624 11.857 ( 0.000 -0.623 0.039) 0.624 11.971 ( 0.000 -1.868 -0.067) 1.869 11.971 ( 0.000 -1.868 0.067) 1.869 12.406 ( 0.000 6.156 -4.535) 7.646 12.406 ( 0.000 6.156 4.535) 7.646 12.618 ( 0.000 6.978 -3.201) 7.677 12.618 ( 0.000 6.978 3.201) 7.677 13.033 ( 0.000 1.238 -0.612) 1.381 13.033 ( 0.000 1.238 0.612) 1.381 13.197 ( 0.000 1.187 -2.626) 2.882 13.197 ( 0.000 1.187 2.626) 2.882 14.261 ( 0.000 -4.398 -4.576) 6.347 14.261 ( 0.000 -4.398 4.576) 6.347 14.507 ( 0.000 -0.867 -0.692) 1.109 14.507 ( 0.000 -0.867 0.692) 1.109 14.809 ( 0.000 2.210 -2.570) 3.390 14.809 ( 0.000 2.210 2.570) 3.390 14.983 ( 0.000 -3.947 -6.278) 7.416 14.983 ( 0.000 -3.947 6.278) 7.416 20.328 ( 0.000 -0.850 -0.735) 1.124 20.328 ( 0.000 -0.850 0.735) 1.124 20.484 ( 0.000 -0.901 -0.836) 1.228 20.484 ( 0.000 -0.901 0.836) 1.228 21.516 ( 0.000 2.282 -1.732) 2.865 21.516 ( 0.000 2.282 1.732) 2.865 21.728 ( 0.000 1.113 -0.284) 1.148 21.728 ( 0.000 1.113 0.284) 1.148 21.905 ( 0.000 2.443 -1.114) 2.685 21.905 ( 0.000 2.443 1.114) 2.685 21.959 ( 0.000 0.450 -2.423) 2.464 21.959 ( 0.000 0.450 2.423) 2.464 22.273 ( 0.000 -1.491 -2.805) 3.177 22.273 ( 0.000 -1.491 2.805) 3.177 22.441 ( 0.000 0.982 -0.803) 1.268 22.441 ( 0.000 0.982 0.803) 1.268 23.235 ( 0.000 4.639 -0.827) 4.712 23.235 ( 0.000 4.639 0.827) 4.712 23.357 ( 0.000 2.263 -2.515) 3.383 23.357 ( 0.000 2.263 2.515) 3.383 23.757 ( 0.000 -5.592 -0.803) 5.649 23.757 ( 0.000 -5.592 0.803) 5.649 23.955 ( 0.000 -7.202 -5.370) 8.983 23.955 ( 0.000 -7.202 5.370) 8.983 25.348 ( 0.000 0.254 -0.990) 1.022 25.348 ( 0.000 0.254 0.990) 1.022 25.416 ( 0.000 -0.861 -1.709) 1.914 25.416 ( 0.000 -0.861 1.709) 1.914 ======================= Grid point 197 (68/72) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -2.043 -0.077 -10.013) 10.219 1.885 ( -2.043 -0.077 10.013) 10.219 2.017 ( -3.387 4.104 -6.654) 8.520 2.017 ( -3.387 4.104 6.654) 8.520 2.230 ( 5.198 -6.475 -8.422) 11.827 2.230 ( 5.198 -6.475 8.422) 11.827 2.428 ( -0.001 -1.619 -5.498) 5.732 2.428 ( -0.001 -1.619 5.498) 5.732 2.664 ( -0.872 -0.061 -7.771) 7.820 2.664 ( -0.872 -0.061 7.771) 7.820 2.804 ( -0.167 -3.697 -10.389) 11.028 2.804 ( -0.167 -3.697 10.389) 11.028 2.956 ( 4.376 7.644 -10.585) 13.770 2.956 ( 4.376 7.644 10.585) 13.770 3.321 ( -1.074 0.056 -5.367) 5.473 3.321 ( -1.074 0.056 5.367) 5.473 3.541 ( -1.481 3.972 -3.035) 5.213 3.541 ( -1.481 3.972 3.035) 5.213 3.593 ( -1.718 1.361 -1.943) 2.929 3.593 ( -1.718 1.361 1.943) 2.929 3.828 ( 2.628 3.132 -5.267) 6.667 3.828 ( 2.628 3.132 5.267) 6.667 3.959 ( 1.128 2.013 -7.080) 7.447 3.959 ( 1.128 2.013 7.080) 7.447 4.075 ( 0.515 -1.030 -2.504) 2.756 4.075 ( 0.515 -1.030 2.504) 2.756 4.202 ( -4.923 -8.407 -0.684) 9.766 4.202 ( -4.923 -8.407 0.684) 9.766 4.529 ( 3.316 0.373 -2.931) 4.442 4.529 ( 3.316 0.373 2.931) 4.442 4.740 ( 3.784 -0.431 -3.332) 5.060 4.740 ( 3.784 -0.431 3.332) 5.060 4.954 ( -2.971 4.411 -3.585) 6.414 4.954 ( -2.971 4.411 3.585) 6.414 5.132 ( -5.042 -3.296 -1.286) 6.159 5.132 ( -5.042 -3.296 1.286) 6.159 5.394 ( 1.009 1.898 -2.218) 3.089 5.394 ( 1.009 1.898 2.218) 3.089 5.529 ( -2.664 -0.752 -2.012) 3.422 5.529 ( -2.664 -0.752 2.012) 3.422 5.835 ( 1.579 0.646 -3.905) 4.262 5.835 ( 1.579 0.646 3.905) 4.262 5.947 ( 0.242 -4.817 -0.627) 4.864 5.947 ( 0.242 -4.817 0.627) 4.864 6.417 ( 2.101 1.985 -1.945) 3.484 6.417 ( 2.101 1.985 1.945) 3.484 6.499 ( -1.626 -0.561 -1.211) 2.103 6.499 ( -1.626 -0.561 1.211) 2.103 6.759 ( 3.225 4.466 -0.769) 5.562 6.759 ( 3.225 4.466 0.769) 5.562 6.823 ( 2.003 2.398 -3.585) 4.756 6.823 ( 2.003 2.398 3.585) 4.756 7.168 ( 6.502 4.166 -1.711) 7.909 7.168 ( 6.502 4.166 1.711) 7.909 7.429 ( 