----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:39:34]------------------------- 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.369339239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.100021950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.415704560000000 Atomic positions (fractional): *1 B 0.32592452157489 0.75000000000000 0.62973716281818 10.811 2 B 0.82592452157489 0.75000000000000 0.87026283718182 10.811 3 B 0.17407547842511 0.25000000000000 0.12973716281818 10.811 4 B 0.67407547842511 0.25000000000000 0.37026283718182 10.811 *5 O 0.75847400665772 0.25000000000000 0.24849740457244 15.999 6 O 0.25847400665772 0.25000000000000 0.25150259542756 15.999 7 O 0.24152599334228 0.75000000000000 0.75150259542756 15.999 *8 O 0.97047606465335 0.75000000000000 0.85651762721711 15.999 9 O 0.52952393534665 0.25000000000000 0.35651762721711 15.999 10 O 0.74152599334228 0.75000000000000 0.74849740457244 15.999 11 O 0.47047606465335 0.75000000000000 0.64348237278289 15.999 12 O 0.02952393534665 0.25000000000000 0.14348237278289 15.999 *13 O 0.73885370084975 0.25000000000000 0.50362030011746 15.999 14 O 0.26114629915025 0.75000000000000 0.49637969988254 15.999 15 O 0.23885370084975 0.25000000000000 0.99637969988254 15.999 16 O 0.76114629915025 0.75000000000000 0.00362030011746 15.999 *17 F 0.00823469754522 0.25000000000000 0.60994819599253 18.998 18 F 0.50823469754522 0.25000000000000 0.89005180400747 18.998 19 F 0.49176530245478 0.75000000000000 0.10994819599253 18.998 20 F 0.99176530245478 0.75000000000000 0.39005180400747 18.998 *21 Mg 0.10098187332998 0.25000000000000 0.81885959197559 24.305 22 Mg 0.39901812667002 0.75000000000000 0.31885959197559 24.305 23 Mg 0.60098187332998 0.25000000000000 0.68114040802441 24.305 24 Mg 0.89901812667002 0.75000000000000 0.18114040802441 24.305 *25 Mg 0.86571631838210 0.75000000000000 0.57123180319244 24.305 26 Mg 0.13428368161790 0.25000000000000 0.42876819680756 24.305 27 Mg 0.36571631838210 0.75000000000000 0.92876819680756 24.305 28 Mg 0.63428368161790 0.25000000000000 0.07123180319244 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.369339239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.100021950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.415704560000000 Atomic positions (fractional): *1 B 0.32592452157489 0.75000000000000 0.62973716281818 10.811 > 1 2 B 0.82592452157489 0.75000000000000 0.87026283718182 10.811 > 2 3 B 0.17407547842511 0.25000000000000 0.12973716281818 10.811 > 3 4 B 0.67407547842511 0.25000000000000 0.37026283718182 10.811 > 4 *5 O 0.75847400665772 0.25000000000000 0.24849740457244 15.999 > 5 6 O 0.25847400665772 0.25000000000000 0.25150259542756 15.999 > 6 7 O 0.24152599334228 0.75000000000000 0.75150259542756 15.999 > 7 *8 O 0.97047606465335 0.75000000000000 0.85651762721711 15.999 > 8 9 O 0.52952393534665 0.25000000000000 0.35651762721711 15.999 > 9 10 O 0.74152599334228 0.75000000000000 0.74849740457244 15.999 > 10 11 O 0.47047606465335 0.75000000000000 0.64348237278289 15.999 > 11 12 O 0.02952393534665 0.25000000000000 0.14348237278289 15.999 > 12 *13 O 0.73885370084975 0.25000000000000 0.50362030011746 15.999 > 13 14 O 0.26114629915025 0.75000000000000 0.49637969988254 15.999 > 14 15 O 0.23885370084975 0.25000000000000 0.99637969988254 15.999 > 15 16 O 0.76114629915025 0.75000000000000 0.00362030011746 15.999 > 16 *17 F 0.00823469754522 0.25000000000000 0.60994819599253 18.998 > 17 18 F 0.50823469754522 0.25000000000000 0.89005180400747 18.998 > 18 19 F 0.49176530245478 0.75000000000000 0.10994819599253 18.998 > 19 20 F 0.99176530245478 0.75000000000000 0.39005180400747 18.998 > 20 *21 Mg 0.10098187332998 0.25000000000000 0.81885959197559 24.305 > 21 22 Mg 0.39901812667002 0.75000000000000 0.31885959197559 24.305 > 22 23 Mg 0.60098187332998 0.25000000000000 0.68114040802441 24.305 > 23 24 Mg 0.89901812667002 0.75000000000000 0.18114040802441 24.305 > 24 *25 Mg 0.86571631838210 0.75000000000000 0.57123180319244 24.305 > 25 26 Mg 0.13428368161790 0.25000000000000 0.42876819680756 24.305 > 26 27 Mg 0.36571631838210 0.75000000000000 0.92876819680756 24.305 > 27 28 Mg 0.63428368161790 0.25000000000000 0.07123180319244 24.305 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.369339239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.400087800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.415704560000000 Atomic positions (fractional): *1 B 0.32592452157489 0.18750000000000 0.62973716281818 10.811 > 1 2 B 0.32592452157489 0.43750000000000 0.62973716281818 10.811 > 1 3 B 0.32592452157489 0.68750000000000 0.62973716281818 10.811 > 1 4 B 0.32592452157489 0.93750000000000 0.62973716281818 10.811 > 1 5 B 0.82592452157489 0.18750000000000 0.87026283718182 10.811 > 2 6 B 0.82592452157489 0.43750000000000 0.87026283718182 10.811 > 2 7 B 0.82592452157489 0.68750000000000 0.87026283718182 10.811 > 2 8 B 0.82592452157489 0.93750000000000 0.87026283718182 10.811 > 2 9 B 0.17407547842511 0.06250000000000 0.12973716281818 10.811 > 3 10 B 0.17407547842511 0.31250000000000 0.12973716281818 10.811 > 3 11 B 0.17407547842511 0.56250000000000 0.12973716281818 10.811 > 3 12 B 0.17407547842511 0.81250000000000 0.12973716281818 10.811 > 3 13 B 0.67407547842511 0.06250000000000 0.37026283718182 10.811 > 4 14 B 0.67407547842511 0.31250000000000 0.37026283718182 10.811 > 4 15 B 0.67407547842511 0.56250000000000 0.37026283718182 10.811 > 4 16 B 0.67407547842511 0.81250000000000 0.37026283718182 10.811 > 4 *17 O 0.75847400665772 0.06250000000000 0.24849740457244 15.999 > 5 18 O 0.75847400665772 0.31250000000000 0.24849740457244 15.999 > 5 19 O 0.75847400665772 0.56250000000000 0.24849740457244 15.999 > 5 20 O 0.75847400665772 0.81250000000000 0.24849740457244 15.999 > 5 21 O 0.25847400665772 0.06250000000000 0.25150259542756 15.999 > 6 22 O 0.25847400665772 0.31250000000000 0.25150259542756 15.999 > 6 23 O 0.25847400665772 0.56250000000000 0.25150259542756 15.999 > 6 24 O 0.25847400665772 0.81250000000000 0.25150259542756 15.999 > 6 25 O 0.24152599334228 0.18750000000000 0.75150259542756 15.999 > 7 26 O 0.24152599334228 0.43750000000000 0.75150259542756 15.999 > 7 27 O 0.24152599334228 0.68750000000000 0.75150259542756 15.999 > 7 28 O 0.24152599334228 0.93750000000000 0.75150259542756 15.999 > 7 *29 O 0.97047606465335 0.18750000000000 0.85651762721711 15.999 > 8 30 O 0.97047606465335 0.43750000000000 0.85651762721711 15.999 > 8 31 O 0.97047606465335 0.68750000000000 0.85651762721711 15.999 > 8 32 O 0.97047606465335 0.93750000000000 0.85651762721711 15.999 > 8 33 O 0.52952393534665 0.06250000000000 0.35651762721711 15.999 > 9 34 O 0.52952393534665 0.31250000000000 0.35651762721711 15.999 > 9 35 O 0.52952393534665 0.56250000000000 0.35651762721711 15.999 > 9 36 O 0.52952393534665 0.81250000000000 0.35651762721711 15.999 > 9 37 O 0.74152599334228 0.18750000000000 0.74849740457244 15.999 > 10 38 O 0.74152599334228 0.43750000000000 0.74849740457244 15.999 > 10 39 O 0.74152599334228 0.68750000000000 0.74849740457244 15.999 > 10 40 O 0.74152599334228 0.93750000000000 0.74849740457244 15.999 > 10 41 O 0.47047606465335 0.18750000000000 0.64348237278289 15.999 > 11 42 O 0.47047606465335 0.43750000000000 0.64348237278289 15.999 > 11 43 O 0.47047606465335 0.68750000000000 0.64348237278289 15.999 > 11 44 O 0.47047606465335 0.93750000000000 0.64348237278289 15.999 > 11 45 O 0.02952393534665 0.06250000000000 0.14348237278289 15.999 > 12 46 O 0.02952393534665 0.31250000000000 0.14348237278289 15.999 > 12 47 O 0.02952393534665 0.56250000000000 0.14348237278289 15.999 > 12 48 O 0.02952393534665 0.81250000000000 0.14348237278289 15.999 > 12 *49 O 0.73885370084975 0.06250000000000 0.50362030011746 15.999 > 13 50 O 0.73885370084975 0.31250000000000 0.50362030011746 15.999 > 13 51 O 0.73885370084975 0.56250000000000 0.50362030011746 15.999 > 13 52 O 0.73885370084975 0.81250000000000 0.50362030011746 15.999 > 13 53 O 0.26114629915025 0.18750000000000 0.49637969988254 15.999 > 14 54 O 0.26114629915025 0.43750000000000 0.49637969988254 15.999 > 14 55 O 0.26114629915025 0.68750000000000 0.49637969988254 15.999 > 14 56 O 0.26114629915025 0.93750000000000 0.49637969988254 15.999 > 14 57 O 0.23885370084975 0.06250000000000 0.99637969988254 15.999 > 15 58 O 0.23885370084975 0.31250000000000 0.99637969988254 15.999 > 15 59 O 0.23885370084975 0.56250000000000 0.99637969988254 15.999 > 15 60 O 0.23885370084975 0.81250000000000 0.99637969988254 15.999 > 15 61 O 0.76114629915025 0.18750000000000 0.00362030011746 15.999 > 16 62 O 0.76114629915025 0.43750000000000 0.00362030011746 15.999 > 16 63 O 0.76114629915025 0.68750000000000 0.00362030011746 15.999 > 16 64 O 0.76114629915025 0.93750000000000 0.00362030011746 15.999 > 16 *65 F 0.00823469754522 0.06250000000000 0.60994819599253 18.998 > 17 66 F 0.00823469754522 0.31250000000000 0.60994819599253 18.998 > 17 67 F 0.00823469754522 0.56250000000000 0.60994819599253 18.998 > 17 68 F 0.00823469754522 0.81250000000000 0.60994819599253 18.998 > 17 69 F 0.50823469754522 0.06250000000000 0.89005180400747 18.998 > 18 70 F 0.50823469754522 0.31250000000000 0.89005180400747 18.998 > 18 71 F 0.50823469754522 0.56250000000000 0.89005180400747 18.998 > 18 72 F 0.50823469754522 0.81250000000000 0.89005180400747 18.998 > 18 73 F 0.49176530245478 0.18750000000000 0.10994819599253 18.998 > 19 74 F 0.49176530245478 0.43750000000000 0.10994819599253 18.998 > 19 75 F 0.49176530245478 0.68750000000000 0.10994819599253 18.998 > 19 76 F 0.49176530245478 0.93750000000000 0.10994819599253 18.998 > 19 77 F 0.99176530245478 0.18750000000000 0.39005180400747 18.998 > 20 78 F 0.99176530245478 0.43750000000000 0.39005180400747 18.998 > 20 79 F 0.99176530245478 0.68750000000000 0.39005180400747 18.998 > 20 80 F 0.99176530245478 0.93750000000000 0.39005180400747 18.998 > 20 *81 Mg 0.10098187332998 0.06250000000000 0.81885959197559 24.305 > 21 82 Mg 0.10098187332998 0.31250000000000 0.81885959197559 24.305 > 21 83 Mg 0.10098187332998 0.56250000000000 0.81885959197559 24.305 > 21 84 Mg 0.10098187332998 0.81250000000000 0.81885959197559 24.305 > 21 85 Mg 0.39901812667002 0.18750000000000 0.31885959197559 24.305 > 22 86 Mg 0.39901812667002 0.43750000000000 0.31885959197559 24.305 > 22 87 Mg 0.39901812667002 0.68750000000000 0.31885959197559 24.305 > 22 88 Mg 0.39901812667002 0.93750000000000 0.31885959197559 24.305 > 22 89 Mg 0.60098187332998 0.06250000000000 0.68114040802441 24.305 > 23 90 Mg 0.60098187332998 0.31250000000000 0.68114040802441 24.305 > 23 91 Mg 0.60098187332998 0.56250000000000 0.68114040802441 24.305 > 23 92 Mg 0.60098187332998 0.81250000000000 0.68114040802441 24.305 > 23 93 Mg 0.89901812667002 0.18750000000000 0.18114040802441 24.305 > 24 94 Mg 0.89901812667002 0.43750000000000 0.18114040802441 24.305 > 24 95 Mg 0.89901812667002 0.68750000000000 0.18114040802441 24.305 > 24 96 Mg 0.89901812667002 0.93750000000000 0.18114040802441 24.305 > 24 *97 Mg 0.86571631838210 0.18750000000000 0.57123180319244 24.305 > 25 98 Mg 0.86571631838210 0.43750000000000 0.57123180319244 24.305 > 25 99 Mg 0.86571631838210 0.68750000000000 0.57123180319244 24.305 > 25 100 Mg 0.86571631838210 0.93750000000000 0.57123180319244 24.305 > 25 101 Mg 0.13428368161790 0.06250000000000 0.42876819680756 24.305 > 26 102 Mg 0.13428368161790 0.31250000000000 0.42876819680756 24.305 > 26 103 Mg 0.13428368161790 0.56250000000000 