1.430 5.429 -2.379) 6.098 7.429 ( 1.430 5.429 2.379) 6.098 7.696 ( -7.822 -2.604 -1.748) 8.427 7.696 ( -7.822 -2.604 1.748) 8.427 7.767 ( -4.225 -2.033 -0.511) 4.716 7.767 ( -4.225 -2.033 0.511) 4.716 8.099 ( -1.862 -0.741 -0.608) 2.094 8.099 ( -1.862 -0.741 0.608) 2.094 8.276 ( -2.917 -6.509 -1.121) 7.221 8.276 ( -2.917 -6.509 1.121) 7.221 8.658 ( 2.228 9.370 -4.405) 10.590 8.658 ( 2.228 9.370 4.405) 10.590 8.832 ( -1.927 6.965 -1.600) 7.401 8.832 ( -1.927 6.965 1.600) 7.401 8.962 ( 3.473 0.780 -2.055) 4.110 8.962 ( 3.473 0.780 2.055) 4.110 9.033 ( 3.773 -4.781 -2.854) 6.725 9.033 ( 3.773 -4.781 2.854) 6.725 9.119 ( 2.390 -3.530 -2.014) 4.715 9.119 ( 2.390 -3.530 2.014) 4.715 9.299 ( -3.506 -5.658 -3.180) 7.377 9.299 ( -3.506 -5.658 3.180) 7.377 11.158 ( -1.909 -1.386 -1.671) 2.891 11.158 ( -1.909 -1.386 1.671) 2.891 11.192 ( -1.691 1.873 -2.093) 3.279 11.192 ( -1.691 1.873 2.093) 3.279 11.328 ( 2.215 -2.375 -3.395) 4.698 11.328 ( 2.215 -2.375 3.395) 4.698 11.365 ( 0.465 -2.871 -1.939) 3.495 11.365 ( 0.465 -2.871 1.939) 3.495 11.869 ( 1.289 -0.709 -0.308) 1.503 11.869 ( 1.289 -0.709 0.308) 1.503 11.954 ( -1.770 -1.483 -0.741) 2.425 11.954 ( -1.770 -1.483 0.741) 2.425 12.441 ( 3.507 6.469 -3.821) 8.291 12.441 ( 3.507 6.469 3.821) 8.291 12.593 ( -2.721 6.523 -3.173) 7.747 12.593 ( -2.721 6.523 3.173) 7.747 13.037 ( 0.371 1.497 -0.526) 1.630 13.037 ( 0.371 1.497 0.526) 1.630 13.189 ( -0.722 0.594 -2.004) 2.211 13.189 ( -0.722 0.594 2.004) 2.211 14.291 ( 2.783 -3.072 -3.887) 5.682 14.291 ( 2.783 -3.072 3.887) 5.682 14.494 ( -1.374 -2.745 -1.551) 3.439 14.494 ( -1.374 -2.745 1.551) 3.439 14.798 ( -0.888 3.329 -2.360) 4.176 14.798 ( -0.888 3.329 2.360) 4.176 14.984 ( 0.116 -4.226 -4.394) 6.098 14.984 ( 0.116 -4.226 4.394) 6.098 20.349 ( 2.247 -0.893 -0.564) 2.483 20.349 ( 2.247 -0.893 0.564) 2.483 20.459 ( -2.482 -0.939 -0.580) 2.716 20.459 ( -2.482 -0.939 0.580) 2.716 21.537 ( 2.161 2.445 -1.679) 3.670 21.537 ( 2.161 2.445 1.679) 3.670 21.690 ( -3.509 0.911 -0.961) 3.751 21.690 ( -3.509 0.911 0.961) 3.751 21.912 ( 0.632 2.332 -1.111) 2.659 21.912 ( 0.632 2.331 1.111) 2.659 21.955 ( -0.452 0.916 -1.811) 2.079 21.955 ( -0.452 0.916 1.811) 2.079 22.305 ( 3.116 -1.083 -2.181) 3.955 22.305 ( 3.116 -1.083 2.181) 3.955 22.425 ( -1.720 0.169 -0.885) 1.942 22.425 ( -1.720 0.169 0.885) 1.942 23.234 ( -0.059 5.140 -0.547) 5.170 23.234 ( -0.059 5.140 0.547) 5.170 23.353 ( -0.391 1.874 -1.794) 2.623 23.353 ( -0.391 1.874 1.794) 2.623 23.781 ( 2.421 -5.399 -1.602) 6.130 23.781 ( 2.421 -5.399 1.602) 6.130 23.932 ( -2.273 -7.310 -4.562) 8.912 23.932 ( -2.273 -7.310 4.562) 8.912 25.356 ( 0.785 0.261 -0.966) 1.272 25.356 ( 0.785 0.261 0.966) 1.272 25.409 ( -0.617 -0.884 -1.466) 1.820 25.409 ( -0.617 -0.884 1.466) 1.820 ======================= Grid point 199 (69/72) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.000 0.229 -0.000) 0.229 1.862 ( 0.000 0.229 0.000) 0.229 1.985 ( 0.000 7.067 0.000) 7.067 1.985 ( 0.000 7.067 0.000) 7.067 2.290 ( 0.000 -9.011 -0.000) 9.011 2.290 ( 0.000 -9.011 0.000) 9.011 2.415 ( 0.000 -5.989 -0.000) 5.989 2.415 ( 0.000 -5.989 0.000) 5.989 2.672 ( -0.000 0.731 -0.000) 0.731 2.672 ( 0.000 0.731 0.000) 0.731 2.790 ( 0.000 -1.280 0.000) 1.280 2.790 ( -0.000 -1.280 0.000) 1.280 3.010 ( 0.000 10.083 -0.000) 10.083 3.010 ( 0.000 10.083 0.000) 10.083 3.304 ( 0.000 1.572 0.000) 1.572 3.304 ( 0.000 1.572 0.000) 1.572 3.551 ( -0.000 0.573 -0.000) 0.573 3.551 ( 0.000 0.573 0.000) 0.573 3.552 ( 0.000 1.468 -0.000) 1.468 3.552 ( -0.000 1.468 0.000) 1.468 3.847 ( 0.000 -1.383 0.000) 1.383 3.847 ( 0.000 -1.383 0.000) 1.383 3.975 ( 0.000 3.920 -0.000) 3.920 