0.42876819680756 24.305 > 26 104 Mg 0.13428368161790 0.81250000000000 0.42876819680756 24.305 > 26 105 Mg 0.36571631838210 0.18750000000000 0.92876819680756 24.305 > 27 106 Mg 0.36571631838210 0.43750000000000 0.92876819680756 24.305 > 27 107 Mg 0.36571631838210 0.68750000000000 0.92876819680756 24.305 > 27 108 Mg 0.36571631838210 0.93750000000000 0.92876819680756 24.305 > 27 109 Mg 0.63428368161790 0.06250000000000 0.07123180319244 24.305 > 28 110 Mg 0.63428368161790 0.31250000000000 0.07123180319244 24.305 > 28 111 Mg 0.63428368161790 0.56250000000000 0.07123180319244 24.305 > 28 112 Mg 0.63428368161790 0.81250000000000 0.07123180319244 24.305 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7408171 0.0000000 0.0000000 0.0000000 2.5508003 0.0000000 0.0000000 0.0000000 2.7757022 -------------------------- Born effective charges -------------------------- 1 B 2.5416019 0.0000000 -0.0263134 0.0000000 0.7193645 0.0000000 0.0112866 0.0000000 2.6007395 2 B 2.5416019 0.0000000 0.0263134 0.0000000 0.7193645 0.0000000 -0.0112866 0.0000000 2.6007395 3 B 2.5416019 0.0000000 0.0263134 0.0000000 0.7193645 0.0000000 -0.0112866 0.0000000 2.6007395 4 B 2.5416019 0.0000000 -0.0263134 0.0000000 0.7193645 0.0000000 0.0112866 0.0000000 2.6007395 5 O -1.7127577 0.0000000 0.5348609 0.0000000 -1.2715887 0.0000000 0.5420637 0.0000000 -2.0749087 6 O -1.7127577 0.0000000 -0.5348609 0.0000000 -1.2715887 0.0000000 -0.5420637 0.0000000 -2.0749087 7 O -1.7127577 0.0000000 0.5348609 0.0000000 -1.2715887 0.0000000 0.5420637 0.0000000 -2.0749087 8 O -2.3662173 0.0000000 0.1203738 0.0000000 -1.2751377 0.0000000 0.1000194 0.0000000 -1.2909273 9 O -2.3662173 0.0000000 -0.1203738 0.0000000 -1.2751377 0.0000000 -0.1000194 0.0000000 -1.2909273 10 O -1.7127577 0.0000000 -0.5348609 0.0000000 -1.2715887 0.0000000 -0.5420637 0.0000000 -2.0749087 11 O -2.3662173 0.0000000 -0.1203738 0.0000000 -1.2751377 0.0000000 -0.1000194 0.0000000 -1.2909273 12 O -2.3662173 0.0000000 0.1203738 0.0000000 -1.2751377 0.0000000 0.1000194 0.0000000 -1.2909273 13 O -1.5304885 0.0000000 -0.3726513 0.0000000 -1.2747405 0.0000000 -0.4298277 0.0000000 -2.2416907 14 O -1.5304885 0.0000000 -0.3726513 0.0000000 -1.2747405 0.0000000 -0.4298277 0.0000000 -2.2416907 15 O -1.5304885 0.0000000 0.3726513 0.0000000 -1.2747405 0.0000000 0.4298277 0.0000000 -2.2416907 16 O -1.5304885 0.0000000 0.3726513 0.0000000 -1.2747405 0.0000000 0.4298277 0.0000000 -2.2416907 17 F -1.2128965 0.0000000 0.0280477 0.0000000 -1.0442334 0.0000000 -0.0217431 0.0000000 -1.1923685 18 F -1.2128965 0.0000000 -0.0280477 0.0000000 -1.0442334 0.0000000 0.0217431 0.0000000 -1.1923685 19 F -1.2128965 0.0000000 -0.0280477 0.0000000 -1.0442334 0.0000000 0.0217431 0.0000000 -1.1923685 20 F -1.2128965 0.0000000 0.0280477 0.0000000 -1.0442334 0.0000000 -0.0217431 0.0000000 -1.1923685 21 Mg 2.2196521 0.0000000 -0.0864581 0.0000000 2.0962616 0.0000000 -0.0630161 0.0000000 2.0467699 22 Mg 2.2196521 0.0000000 0.0864581 0.0000000 2.0962616 0.0000000 0.0630161 0.0000000 2.0467699 23 Mg 2.2196521 0.0000000 0.0864581 0.0000000 2.0962616 0.0000000 0.0630161 0.0000000 2.0467699 24 Mg 2.2196521 0.0000000 -0.0864581 0.0000000 2.0962616 0.0000000 -0.0630161 0.0000000 2.0467699 25 Mg 2.0611059 0.0000000 0.0263167 0.0000000 2.0500742 0.0000000 0.0856965 0.0000000 2.1523858 26 Mg 2.0611059 0.0000000 0.0263167 0.0000000 2.0500742 0.0000000 0.0856965 0.0000000 2.1523858 27 Mg 2.0611059 0.0000000 -0.0263167 0.0000000 2.0500742 0.0000000 -0.0856965 0.0000000 2.1523858 28 Mg 2.0611059 0.0000000 -0.0263167 0.0000000 2.0500742 0.0000000 -0.0856965 0.0000000 2.1523858 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.094 Solver_block: 200 / 480 - Time: 3.086 Solver_block: 300 / 480 - Time: 3.095 Solver_block: 400 / 480 - Time: 3.086 Solver_block: 480 / 480 - Time: 2.498 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.907 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:40:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:40:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.369339239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.100021950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.415704560000000 Atomic positions (fractional): 1 B 0.32592452157489 0.75000000000000 0.62973716281818 10.811 2 B 0.82592452157489 0.75000000000000 0.87026283718182 10.811 3 B 0.17407547842511 0.25000000000000 0.12973716281818 10.811 4 B 0.67407547842511 0.25000000000000 0.37026283718182 10.811 5 O 0.75847400665772 0.25000000000000 0.24849740457244 15.999 6 O 0.25847400665772 0.25000000000000 0.25150259542756 15.999 7 O 0.24152599334228 0.75000000000000 0.75150259542756 15.999 8 O 0.97047606465335 0.75000000000000 0.85651762721711 15.999 9 O 0.52952393534665 0.25000000000000 0.35651762721711 15.999 10 O 0.74152599334228 0.75000000000000 0.74849740457244 15.999 11 O 0.47047606465335 0.75000000000000 0.64348237278289 15.999 12 O 0.02952393534665 0.25000000000000 0.14348237278289 15.999 13 O 0.73885370084975 0.25000000000000 0.50362030011746 15.999 14 O 0.26114629915025 0.75000000000000 0.49637969988254 15.999 15 O 0.23885370084975 0.25000000000000 0.99637969988254 15.999 16 O 0.76114629915025 0.75000000000000 0.00362030011746 15.999 17 F 0.00823469754522 0.25000000000000 0.60994819599253 18.998 18 F 0.50823469754522 0.25000000000000 0.89005180400747 18.998 19 F 0.49176530245478 0.75000000000000 0.10994819599253 18.998 20 F 0.99176530245478 0.75000000000000 0.39005180400747 18.998 21 Mg 0.10098187332998 0.25000000000000 0.81885959197559 24.305 22 Mg 0.39901812667002 0.75000000000000 0.31885959197559 24.305 23 Mg 0.60098187332998 0.25000000000000 0.68114040802441 24.305 24 Mg 0.89901812667002 0.75000000000000 0.18114040802441 24.305 25 Mg 0.86571631838210 0.75000000000000 0.57123180319244 24.305 26 Mg 0.13428368161790 0.25000000000000 0.42876819680756 24.305 27 Mg 0.36571631838210 0.75000000000000 0.92876819680756 24.305 28 Mg 0.63428368161790 0.25000000000000 0.07123180319244 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.369339239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.400087800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.415704560000000 Atomic positions (fractional): 1 B 0.32592452157489 0.18750000000000 0.62973716281818 10.811 > 1 2 B 0.32592452157489 0.43750000000000 0.62973716281818 10.811 > 1 3 B 0.32592452157489 0.68750000000000 0.62973716281818 10.811 > 1 4 B 0.32592452157489 0.93750000000000 0.62973716281818 10.811 > 1 5 B 0.82592452157489 0.18750000000000 0.87026283718182 10.811 > 5 6 B 0.82592452157489 0.43750000000000 0.87026283718182 10.811 > 5 7 B 0.82592452157489 0.68750000000000 0.87026283718182 10.811 > 5 8 B 0.82592452157489 0.93750000000000 0.87026283718182 10.811 > 5 9 B 0.17407547842511 0.06250000000000 0.12973716281818 10.811 > 9 10 B 0.17407547842511 0.31250000000000 0.12973716281818 10.811 > 9 11 B 0.17407547842511 0.56250000000000 0.12973716281818 10.811 > 9 12 B 0.17407547842511 0.81250000000000 0.12973716281818 10.811 > 9 13 B 0.67407547842511 0.06250000000000 0.37026283718182 10.811 > 13 14 B 0.67407547842511 0.31250000000000 0.37026283718182 10.811 > 13 15 B 0.67407547842511 0.56250000000000 0.37026283718182 10.811 > 13 16 B 0.67407547842511 0.81250000000000 0.37026283718182 10.811 > 13 17 O 0.75847400665772 0.06250000000000 0.24849740457244 15.999 > 17 18 O 0.75847400665772 0.31250000000000 0.24849740457244 15.999 > 17 19 O 0.75847400665772 0.56250000000000 0.24849740457244 15.999 > 17 20 O 0.75847400665772 0.81250000000000 0.24849740457244 15.999 > 17 21 O 0.25847400665772 0.06250000000000 0.25150259542756 15.999 > 21 22 O 0.25847400665772 0.31250000000000 0.25150259542756 15.999 > 21 23 O 0.25847400665772 0.56250000000000 0.25150259542756 15.999 > 21 24 O 0.25847400665772 0.81250000000000 0.25150259542756 15.999 > 21 25 O 0.24152599334228 0.18750000000000 0.75150259542756 15.999 > 25 26 O 0.24152599334228 0.43750000000000 0.75150259542756 15.999 > 25 27 O 0.24152599334228 0.68750000000000 0.75150259542756 15.999 > 25 28 O 0.24152599334228 0.93750000000000 0.75150259542756 15.999 > 25 29 O 0.97047606465335 0.18750000000000 0.85651762721711 15.999 > 29 30 O 0.97047606465335 0.43750000000000 0.85651762721711 15.999 > 29 31 O 0.97047606465335 0.68750000000000 0.85651762721711 15.999 > 29 32 O 0.97047606465335 0.93750000000000 0.85651762721711 15.999 > 29 33 O 0.52952393534665 0.06250000000000 0.35651762721711 15.999 > 33 34 O 0.52952393534665 0.31250000000000 0.35651762721711 15.999 > 33 35 O 0.52952393534665 0.56250000000000 0.35651762721711 15.999 > 33 36 O 0.52952393534665 0.81250000000000 0.35651762721711 15.999 > 33 37 O 0.74152599334228 0.18750000000000 0.74849740457244 15.999 > 37 38 O 0.74152599334228 0.43750000000000 0.74849740457244 15.999 > 37 39 O 0.74152599334228 0.68750000000000 0.74849740457244 15.999 > 37 40 O 0.74152599334228 0.93750000000000 0.74849740457244 15.999 > 37 41 O 0.47047606465335 0.18750000000000 0.64348237278289 15.999 > 41 42 O 0.47047606465335 0.43750000000000 0.64348237278289 15.999 > 41 43 O 0.47047606465335 0.68750000000000 0.64348237278289 15.999 > 41 44 O 0.47047606465335 0.93750000000000 0.64348237278289 15.999 > 41 45 O 0.02952393534665 0.06250000000000 0.14348237278289 15.999 > 45 46 O 0.02952393534665 0.31250000000000 0.14348237278289 15.999 > 45 47 O 0.02952393534665 0.56250000000000 0.14348237278289 15.999 > 45 48 O 0.02952393534665 0.81250000000000 0.14348237278289 15.999 > 45 49 O 0.73885370084975 0.06250000000000 0.50362030011746 15.999 > 49 50 O 0.73885370084975 0.31250000000000 0.50362030011746 15.999 > 49 51 O 0.73885370084975 0.56250000000000 0.50362030011746 15.999 > 49 52 O 0.73885370084975 0.81250000000000 0.50362030011746 15.999 > 49 53 O 0.26114629915025 0.18750000000000 0.49637969988254 15.999 > 53 54 O 0.26114629915025 0.43750000000000 0.49637969988254 15.999 > 53 55 O 0.26114629915025 0.68750000000000 0.49637969988254 15.999 > 53 56 O 0.26114629915025 0.93750000000000 0.49637969988254 15.999 > 53 57 O 0.23885370084975 0.06250000000000 0.99637969988254 15.999 > 57 58 O 0.23885370084975 0.31250000000000 0.99637969988254 15.999 > 57 59 O 0.23885370084975 0.56250000000000 0.99637969988254 15.999 > 57 60 O 0.23885370084975 0.81250000000000 0.99637969988254 15.999 > 57 61 O 0.76114629915025 0.18750000000000 0.00362030011746 15.999 > 61 62 O 0.76114629915025 0.43750000000000 0.00362030011746 15.999 > 61 63 O 0.76114629915025 0.68750000000000 0.00362030011746 15.999 > 61 64 O 0.76114629915025 0.93750000000000 0.00362030011746 15.999 > 61 65 F 0.00823469754522 0.06250000000000 0.60994819599253 18.998 > 65 66 F 0.00823469754522 0.31250000000000 0.60994819599253 18.998 > 65 67 F 0.00823469754522 0.56250000000000 0.60994819599253 18.998 > 65 68 F 0.00823469754522 0.81250000000000 0.60994819599253 18.998 > 65 69 F 0.50823469754522 0.06250000000000 0.89005180400747 18.998 > 69 70 F 0.50823469754522 0.31250000000000 0.89005180400747 18.998 > 69 71 F 0.50823469754522 0.56250000000000 0.89005180400747 18.998 > 69 72 F 0.50823469754522 0.81250000000000 0.89005180400747 18.998 > 69 73 F 0.49176530245478 0.18750000000000 0.10994819599253 18.998 > 73 74 F 0.49176530245478 0.43750000000000 0.10994819599253 18.998 > 73 75 F 0.49176530245478 0.68750000000000 0.10994819599253 18.998 > 73 76 F 0.49176530245478 0.93750000000000 0.10994819599253 18.998 > 73 77 F 0.99176530245478 0.18750000000000 0.39005180400747 18.998 > 