3.975 ( 0.000 3.920 0.000) 3.920 4.087 ( -0.000 0.745 -0.000) 0.745 4.087 ( 0.000 0.745 0.000) 0.745 4.150 ( 0.000 -9.199 0.000) 9.199 4.150 ( 0.000 -9.199 0.000) 9.199 4.554 ( 0.000 7.433 0.000) 7.433 4.554 ( 0.000 7.434 0.000) 7.434 4.807 ( -0.000 -3.877 -0.000) 3.877 4.807 ( 0.000 -3.877 0.000) 3.877 4.911 ( 0.000 2.373 0.000) 2.373 4.911 ( -0.000 2.373 0.000) 2.373 5.066 ( 0.000 -4.331 0.000) 4.331 5.066 ( 0.000 -4.331 0.000) 4.331 5.414 ( -0.000 2.601 0.000) 2.601 5.414 ( 0.000 2.601 0.000) 2.601 5.492 ( 0.000 -0.070 -0.000) 0.070 5.492 ( 0.000 -0.070 0.000) 0.070 5.850 ( -0.000 -0.305 0.000) 0.305 5.850 ( 0.000 -0.305 0.000) 0.305 5.952 ( 0.000 -5.183 0.000) 5.183 5.952 ( 0.000 -5.183 0.000) 5.183 6.443 ( -0.000 1.646 0.000) 1.646 6.443 ( 0.000 1.646 0.000) 1.646 6.482 ( -0.000 -0.246 -0.000) 0.246 6.482 ( 0.000 -0.246 0.000) 0.246 6.812 ( -0.000 5.360 -0.000) 5.360 6.812 ( -0.000 5.360 0.000) 5.360 6.814 ( 0.000 4.302 -0.000) 4.302 6.814 ( 0.000 4.302 0.000) 4.302 7.305 ( -0.000 5.225 0.000) 5.225 7.305 ( 0.000 5.225 0.000) 5.225 7.437 ( 0.000 5.365 0.000) 5.365 7.437 ( 0.000 5.365 0.000) 5.365 7.547 ( -0.000 -3.512 0.000) 3.512 7.547 ( 0.000 -3.512 0.000) 3.512 7.734 ( 0.000 -4.339 0.000) 4.339 7.734 ( 0.000 -4.339 0.000) 4.339 8.080 ( 0.000 -0.390 0.000) 0.390 8.080 ( 0.000 -0.390 0.000) 0.390 8.243 ( -0.000 -6.824 0.000) 6.824 8.243 ( 0.000 -6.824 0.000) 6.824 8.685 ( 0.000 9.901 0.000) 9.901 8.685 ( 0.000 9.901 0.000) 9.901 8.809 ( -0.000 7.179 0.000) 7.179 8.809 ( 0.000 7.179 0.000) 7.179 9.001 ( 0.000 -0.386 0.000) 0.386 9.001 ( 0.000 -0.386 0.000) 0.386 9.067 ( 0.000 -1.216 -0.000) 1.216 9.067 ( 0.000 -1.216 0.000) 1.216 9.182 ( -0.000 -5.831 -0.000) 5.831 9.182 ( 0.000 -5.831 0.000) 5.831 9.230 ( 0.000 -6.095 0.000) 6.095 9.230 ( 0.000 -6.095 0.000) 6.095 11.138 ( -0.000 -1.420 0.000) 1.420 11.138 ( 0.000 -1.420 0.000) 1.420 11.174 ( 0.000 0.333 0.000) 0.333 11.174 ( 0.000 0.333 0.000) 0.333 11.358 ( 0.000 -2.716 -0.000) 2.716 11.358 ( 0.000 -2.716 0.000) 2.716 11.363 ( -0.000 -1.231 -0.000) 1.231 11.363 ( -0.000 -1.231 0.000) 1.231 11.893 ( 0.000 -0.942 0.000) 0.942 11.893 ( 0.000 -0.942 0.000) 0.942 11.924 ( -0.000 -0.931 0.000) 0.931 11.924 ( 0.000 -0.931 0.000) 0.931 12.505 ( 0.000 8.727 -0.000) 8.727 12.505 ( 0.000 8.727 0.000) 8.727 12.538 ( -0.000 4.116 -0.000) 4.116 12.538 ( -0.000 4.116 0.000) 4.116 13.041 ( 0.000 1.804 0.000) 1.804 13.041 ( -0.000 1.804 0.000) 1.804 13.180 ( 0.000 -0.035 0.000) 0.035 13.180 ( 0.000 -0.035 0.000) 0.035 14.328 ( 0.000 -0.695 0.000) 0.695 14.328 ( 0.000 -0.695 0.000) 0.695 14.474 ( -0.000 -5.788 0.000) 5.788 14.474 ( 0.000 -5.788 0.000) 5.788 14.788 ( 0.000 4.536 0.000) 4.536 14.788 ( 0.000 4.536 0.000) 4.536 14.986 ( -0.000 -4.488 0.000) 4.488 14.986 ( 0.000 -4.488 0.000) 4.488 20.402 ( -0.000 -0.946 0.000) 0.946 20.402 ( 0.000 -0.946 0.000) 0.946 20.404 ( -0.000 -0.964 0.000) 0.964 20.404 ( 0.000 -0.964 0.000) 0.964 21.574 ( -0.000 3.282 -0.000) 3.282 21.574 ( 0.000 3.282 0.000) 3.282 21.639 ( 0.000 0.075 0.000) 0.075 21.639 ( 0.000 0.075 0.000) 0.075 21.921 ( 0.000 2.046 0.000) 2.046 21.921 ( 0.000 2.046 0.000) 2.046 21.947 ( -0.000 1.499 -0.000) 1.499 21.947 ( 0.000 1.499 0.000) 1.499 22.355 ( -0.000 0.860 -0.000) 0.860 22.355 ( 0.000 0.860 0.000) 0.860 22.391 ( 0.000 -2.167 0.000) 2.167 22.391 ( 0.000 -2.167 0.000) 2.167 23.234 ( 0.000 5.664 -0.000) 5.664 23.234 ( 0.000 5.664 0.000) 5.664 23.348 ( -0.000 1.474 0.000) 1.474 23.348 ( 0.000 1.474 0.000) 1.474 23.818 ( -0.000 -4.746 0.000) 4.746 23.818 ( 0.000 -4.746 0.000) 4.746 23.897 ( 0.000 -7.889 -0.000) 7.889 23.897 ( 0.000 -7.889 0.000) 7.889 25.368 ( -0.000 0.386 0.000) 0.386 25.368 ( 0.000 0.386 0.000) 0.386 25.400 ( -0.000 -1.025 0.000) 1.025 25.400 ( 0.000 -1.025 0.000) 1.025 ======================= Grid point 205 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 0.000 0.000 -0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 -0.000 -0.000) 0.000 1.947 ( 0.000 -0.000 0.000) 0.000 2.268 ( 0.000 0.000 -0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 -0.000 -0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 -0.000 -0.000) 0.000 2.723 ( 0.000 0.000 -0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 -0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 -0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 -0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 -0.000 0.000) 0.000 4.061 ( 0.000 -0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 -0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 -0.000 -0.000) 0.000 5.103 ( 0.000 0.000 -0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.879 ( 0.000 -0.000 0.000) 0.000 5.879 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 -0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 -0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 -0.000) 0.000 6.784 ( 0.000 0.000 -0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 -0.000 0.000) 0.000 7.717 ( 0.000 -0.000 0.000) 0.000 7.831 ( 0.000 0.000 0.000) 0.000 7.831 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 -0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 -0.000) 0.000 8.847 ( 0.000 -0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 0.000) 0.000 8.994 ( 0.000 0.000 -0.000) 0.000 8.994 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 -0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 -0.000 0.000) 0.000 11.181 ( 0.000 0.000 0.000) 0.000 11.181 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 -0.000 0.000) 0.000 11.235 ( 0.000 -0.000 0.000) 0.000 11.292 ( 0.000 0.000 -0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.299 ( 0.000 -0.000 -0.000) 0.000 11.299 ( 0.000 -0.000 0.000) 0.000 11.850 ( 0.000 0.000 0.000) 0.000 11.850 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.184 ( 0.000 0.000 0.000) 0.000 13.184 ( 0.000 0.000 0.000) 0.000 14.213 ( 0.000 0.000 0.000) 0.000 14.213 ( 0.000 0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 14.845 ( 0.000 0.000 0.000) 0.000 14.845 ( 0.000 0.000 0.000) 0.000 14.928 ( 0.000 -0.000 -0.000) 0.000 14.928 ( 0.000 -0.000 0.000) 0.000 20.318 ( 0.000 0.000 0.000) 0.000 20.318 ( 0.000 0.000 0.000) 0.000 20.474 ( 0.000 0.000 0.000) 0.000 20.474 ( 0.000 0.000 0.000) 0.000 21.542 ( 0.000 0.000 0.000) 0.000 21.542 ( 0.000 0.000 0.000) 0.000 21.741 ( 0.000 0.000 0.000) 0.000 21.741 ( 0.000 0.000 0.000) 0.000 21.945 ( 0.000 -0.000 -0.000) 0.000 21.945 ( 0.000 -0.000 0.000) 0.000 21.952 ( 0.000 0.000 -0.000) 0.000 21.952 ( 0.000 0.000 0.000) 0.000 22.255 ( 0.000 0.000 0.000) 0.000 22.255 ( 0.000 0.000 0.000) 0.000 22.454 ( 0.000 0.000 0.000) 0.000 22.454 ( 0.000 0.000 0.000) 0.000 23.294 ( 0.000 0.000 0.000) 0.000 23.294 ( 0.000 0.000 0.000) 0.000 23.385 ( 0.000 0.000 0.000) 0.000 23.385 ( 0.000 0.000 0.000) 0.000 23.688 ( 0.000 0.000 0.000) 0.000 23.688 ( 0.000 0.000 0.000) 0.000 23.868 ( 0.000 0.000 0.000) 0.000 23.868 ( 0.000 0.000 0.000) 0.000 25.352 ( 0.000 0.000 0.000) 0.000 25.352 ( 0.000 0.000 0.000) 0.000 25.405 ( 0.000 0.000 0.000) 0.000 25.405 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 209 (71/72) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 1.558 0.000 -0.000) 1.558 1.933 ( 1.558 0.000 0.000) 1.558 1.947 ( 0.160 -0.000 -0.000) 0.160 1.947 ( 0.160 -0.000 0.000) 0.160 2.253 ( -0.729 0.000 0.000) 0.729 2.253 ( -0.729 0.000 0.000) 0.729 2.380 ( -5.105 -0.000 0.000) 5.105 2.380 ( -5.106 0.000 0.000) 5.106 2.690 ( 1.176 0.000 0.000) 1.176 2.690 ( 1.176 0.000 0.000) 1.176 2.737 ( 0.833 -0.000 -0.000) 0.833 2.737 ( 0.833 0.000 0.000) 0.833 3.077 ( 8.460 0.000 -0.000) 8.460 3.077 ( 8.460 0.000 0.000) 8.460 3.291 ( -1.809 0.000 -0.000) 1.809 3.291 ( -1.809 0.000 0.000) 1.809 3.571 ( -2.036 0.000 -0.000) 2.036 3.571 ( -2.036 0.000 0.000) 2.036 3.597 ( -2.157 0.000 -0.000) 2.157 3.597 ( -2.157 0.000 0.000) 2.157 3.905 ( -1.595 -0.000 0.000) 1.595 3.905 ( -1.595 0.000 0.000) 1.595 3.972 ( -2.542 0.000 0.000) 2.542 3.972 ( -2.542 0.000 0.000) 2.542 4.052 ( 1.165 0.000 0.000) 1.165 4.052 ( 1.165 -0.000 0.000) 1.165 4.111 ( -0.131 0.000 -0.000) 0.131 4.111 ( -0.131 0.000 0.000) 0.131 4.524 ( 9.083 0.000 0.000) 9.083 4.524 ( 9.083 0.000 0.000) 9.083 4.739 ( 1.651 0.000 0.000) 1.651 4.739 ( 1.651 0.000 0.000) 1.651 5.036 ( -6.237 -0.000 -0.000) 6.237 5.036 ( -6.237 -0.000 0.000) 6.237 5.062 ( -5.161 0.000 -0.000) 5.161 5.062 ( -5.161 0.000 0.000) 5.161 5.419 ( 2.086 0.000 0.000) 2.086 5.419 ( 2.086 0.000 0.000) 2.086 5.519 ( -2.365 0.000 0.000) 2.365 5.519 ( -2.365 0.000 0.000) 2.365 5.864 ( 0.756 0.000 -0.000) 0.756 5.864 ( 0.756 0.000 0.000) 0.756 5.874 ( -0.258 -0.000 -0.000) 0.258 5.874 ( -0.258 -0.000 0.000) 0.258 6.445 ( 1.628 0.000 0.000) 1.628 6.445 ( 1.628 0.000 0.000) 1.628 6.490 ( -0.938 -0.000 -0.000) 0.938 6.490 ( -0.938 0.000 0.000) 0.938 6.808 ( 2.605 0.000 0.000) 2.605 6.808 ( 2.605 0.000 0.000) 2.605 6.845 ( 5.202 0.000 -0.000) 5.202 6.845 ( 5.202 0.000 0.000) 5.202 7.215 ( 5.500 0.000 0.000) 5.500 7.215 ( 5.500 0.000 0.000) 5.500 7.511 ( 4.163 0.000 0.000) 4.163 7.511 ( 4.163 0.000 0.000) 4.163 7.652 ( -8.337 -0.000 0.000) 8.337 7.652 ( -8.337 -0.000 0.000) 8.337 7.738 ( -7.796 -0.000 0.000) 7.796 7.738 ( -7.796 -0.000 0.000) 7.796 8.112 ( -0.910 0.000 0.000) 0.910 8.112 ( -0.910 0.000 0.000) 0.910 8.185 ( -3.645 0.000 0.000) 3.645 8.185 ( -3.645 0.000 0.000) 3.645 8.813 ( 2.254 0.000 0.000) 2.254 8.813 ( 2.254 0.000 -0.000) 2.254 8.870 ( 1.041 -0.000 0.000) 1.041 8.870 ( 1.041 0.000 0.000) 1.041 8.966 ( 3.253 0.000 0.000) 3.253 8.966 ( 3.253 0.000 0.000) 3.253 9.022 ( 4.106 0.000 -0.000) 4.106 9.022 ( 4.106 0.000 0.000) 4.106 9.034 ( -0.035 -0.000 -0.000) 0.035 9.034 ( -0.035 -0.000 0.000) 0.035 9.232 ( -3.898 0.000 0.000) 3.898 9.232 ( -3.898 0.000 0.000) 3.898 11.153 ( -1.810 -0.000 0.000) 1.810 11.153 ( -1.810 0.000 0.000) 1.810 11.187 ( -3.377 -0.000 0.000) 3.377 11.187 ( -3.377 0.000 0.000) 3.377 11.325 ( 2.029 0.000 -0.000) 2.029 11.325 ( 2.029 0.000 0.000) 2.029 11.329 ( 2.022 -0.000 -0.000) 2.022 11.329 ( 2.022 -0.000 0.000) 2.022 11.862 ( 1.286 0.000 0.000) 1.286 11.862 ( 1.286 0.000 0.000) 1.286 11.931 ( -1.493 0.000 0.000) 1.493 11.931 ( -1.493 0.000 0.000) 1.493 12.521 ( 3.543 0.000 0.000) 3.543 12.521 ( 3.543 0.000 0.000) 3.543 12.669 ( -2.781 0.000 0.000) 2.781 12.669 ( -2.781 0.000 0.000) 2.781 13.079 ( 1.410 0.000 0.000) 1.410 13.079 ( 1.410 0.000 0.000) 1.410 13.161 ( -2.262 -0.000 0.000) 2.262 13.161 ( -2.262 0.000 0.000) 2.262 14.260 ( 4.773 0.000 0.000) 4.773 14.260 ( 4.773 0.000 0.000) 4.773 14.460 ( -3.900 0.000 0.000) 3.900 14.460 ( -3.900 0.000 0.000) 3.900 14.857 ( 1.305 0.000 -0.000) 1.305 14.857 ( 1.305 0.000 0.000) 1.305 14.916 ( -1.215 -0.000 -0.000) 1.215 14.916 ( -1.215 -0.000 0.000) 1.215 20.339 ( 2.205 0.000 0.000) 2.205 20.339 ( 2.205 0.000 0.000) 2.205 20.449 ( -2.515 0.000 0.000) 2.515 20.449 ( -2.515 0.000 0.000) 2.515 21.564 ( 2.425 0.000 0.000) 2.425 