77 78 F 0.99176530245478 0.43750000000000 0.39005180400747 18.998 > 77 79 F 0.99176530245478 0.68750000000000 0.39005180400747 18.998 > 77 80 F 0.99176530245478 0.93750000000000 0.39005180400747 18.998 > 77 81 Mg 0.10098187332998 0.06250000000000 0.81885959197559 24.305 > 81 82 Mg 0.10098187332998 0.31250000000000 0.81885959197559 24.305 > 81 83 Mg 0.10098187332998 0.56250000000000 0.81885959197559 24.305 > 81 84 Mg 0.10098187332998 0.81250000000000 0.81885959197559 24.305 > 81 85 Mg 0.39901812667002 0.18750000000000 0.31885959197559 24.305 > 85 86 Mg 0.39901812667002 0.43750000000000 0.31885959197559 24.305 > 85 87 Mg 0.39901812667002 0.68750000000000 0.31885959197559 24.305 > 85 88 Mg 0.39901812667002 0.93750000000000 0.31885959197559 24.305 > 85 89 Mg 0.60098187332998 0.06250000000000 0.68114040802441 24.305 > 89 90 Mg 0.60098187332998 0.31250000000000 0.68114040802441 24.305 > 89 91 Mg 0.60098187332998 0.56250000000000 0.68114040802441 24.305 > 89 92 Mg 0.60098187332998 0.81250000000000 0.68114040802441 24.305 > 89 93 Mg 0.89901812667002 0.18750000000000 0.18114040802441 24.305 > 93 94 Mg 0.89901812667002 0.43750000000000 0.18114040802441 24.305 > 93 95 Mg 0.89901812667002 0.68750000000000 0.18114040802441 24.305 > 93 96 Mg 0.89901812667002 0.93750000000000 0.18114040802441 24.305 > 93 97 Mg 0.86571631838210 0.18750000000000 0.57123180319244 24.305 > 97 98 Mg 0.86571631838210 0.43750000000000 0.57123180319244 24.305 > 97 99 Mg 0.86571631838210 0.68750000000000 0.57123180319244 24.305 > 97 100 Mg 0.86571631838210 0.93750000000000 0.57123180319244 24.305 > 97 101 Mg 0.13428368161790 0.06250000000000 0.42876819680756 24.305 > 101 102 Mg 0.13428368161790 0.31250000000000 0.42876819680756 24.305 > 101 103 Mg 0.13428368161790 0.56250000000000 0.42876819680756 24.305 > 101 104 Mg 0.13428368161790 0.81250000000000 0.42876819680756 24.305 > 101 105 Mg 0.36571631838210 0.18750000000000 0.92876819680756 24.305 > 105 106 Mg 0.36571631838210 0.43750000000000 0.92876819680756 24.305 > 105 107 Mg 0.36571631838210 0.68750000000000 0.92876819680756 24.305 > 105 108 Mg 0.36571631838210 0.93750000000000 0.92876819680756 24.305 > 105 109 Mg 0.63428368161790 0.06250000000000 0.07123180319244 24.305 > 109 110 Mg 0.63428368161790 0.31250000000000 0.07123180319244 24.305 > 109 111 Mg 0.63428368161790 0.56250000000000 0.07123180319244 24.305 > 109 112 Mg 0.63428368161790 0.81250000000000 0.07123180319244 24.305 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7408171 0.0000000 0.0000000 0.0000000 2.5508003 0.0000000 0.0000000 0.0000000 2.7757022 -------------------------- Born effective charges -------------------------- 1 B 2.5416019 0.0000000 -0.0263134 0.0000000 0.7193645 0.0000000 0.0112866 0.0000000 2.6007395 2 B 2.5416019 0.0000000 0.0263134 0.0000000 0.7193645 0.0000000 -0.0112866 0.0000000 2.6007395 3 B 2.5416019 0.0000000 0.0263134 0.0000000 0.7193645 0.0000000 -0.0112866 0.0000000 2.6007395 4 B 2.5416019 0.0000000 -0.0263134 0.0000000 0.7193645 0.0000000 0.0112866 0.0000000 2.6007395 5 O -1.7127577 0.0000000 0.5348609 0.0000000 -1.2715887 0.0000000 0.5420637 0.0000000 -2.0749087 6 O -1.7127577 0.0000000 -0.5348609 0.0000000 -1.2715887 0.0000000 -0.5420637 0.0000000 -2.0749087 7 O -1.7127577 0.0000000 0.5348609 0.0000000 -1.2715887 0.0000000 0.5420637 0.0000000 -2.0749087 8 O -2.3662173 0.0000000 0.1203738 0.0000000 -1.2751377 0.0000000 0.1000194 0.0000000 -1.2909273 9 O -2.3662173 0.0000000 -0.1203738 0.0000000 -1.2751377 0.0000000 -0.1000194 0.0000000 -1.2909273 10 O -1.7127577 0.0000000 -0.5348609 0.0000000 -1.2715887 0.0000000 -0.5420637 0.0000000 -2.0749087 11 O -2.3662173 0.0000000 -0.1203738 0.0000000 -1.2751377 0.0000000 -0.1000194 0.0000000 -1.2909273 12 O -2.3662173 0.0000000 0.1203738 0.0000000 -1.2751377 0.0000000 0.1000194 0.0000000 -1.2909273 13 O -1.5304885 0.0000000 -0.3726513 0.0000000 -1.2747405 0.0000000 -0.4298277 0.0000000 -2.2416907 14 O -1.5304885 0.0000000 -0.3726513 0.0000000 -1.2747405 0.0000000 -0.4298277 0.0000000 -2.2416907 15 O -1.5304885 0.0000000 0.3726513 0.0000000 -1.2747405 0.0000000 0.4298277 0.0000000 -2.2416907 16 O -1.5304885 0.0000000 0.3726513 0.0000000 -1.2747405 0.0000000 0.4298277 0.0000000 -2.2416907 17 F -1.2128965 0.0000000 0.0280477 0.0000000 -1.0442334 0.0000000 -0.0217431 0.0000000 -1.1923685 18 F -1.2128965 0.0000000 -0.0280477 0.0000000 -1.0442334 0.0000000 0.0217431 0.0000000 -1.1923685 19 F -1.2128965 0.0000000 -0.0280477 0.0000000 -1.0442334 0.0000000 0.0217431 0.0000000 -1.1923685 20 F -1.2128965 0.0000000 0.0280477 0.0000000 -1.0442334 0.0000000 -0.0217431 0.0000000 -1.1923685 21 Mg 2.2196521 0.0000000 -0.0864581 0.0000000 2.0962616 0.0000000 -0.0630161 0.0000000 2.0467699 22 Mg 2.2196521 0.0000000 0.0864581 0.0000000 2.0962616 0.0000000 0.0630161 0.0000000 2.0467699 23 Mg 2.2196521 0.0000000 0.0864581 0.0000000 2.0962616 0.0000000 0.0630161 0.0000000 2.0467699 24 Mg 2.2196521 0.0000000 -0.0864581 0.0000000 2.0962616 0.0000000 -0.0630161 0.0000000 2.0467699 25 Mg 2.0611059 0.0000000 0.0263167 0.0000000 2.0500742 0.0000000 0.0856965 0.0000000 2.1523858 26 Mg 2.0611059 0.0000000 0.0263167 0.0000000 2.0500742 0.0000000 0.0856965 0.0000000 2.1523858 27 Mg 2.0611059 0.0000000 -0.0263167 0.0000000 2.0500742 0.0000000 -0.0856965 0.0000000 2.1523858 28 Mg 2.0611059 0.0000000 -0.0263167 0.0000000 2.0500742 0.0000000 -0.0856965 0.0000000 2.1523858 ---------------------------------------------------------------------------- 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[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 2026-01-07 22:40:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:40:35]------------------------- 