21.564 ( 2.425 0.000 0.000) 2.425 21.701 ( -3.771 0.000 0.000) 3.771 21.701 ( -3.771 0.000 0.000) 3.771 21.948 ( 0.293 -0.000 -0.000) 0.293 21.948 ( 0.293 -0.000 0.000) 0.293 21.955 ( 0.178 0.000 -0.000) 0.178 21.955 ( 0.178 0.000 0.000) 0.178 22.291 ( 3.571 0.000 0.000) 3.571 22.291 ( 3.571 0.000 0.000) 3.571 22.430 ( -2.567 0.000 0.000) 2.567 22.430 ( -2.567 0.000 0.000) 2.567 23.305 ( 1.204 0.000 0.000) 1.204 23.305 ( 1.204 0.000 0.000) 1.204 23.369 ( -1.591 -0.000 0.000) 1.591 23.369 ( -1.591 0.000 0.000) 1.591 23.717 ( 2.892 0.000 0.000) 2.892 23.717 ( 2.892 0.000 0.000) 2.892 23.843 ( -2.607 0.000 0.000) 2.607 23.843 ( -2.607 0.000 0.000) 2.607 25.361 ( 0.884 0.000 0.000) 0.884 25.361 ( 0.884 0.000 0.000) 0.884 25.398 ( -0.731 0.000 0.000) 0.731 25.398 ( -0.731 0.000 0.000) 0.731 ======================= Grid point 213 (72/72) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -0.002 -7.235 0.000) 7.235 1.951 ( -0.002 -7.235 0.000) 7.235 1.951 ( 0.002 7.235 -0.000) 7.235 1.951 ( 0.002 7.235 0.000) 7.235 2.281 ( -1.334 -5.979 0.000) 6.126 2.281 ( -1.334 -5.979 0.000) 6.126 2.281 ( 1.334 5.979 -0.000) 6.126 2.281 ( 1.334 5.979 0.000) 6.126 2.729 ( -0.436 -3.835 -0.000) 3.860 2.729 ( -0.436 -3.835 -0.000) 3.860 2.729 ( 0.436 3.835 0.000) 3.860 2.729 ( 0.436 3.835 0.000) 3.860 3.223 ( -2.010 -8.587 -0.000) 8.819 3.223 ( -2.010 -8.587 0.000) 8.819 3.223 ( 2.010 8.587 0.000) 8.819 3.223 ( 2.010 8.587 0.000) 8.819 3.556 ( -0.922 -0.161 0.000) 0.936 3.556 ( -0.922 -0.161 0.000) 0.936 3.556 ( 0.922 0.161 0.000) 0.936 3.556 ( 0.922 0.161 0.000) 0.936 3.913 ( -0.446 -6.961 0.000) 6.975 3.913 ( -0.446 -6.961 0.000) 6.975 3.913 ( 0.446 6.961 -0.000) 6.975 3.913 ( 0.446 6.961 0.000) 6.975 4.091 ( -1.526 -0.596 0.000) 1.638 4.091 ( -1.526 -0.596 0.000) 1.638 4.091 ( 1.526 0.596 0.000) 1.638 4.091 ( 1.526 0.596 0.000) 1.638 4.699 ( -3.980 -5.582 0.000) 6.855 4.699 ( -3.980 -5.582 0.000) 6.855 4.699 ( 3.980 5.582 0.000) 6.855 4.699 ( 3.980 5.582 0.000) 6.855 4.976 ( -0.555 -3.969 0.000) 4.008 4.976 ( -0.555 -3.969 0.000) 4.008 4.976 ( 0.555 3.969 0.000) 4.008 4.976 ( 0.555 3.969 0.000) 4.008 5.467 ( -1.679 -1.832 0.000) 2.485 5.467 ( -1.679 -1.832 0.000) 2.485 5.467 ( 1.679 1.832 0.000) 2.485 5.467 ( 1.679 1.832 0.000) 2.485 5.872 ( -0.003 -2.544 0.000) 2.544 5.872 ( -0.003 -2.544 0.000) 2.544 5.872 ( 0.003 2.544 0.000) 2.544 5.872 ( 0.003 2.544 0.000) 2.544 6.472 ( -0.603 -0.817 0.000) 1.016 6.472 ( -0.603 -0.817 0.000) 1.016 6.472 ( 0.603 0.817 0.000) 1.016 6.472 ( 0.603 0.817 0.000) 1.016 6.864 ( -2.481 -0.034 0.000) 2.481 6.864 ( -2.481 -0.034 0.000) 2.481 6.864 ( 2.481 0.034 0.000) 2.481 6.864 ( 2.481 0.034 0.000) 2.481 7.416 ( -11.995 -3.052 0.000) 12.377 7.416 ( -11.995 -3.052 0.000) 12.377 7.416 ( 11.995 3.052 -0.000) 12.377 7.416 ( 11.995 3.052 0.000) 12.377 7.611 ( -2.629 -6.483 0.000) 6.996 7.611 ( -2.629 -6.483 0.000) 6.996 7.611 ( 2.629 6.483 0.000) 6.996 7.611 ( 2.629 6.483 0.000) 6.996 8.123 ( -0.614 -4.287 0.000) 4.331 8.123 ( -0.614 -4.287 0.000) 4.331 8.123 ( 0.614 4.287 0.000) 4.331 8.123 ( 0.614 4.287 0.000) 4.331 8.857 ( -0.402 -5.371 0.000) 5.386 8.857 ( -0.402 -5.371 0.000) 5.386 8.857 ( 0.402 5.371 -0.000) 5.386 8.857 ( 0.402 5.371 0.000) 5.386 9.017 ( -0.531 -3.666 0.000) 3.705 9.017 ( -0.531 -3.666 0.000) 3.705 9.017 ( 0.531 3.666 0.000) 3.705 9.017 ( 0.531 3.666 0.000) 3.705 9.133 ( -5.820 -0.809 -0.000) 5.876 9.133 ( -5.820 -0.809 0.000) 5.876 9.133 ( 5.820 0.809 0.000) 5.876 9.133 ( 5.820 0.809 0.000) 5.876 11.143 ( -0.273 -1.786 0.000) 1.807 11.143 ( -0.273 -1.786 0.000) 1.807 11.143 ( 0.273 1.786 0.000) 1.807 11.143 ( 0.273 1.786 0.000) 1.807 11.347 ( -0.026 -0.594 0.000) 0.594 11.347 ( -0.026 -0.594 0.000) 0.594 11.347 ( 0.026 0.594 0.000) 0.594 11.347 ( 0.026 0.594 0.000) 0.594 11.895 ( -1.533 -0.777 0.000) 1.719 11.895 ( -1.533 -0.777 0.000) 1.719 11.895 ( 1.533 0.777 0.000) 1.719 11.895 ( 1.533 0.777 0.000) 1.719 12.599 ( -4.480 -0.005 0.000) 4.480 12.599 ( -4.480 -0.005 0.000) 4.480 12.599 ( 4.480 0.005 0.000) 4.480 12.599 ( 4.480 0.005 0.000) 4.480 13.115 ( -0.586 -4.841 0.000) 4.876 13.115 ( -0.586 -4.841 0.000) 4.876 13.115 ( 0.586 4.841 0.000) 4.876 13.115 ( 0.586 4.841 0.000) 4.876 14.365 ( -3.534 -3.398 0.000) 4.902 14.365 ( -3.534 -3.398 0.000) 4.902 14.365 ( 3.534 3.398 0.000) 4.902 14.365 ( 3.534 3.398 0.000) 4.902 14.887 ( -0.315 -4.957 0.000) 4.967 14.887 ( -0.315 -4.957 0.000) 4.967 14.887 ( 0.315 4.957 0.000) 4.967 14.887 ( 0.315 4.957 0.000) 4.967 20.392 ( -3.333 -0.002 0.000) 3.333 20.392 ( -3.333 -0.002 0.000) 3.333 20.392 ( 3.333 0.002 0.000) 3.333 20.392 ( 3.333 0.002 0.000) 3.333 21.625 ( -3.169 -0.992 0.000) 3.321 21.625 ( -3.169 -0.992 0.000) 3.321 21.625 ( 3.169 0.992 0.000) 3.321 21.625 ( 3.169 0.992 0.000) 3.321 21.954 ( -0.038 -0.899 0.000) 0.900 21.954 ( -0.038 -0.899 0.000) 0.900 21.954 ( 0.038 0.899 0.000) 0.900 21.954 ( 0.038 0.899 0.000) 0.900 22.366 ( -4.087 -0.100 0.000) 4.089 22.366 ( -4.087 -0.100 0.000) 4.089 22.366 ( 4.087 0.100 0.000) 4.089 22.366 ( 4.087 0.100 0.000) 4.089 23.335 ( -0.520 -3.197 -0.000) 3.239 23.335 ( -0.520 -3.197 0.000) 3.239 23.335 ( 0.520 3.197 0.000) 3.239 23.335 ( 0.520 3.197 0.000) 3.239 23.782 ( -2.436 -1.746 0.000) 2.997 23.782 ( -2.436 -1.746 0.000) 2.997 23.782 ( 2.436 1.746 0.000) 2.997 23.782 ( 2.436 1.746 0.000) 2.997 25.380 ( -0.637 -0.712 0.000) 0.955 25.380 ( -0.637 -0.712 0.000) 0.955 25.380 ( 0.637 0.712 0.000) 0.955 25.380 ( 0.637 0.712 0.000) 0.955 =================== 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 3/31680 10.0 1804.312 1086.930 1081.861 0.000 0.000 -0.000 3/31680 20.0 308.949 280.105 302.647 0.000 0.000 -0.000 3/31680 30.0 115.753 118.314 122.817 0.000 0.000 -0.000 3/31680 40.0 61.041 66.371 67.490 0.000 0.000 -0.000 3/31680 50.0 38.614 43.284 43.626 0.000 0.000 -0.000 3/31680 60.0 27.289 31.041 31.156 0.000 0.000 -0.000 3/31680 70.0 20.743 23.749 23.782 0.000 0.000 -0.000 3/31680 80.0 16.582 19.028 19.026 0.000 0.000 -0.000 3/31680 90.0 13.746 15.774 15.755 0.000 0.000 -0.000 3/31680 100.0 11.706 13.419 13.394 0.000 0.000 -0.000 3/31680 110.0 10.178 11.650 11.621 0.000 0.000 -0.000 3/31680 120.0 8.995 10.280 10.250 0.000 0.000 -0.000 3/31680 130.0 8.054 9.191 9.162 0.000 0.000 -0.000 3/31680 140.0 7.290 8.308 8.280 0.000 0.000 -0.000 3/31680 150.0 6.658 7.579 7.553 0.000 0.000 -0.000 3/31680 160.0 6.127 6.967 6.943 0.000 0.000 -0.000 3/31680 170.0 5.676 6.448 6.426 0.000 0.000 -0.000 3/31680 180.0 5.287 6.001 5.982 0.000 0.000 -0.000 3/31680 190.0 4.949 5.613 5.597 0.000 0.000 -0.000 3/31680 200.0 4.653 5.274 5.260 0.000 0.000 -0.000 3/31680 210.0 4.391 4.974 4.963 0.000 0.000 -0.000 3/31680 220.0 4.157 4.707 4.698 0.000 0.000 -0.000 3/31680 230.0 3.948 4.469 4.461 0.000 0.000 -0.000 3/31680 240.0 3.760 4.254 4.248 0.000 0.000 -0.000 3/31680 250.0 3.589 4.059 4.056 0.000 0.000 -0.000 3/31680 260.0 3.434 3.882 3.880 0.000 0.000 -0.000 3/31680 270.0 3.292 3.721 3.720 0.000 0.000 -0.000 3/31680 280.0 3.162 3.573 3.573 0.000 0.000 -0.000 3/31680 290.0 3.042 3.436 3.438 0.000 0.000 -0.000 3/31680 300.0 2.931 3.310 3.313 0.000 0.000 -0.000 3/31680 310.0 2.828 3.193 3.197 0.000 0.000 -0.000 3/31680 320.0 2.732 3.085 3.089 0.000 0.000 -0.000 3/31680 330.0 2.643 2.983 2.989 0.000 