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.369339239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.100021950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.415704560000000 Atomic positions (fractional): 1 B 0.32592452157489 0.75000000000000 0.62973716281818 10.811 2 B 0.82592452157489 0.75000000000000 0.87026283718182 10.811 3 B 0.17407547842511 0.25000000000000 0.12973716281818 10.811 4 B 0.67407547842511 0.25000000000000 0.37026283718182 10.811 5 O 0.75847400665772 0.25000000000000 0.24849740457244 15.999 6 O 0.25847400665772 0.25000000000000 0.25150259542756 15.999 7 O 0.24152599334228 0.75000000000000 0.75150259542756 15.999 8 O 0.97047606465335 0.75000000000000 0.85651762721711 15.999 9 O 0.52952393534665 0.25000000000000 0.35651762721711 15.999 10 O 0.74152599334228 0.75000000000000 0.74849740457244 15.999 11 O 0.47047606465335 0.75000000000000 0.64348237278289 15.999 12 O 0.02952393534665 0.25000000000000 0.14348237278289 15.999 13 O 0.73885370084975 0.25000000000000 0.50362030011746 15.999 14 O 0.26114629915025 0.75000000000000 0.49637969988254 15.999 15 O 0.23885370084975 0.25000000000000 0.99637969988254 15.999 16 O 0.76114629915025 0.75000000000000 0.00362030011746 15.999 17 F 0.00823469754522 0.25000000000000 0.60994819599253 18.998 18 F 0.50823469754522 0.25000000000000 0.89005180400747 18.998 19 F 0.49176530245478 0.75000000000000 0.10994819599253 18.998 20 F 0.99176530245478 0.75000000000000 0.39005180400747 18.998 21 Mg 0.10098187332998 0.25000000000000 0.81885959197559 24.305 22 Mg 0.39901812667002 0.75000000000000 0.31885959197559 24.305 23 Mg 0.60098187332998 0.25000000000000 0.68114040802441 24.305 24 Mg 0.89901812667002 0.75000000000000 0.18114040802441 24.305 25 Mg 0.86571631838210 0.75000000000000 0.57123180319244 24.305 26 Mg 0.13428368161790 0.25000000000000 0.42876819680756 24.305 27 Mg 0.36571631838210 0.75000000000000 0.92876819680756 24.305 28 Mg 0.63428368161790 0.25000000000000 0.07123180319244 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.369339239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.400087800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.415704560000000 Atomic positions (fractional): 1 B 0.32592452157489 0.18750000000000 0.62973716281818 10.811 > 1 2 B 0.32592452157489 0.43750000000000 0.62973716281818 10.811 > 1 3 B 0.32592452157489 0.68750000000000 0.62973716281818 10.811 > 1 4 B 0.32592452157489 0.93750000000000 0.62973716281818 10.811 > 1 5 B 0.82592452157489 0.18750000000000 0.87026283718182 10.811 > 5 6 B 0.82592452157489 0.43750000000000 0.87026283718182 10.811 > 5 7 B 0.82592452157489 0.68750000000000 0.87026283718182 10.811 > 5 8 B 0.82592452157489 0.93750000000000 0.87026283718182 10.811 > 5 9 B 0.17407547842511 0.06250000000000 0.12973716281818 10.811 > 9 10 B 0.17407547842511 0.31250000000000 0.12973716281818 10.811 > 9 11 B 0.17407547842511 0.56250000000000 0.12973716281818 10.811 > 9 12 B 0.17407547842511 0.81250000000000 0.12973716281818 10.811 > 9 13 B 0.67407547842511 0.06250000000000 0.37026283718182 10.811 > 13 14 B 0.67407547842511 0.31250000000000 0.37026283718182 10.811 > 13 15 B 0.67407547842511 0.56250000000000 0.37026283718182 10.811 > 13 16 B 0.67407547842511 0.81250000000000 0.37026283718182 10.811 > 13 17 O 0.75847400665772 0.06250000000000 0.24849740457244 15.999 > 17 18 O 0.75847400665772 0.31250000000000 0.24849740457244 15.999 > 17 19 O 0.75847400665772 0.56250000000000 0.24849740457244 15.999 > 17 20 O 0.75847400665772 0.81250000000000 0.24849740457244 15.999 > 17 21 O 0.25847400665772 0.06250000000000 0.25150259542756 15.999 > 21 22 O 0.25847400665772 0.31250000000000 0.25150259542756 15.999 > 21 23 O 0.25847400665772 0.56250000000000 0.25150259542756 15.999 > 21 24 O 0.25847400665772 0.81250000000000 0.25150259542756 15.999 > 21 25 O 0.24152599334228 0.18750000000000 0.75150259542756 15.999 > 25 26 O 0.24152599334228 0.43750000000000 0.75150259542756 15.999 > 25 27 O 0.24152599334228 0.68750000000000 0.75150259542756 15.999 > 25 28 O 0.24152599334228 0.93750000000000 0.75150259542756 15.999 > 25 29 O 0.97047606465335 0.18750000000000 0.85651762721711 15.999 > 29 30 O 0.97047606465335 0.43750000000000 0.85651762721711 15.999 > 29 31 O 0.97047606465335 0.68750000000000 0.85651762721711 15.999 > 29 32 O 0.97047606465335 0.93750000000000 0.85651762721711 15.999 > 29 33 O 0.52952393534665 0.06250000000000 0.35651762721711 15.999 > 33 34 O 0.52952393534665 0.31250000000000 0.35651762721711 15.999 > 33 35 O 0.52952393534665 0.56250000000000 0.35651762721711 15.999 > 33 36 O 0.52952393534665 0.81250000000000 0.35651762721711 15.999 > 33 37 O 0.74152599334228 0.18750000000000 0.74849740457244 15.999 > 37 38 O 0.74152599334228 0.43750000000000 0.74849740457244 15.999 > 37 39 O 0.74152599334228 0.68750000000000 0.74849740457244 15.999 > 37 40 O 0.74152599334228 0.93750000000000 0.74849740457244 15.999 > 37 41 O 0.47047606465335 0.18750000000000 0.64348237278289 15.999 > 41 42 O 0.47047606465335 0.43750000000000 0.64348237278289 15.999 > 41 43 O 0.47047606465335 0.68750000000000 0.64348237278289 15.999 > 41 44 O 0.47047606465335 0.93750000000000 0.64348237278289 15.999 > 41 45 O 0.02952393534665 0.06250000000000 0.14348237278289 15.999 > 45 46 O 0.02952393534665 0.31250000000000 0.14348237278289 15.999 > 45 47 O 0.02952393534665 0.56250000000000 0.14348237278289 15.999 > 45 48 O 0.02952393534665 0.81250000000000 0.14348237278289 15.999 > 45 49 O 0.73885370084975 0.06250000000000 0.50362030011746 15.999 > 49 50 O 0.73885370084975 0.31250000000000 0.50362030011746 15.999 > 49 51 O 0.73885370084975 0.56250000000000 0.50362030011746 15.999 > 49 52 O 0.73885370084975 0.81250000000000 0.50362030011746 15.999 > 49 53 