0.000 -0.000 3/31680 340.0 2.560 2.889 2.895 0.000 0.000 -0.000 3/31680 350.0 2.481 2.800 2.807 0.000 0.000 -0.000 3/31680 360.0 2.408 2.717 2.725 0.000 0.000 -0.000 3/31680 370.0 2.339 2.639 2.647 0.000 0.000 -0.000 3/31680 380.0 2.274 2.565 2.574 0.000 0.000 -0.000 3/31680 390.0 2.213 2.496 2.505 0.000 0.000 -0.000 3/31680 400.0 2.155 2.430 2.439 0.000 0.000 -0.000 3/31680 410.0 2.100 2.367 2.377 0.000 0.000 -0.000 3/31680 420.0 2.047 2.308 2.318 0.000 0.000 -0.000 3/31680 430.0 1.998 2.252 2.263 0.000 0.000 -0.000 3/31680 440.0 1.950 2.199 2.209 0.000 0.000 -0.000 3/31680 450.0 1.905 2.148 2.159 0.000 0.000 -0.000 3/31680 460.0 1.863 2.099 2.110 0.000 0.000 -0.000 3/31680 470.0 1.822 2.053 2.064 0.000 0.000 -0.000 3/31680 480.0 1.782 2.008 2.020 0.000 0.000 -0.000 3/31680 490.0 1.745 1.966 1.978 0.000 0.000 -0.000 3/31680 500.0 1.709 1.925 1.937 0.000 0.000 -0.000 3/31680 510.0 1.674 1.886 1.898 0.000 0.000 -0.000 3/31680 520.0 1.641 1.849 1.861 0.000 0.000 -0.000 3/31680 530.0 1.610 1.813 1.825 0.000 0.000 -0.000 3/31680 540.0 1.579 1.779 1.791 0.000 0.000 -0.000 3/31680 550.0 1.550 1.746 1.757 0.000 0.000 -0.000 3/31680 560.0 1.521 1.714 1.725 0.000 0.000 -0.000 3/31680 570.0 1.494 1.683 1.695 0.000 0.000 -0.000 3/31680 580.0 1.468 1.653 1.665 0.000 0.000 -0.000 3/31680 590.0 1.443 1.624 1.636 0.000 0.000 -0.000 3/31680 600.0 1.418 1.597 1.609 0.000 0.000 -0.000 3/31680 610.0 1.394 1.570 1.582 0.000 0.000 -0.000 3/31680 620.0 1.371 1.544 1.556 0.000 0.000 -0.000 3/31680 630.0 1.349 1.519 1.531 0.000 0.000 -0.000 3/31680 640.0 1.328 1.495 1.507 0.000 0.000 -0.000 3/31680 650.0 1.307 1.472 1.483 0.000 0.000 -0.000 3/31680 660.0 1.287 1.449 1.461 0.000 0.000 -0.000 3/31680 670.0 1.268 1.427 1.439 0.000 0.000 -0.000 3/31680 680.0 1.249 1.406 1.417 0.000 0.000 -0.000 3/31680 690.0 1.230 1.385 1.397 0.000 0.000 -0.000 3/31680 700.0 1.213 1.365 1.376 0.000 0.000 -0.000 3/31680 710.0 1.195 1.345 1.357 0.000 0.000 -0.000 3/31680 720.0 1.178 1.326 1.338 0.000 0.000 -0.000 3/31680 730.0 1.162 1.308 1.319 0.000 0.000 -0.000 3/31680 740.0 1.146 1.290 1.301 0.000 0.000 -0.000 3/31680 750.0 1.131 1.273 1.284 0.000 0.000 -0.000 3/31680 760.0 1.116 1.256 1.267 0.000 0.000 -0.000 3/31680 770.0 1.101 1.239 1.250 0.000 0.000 -0.000 3/31680 780.0 1.087 1.223 1.234 0.000 0.000 -0.000 3/31680 790.0 1.073 1.208 1.218 0.000 0.000 -0.000 3/31680 800.0 1.059 1.192 1.203 0.000 0.000 -0.000 3/31680 810.0 1.046 1.177 1.188 0.000 0.000 -0.000 3/31680 820.0 1.033 1.163 1.174 0.000 0.000 -0.000 3/31680 830.0 1.021 1.149 1.159 0.000 0.000 -0.000 3/31680 840.0 1.009 1.135 1.146 0.000 0.000 -0.000 3/31680 850.0 0.997 1.122 1.132 0.000 0.000 -0.000 3/31680 860.0 0.985 1.108 1.119 0.000 0.000 -0.000 3/31680 870.0 0.974 1.096 1.106 0.000 0.000 -0.000 3/31680 880.0 0.962 1.083 1.093 0.000 0.000 -0.000 3/31680 890.0 0.952 1.071 1.081 0.000 0.000 -0.000 3/31680 900.0 0.941 1.059 1.069 0.000 0.000 -0.000 3/31680 910.0 0.931 1.047 1.057 0.000 0.000 -0.000 3/31680 920.0 0.920 1.036 1.046 0.000 0.000 -0.000 3/31680 930.0 0.910 1.024 1.034 0.000 0.000 -0.000 3/31680 940.0 0.901 1.013 1.023 0.000 0.000 -0.000 3/31680 950.0 0.891 1.003 1.012 0.000 0.000 -0.000 3/31680 960.0 0.882 0.992 1.002 0.000 0.000 -0.000 3/31680 970.0 0.873 0.982 0.991 0.000 0.000 -0.000 3/31680 980.0 0.864 0.972 0.981 0.000 0.000 -0.000 3/31680 990.0 0.855 0.962 0.971 0.000 0.000 -0.000 3/31680 1000.0 0.846 0.952 0.962 0.000 0.000 -0.000 3/31680 Thermal conductivity related properties were written into "kappa-m4610.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:18:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|