O 0.26114629915025 0.18750000000000 0.49637969988254 15.999 > 53 54 O 0.26114629915025 0.43750000000000 0.49637969988254 15.999 > 53 55 O 0.26114629915025 0.68750000000000 0.49637969988254 15.999 > 53 56 O 0.26114629915025 0.93750000000000 0.49637969988254 15.999 > 53 57 O 0.23885370084975 0.06250000000000 0.99637969988254 15.999 > 57 58 O 0.23885370084975 0.31250000000000 0.99637969988254 15.999 > 57 59 O 0.23885370084975 0.56250000000000 0.99637969988254 15.999 > 57 60 O 0.23885370084975 0.81250000000000 0.99637969988254 15.999 > 57 61 O 0.76114629915025 0.18750000000000 0.00362030011746 15.999 > 61 62 O 0.76114629915025 0.43750000000000 0.00362030011746 15.999 > 61 63 O 0.76114629915025 0.68750000000000 0.00362030011746 15.999 > 61 64 O 0.76114629915025 0.93750000000000 0.00362030011746 15.999 > 61 65 F 0.00823469754522 0.06250000000000 0.60994819599253 18.998 > 65 66 F 0.00823469754522 0.31250000000000 0.60994819599253 18.998 > 65 67 F 0.00823469754522 0.56250000000000 0.60994819599253 18.998 > 65 68 F 0.00823469754522 0.81250000000000 0.60994819599253 18.998 > 65 69 F 0.50823469754522 0.06250000000000 0.89005180400747 18.998 > 69 70 F 0.50823469754522 0.31250000000000 0.89005180400747 18.998 > 69 71 F 0.50823469754522 0.56250000000000 0.89005180400747 18.998 > 69 72 F 0.50823469754522 0.81250000000000 0.89005180400747 18.998 > 69 73 F 0.49176530245478 0.18750000000000 0.10994819599253 18.998 > 73 74 F 0.49176530245478 0.43750000000000 0.10994819599253 18.998 > 73 75 F 0.49176530245478 0.68750000000000 0.10994819599253 18.998 > 73 76 F 0.49176530245478 0.93750000000000 0.10994819599253 18.998 > 73 77 F 0.99176530245478 0.18750000000000 0.39005180400747 18.998 > 77 78 F 0.99176530245478 0.43750000000000 0.39005180400747 18.998 > 77 79 F 0.99176530245478 0.68750000000000 0.39005180400747 18.998 > 77 80 F 0.99176530245478 0.93750000000000 0.39005180400747 18.998 > 77 81 Mg 0.10098187332998 0.06250000000000 0.81885959197559 24.305 > 81 82 Mg 0.10098187332998 0.31250000000000 0.81885959197559 24.305 > 81 83 Mg 0.10098187332998 0.56250000000000 0.81885959197559 24.305 > 81 84 Mg 0.10098187332998 0.81250000000000 0.81885959197559 24.305 > 81 85 Mg 0.39901812667002 0.18750000000000 0.31885959197559 24.305 > 85 86 Mg 0.39901812667002 0.43750000000000 0.31885959197559 24.305 > 85 87 Mg 0.39901812667002 0.68750000000000 0.31885959197559 24.305 > 85 88 Mg 0.39901812667002 0.93750000000000 0.31885959197559 24.305 > 85 89 Mg 0.60098187332998 0.06250000000000 0.68114040802441 24.305 > 89 90 Mg 0.60098187332998 0.31250000000000 0.68114040802441 24.305 > 89 91 Mg 0.60098187332998 0.56250000000000 0.68114040802441 24.305 > 89 92 Mg 0.60098187332998 0.81250000000000 0.68114040802441 24.305 > 89 93 Mg 0.89901812667002 0.18750000000000 0.18114040802441 24.305 > 93 94 Mg 0.89901812667002 0.43750000000000 0.18114040802441 24.305 > 93 95 Mg 0.89901812667002 0.68750000000000 0.18114040802441 24.305 > 93 96 Mg 0.89901812667002 0.93750000000000 0.18114040802441 24.305 > 93 97 Mg 0.86571631838210 0.18750000000000 0.57123180319244 24.305 > 97 98 Mg 0.86571631838210 0.43750000000000 0.57123180319244 24.305 > 97 99 Mg 0.86571631838210 0.68750000000000 0.57123180319244 24.305 > 97 100 Mg 0.86571631838210 0.93750000000000 0.57123180319244 24.305 > 97 101 Mg 0.13428368161790 0.06250000000000 0.42876819680756 24.305 > 101 102 Mg 0.13428368161790 0.31250000000000 0.42876819680756 24.305 > 101 103 Mg 0.13428368161790 0.56250000000000 0.42876819680756 24.305 > 101 104 Mg 0.13428368161790 0.81250000000000 0.42876819680756 24.305 > 101 105 Mg 0.36571631838210 0.18750000000000 0.92876819680756 24.305 > 105 106 Mg 0.36571631838210 0.43750000000000 0.92876819680756 24.305 > 105 107 Mg 0.36571631838210 0.68750000000000 0.92876819680756 24.305 > 105 108 Mg 0.36571631838210 0.93750000000000 0.92876819680756 24.305 > 105 109 Mg 0.63428368161790 0.06250000000000 0.07123180319244 24.305 > 109 110 Mg 0.63428368161790 0.31250000000000 0.07123180319244 24.305 > 109 111 Mg 0.63428368161790 0.56250000000000 0.07123180319244 24.305 > 109 112 Mg 0.63428368161790 0.81250000000000 0.07123180319244 24.305 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7408171 0.0000000 0.0000000 0.0000000 2.5508003 0.0000000 0.0000000 0.0000000 2.7757022 -------------------------- Born effective charges -------------------------- 1 B 2.5416019 0.0000000 -0.0263134 0.0000000 0.7193645 0.0000000 0.0112866 0.0000000 2.6007395 2 B 2.5416019 0.0000000 0.0263134 0.0000000 0.7193645 0.0000000 -0.0112866 0.0000000 2.6007395 3 B 2.5416019 0.0000000 0.0263134 0.0000000 0.7193645 0.0000000 -0.0112866 0.0000000 2.6007395 4 B 2.5416019 0.0000000 -0.0263134 0.0000000 0.7193645 0.0000000 0.0112866 0.0000000 2.6007395 5 O -1.7127577 0.0000000 0.5348609 0.0000000 -1.2715887 0.0000000 0.5420637 0.0000000 -2.0749087 6 O -1.7127577 0.0000000 -0.5348609 0.0000000 -1.2715887 0.0000000 -0.5420637 0.0000000 -2.0749087 7 O -1.7127577 0.0000000 0.5348609 0.0000000 -1.2715887 0.0000000 0.5420637 0.0000000 -2.0749087 8 O -2.3662173 0.0000000 0.1203738 0.0000000 -1.2751377 0.0000000 0.1000194 0.0000000 -1.2909273 9 O -2.3662173 0.0000000 -0.1203738 0.0000000 -1.2751377 0.0000000 -0.1000194 0.0000000 -1.2909273 10 O -1.7127577 0.0000000 -0.5348609 0.0000000 -1.2715887 0.0000000 -0.5420637 0.0000000 -2.0749087 11 O -2.3662173 0.0000000 -0.1203738 0.0000000 -1.2751377 0.0000000 -0.1000194 0.0000000 -1.2909273 12 O -2.3662173 0.0000000 0.1203738 0.0000000 -1.2751377 0.0000000 0.1000194 0.0000000 -1.2909273 13 O -1.5304885 0.0000000 -0.3726513 0.0000000 -1.2747405 0.0000000 -0.4298277 0.0000000 -2.2416907 14 O -1.5304885 0.0000000 -0.3726513 0.0000000 -1.2747405 0.0000000 -0.4298277 0.0000000 -2.2416907 15 O -1.5304885 0.0000000 0.3726513 0.0000000 -1.2747405 0.0000000 0.4298277 0.0000000 -2.2416907 16 O -1.5304885 0.0000000 0.3726513 0.0000000 -1.2747405 0.0000000 0.4298277 0.0000000 -2.2416907 17 F -1.2128965 0.0000000 0.0280477 0.0000000 -1.0442334 0.0000000 -0.0217431 0.0000000 -1.1923685 18 F -1.2128965 0.0000000 -0.0280477 0.0000000 -1.0442334 0.0000000 0.0217431 0.0000000 -1.1923685 19 F -1.2128965 0.0000000 -0.0280477 0.0000000 -1.0442334 0.0000000 0.0217431 0.0000000 -1.1923685 20 F -1.2128965 0.0000000 0.0280477 0.0000000 -1.0442334 0.0000000 -0.0217431 0.0000000 -1.1923685 21 Mg 2.2196521 0.0000000 -0.0864581 0.0000000 2.0962616 0.0000000 -0.0630161 0.0000000 2.0467699 22 Mg 2.2196521 0.0000000 0.0864581 0.0000000 2.0962616 0.0000000 0.0630161 0.0000000 2.0467699 23 Mg 2.2196521 0.0000000 0.0864581 0.0000000 2.0962616 0.0000000 0.0630161 0.0000000 2.0467699 24 Mg 2.2196521 0.0000000 -0.0864581 0.0000000 2.0962616 0.0000000 -0.0630161 0.0000000 2.0467699 25 Mg 2.0611059 0.0000000 0.0263167 0.0000000 2.0500742 0.0000000 0.0856965 0.0000000 2.1523858 26 Mg 2.0611059 0.0000000 0.0263167 0.0000000 2.0500742 0.0000000 0.0856965 0.0000000 2.1523858 27 Mg 2.0611059 0.0000000 -0.0263167 0.0000000 2.0500742 0.0000000 -0.0856965 0.0000000 2.1523858 28 Mg 2.0611059 0.0000000 -0.0263167 0.0000000 2.0500742 0.0000000 -0.0856965 0.0000000 2.1523858 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 16 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 289, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/81) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 81 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 2.869 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.447 ( 0.000 0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000 7.671 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 8.859 ( 0.000 0.000 0.000) 0.000 8.887 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 9.048 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.676 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.391 ( 0.000 0.000 0.000) 0.000 10.468 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 11.210 ( 0.000 0.000 0.000) 0.000 11.234 ( 0.000 0.000 0.000) 0.000 11.448 ( 0.000 0.000 0.000) 0.000 11.458 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 12.005 ( 0.000 0.000 0.000) 0.000 12.065 ( 0.000 0.000 0.000) 0.000 12.254 ( 0.000 0.000 0.000) 0.000 12.267 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 12.455 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 13.254 ( 0.000 0.000 0.000) 0.000 13.694 ( 0.000 0.000 0.000) 0.000 14.494 ( 0.000 0.000 0.000) 0.000 14.597 ( 0.000 0.000 0.000) 0.000 17.773 ( 0.000 0.000 0.000) 0.000 18.093 ( 0.000 0.000 0.000) 0.000 18.235 ( 0.000 0.000 0.000) 0.000 18.640 ( 0.000 0.000 0.000) 0.000 18.994 ( 0.000 0.000 0.000) 0.000 19.110 ( 0.000 0.000 0.000) 0.000 19.142 ( 0.000 0.000 0.000) 0.000 19.303 ( 0.000 0.000 0.000) 0.000 21.041 ( 0.000 0.000 0.000) 0.000 21.075 ( 0.000 0.000 0.000) 0.000 21.080 ( 0.000 0.000 0.000) 0.000 21.081 ( 0.000 0.000 0.000) 0.000 28.424 ( 0.000 0.000 0.000) 0.000 28.486 ( 0.000 0.000 0.000) 0.000 28.505 ( 0.000 0.000 0.000) 0.000 28.708 ( 0.000 0.000 0.000) 0.000 36.292 ( 0.000 0.000 0.000) 0.000 36.408 ( 0.000 0.000 0.000) 0.000 38.280 ( 0.000 0.000 0.000) 0.000 39.494 ( 0.000 0.000 0.000) 0.000 40.388 ( 0.000 0.000 0.000) 0.000 41.021 ( 0.000 0.000 0.000) 0.000 41.668 ( 0.000 0.000 0.000) 0.000 42.188 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/81) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 35.355 0.000 0.000) 35.355 1.085 ( 49.863 0.000 0.000) 49.863 1.976 ( 90.950 0.000 0.000) 90.950 2.862 ( -6.809 0.000 0.000) 6.809 2.976 ( -22.537 0.000 0.000) 22.537 3.132 ( -3.377 0.000 0.000) 3.377 3.724 ( -22.018 0.000 0.000) 22.018 4.009 ( -11.247 0.000 0.000) 11.247 4.035 ( -17.937 0.000 0.000) 17.937 4.301 ( 24.647 0.000 0.000) 24.647 4.797 ( 0.906 0.000 0.000) 0.906 5.346 ( 2.005 0.000 0.000) 2.005 5.401 ( -6.702 0.000 0.000) 6.702 5.438 ( 3.848 0.000 0.000) 3.848 5.609 ( 11.494 0.000 0.000) 11.494 5.805 ( -5.031 0.000 0.000) 5.031 5.986 ( 7.732 0.000 0.000) 7.732 6.340 ( 17.038 0.000 0.000) 17.038 6.882 ( 6.173 0.000 0.000) 6.173 7.103 ( -0.226 0.000 0.000) 0.226 7.136 ( -0.436 0.000 0.000) 0.436 7.305 ( -47.259 0.000 0.000) 47.259 7.394 ( -4.786 0.000 0.000) 4.786 7.537 ( -20.171 0.000 0.000) 20.171 7.740 ( 8.291 0.000 0.000) 8.291 7.957 ( 18.637 0.000 0.000) 18.637 8.053 ( 0.599 0.000 0.000) 0.599 8.071 ( 0.282 0.000 0.000) 0.282 8.581 ( -11.680 0.000 0.000) 11.680 8.692 ( -7.184 0.000 0.000) 7.184 8.760 ( -10.753 0.000 0.000) 10.753 8.869 ( 0.863 0.000 0.000) 0.863 8.955 ( -0.969 0.000 0.000) 0.969 9.023 ( 3.458 0.000 0.000) 3.458 9.156 ( -6.816 0.000 0.000) 6.816 10.039 ( 5.320 0.000 0.000) 5.320 10.122 ( -5.218 0.000 0.000) 5.218 10.421 ( 16.335 0.000 0.000) 16.335 10.718 ( 16.544 0.000 0.000) 16.544 10.949 ( 9.283 0.000 0.000) 9.283 10.999 ( -1.083 0.000 0.000) 1.083 11.221 ( 0.951 0.000 0.000) 0.951 11.241 ( 0.621 0.000 0.000) 0.621 11.439 ( -0.815 0.000 0.000) 0.815 11.445 ( -1.066 0.000 0.000) 1.066 11.642 ( 0.427 0.000 0.000) 0.427 11.814 ( -14.232 0.000 0.000) 14.232 12.126 ( -5.151 0.000 0.000) 5.151 12.168 ( 21.660 0.000 0.000) 21.660 12.359 ( -0.665 0.000 0.000) 0.665 12.440 ( 14.894 0.000 0.000) 14.894 12.444 ( 0.347 0.000 0.000) 0.347 12.456 ( 0.062 0.000 0.000) 0.062 12.519 ( 0.342 0.000 0.000) 0.342 12.556 ( -0.412 0.000 0.000) 0.412 12.968 ( -19.562 0.000 0.000) 19.562 13.755 ( -0.390 0.000 0.000) 0.390 14.180 ( -22.075 0.000 0.000) 22.075 14.922 ( 22.033 0.000 0.000) 22.033 16.276 ( -11.547 0.000 0.000) 11.547 17.800 ( 1.731 0.000 0.000) 1.731 18.017 ( -4.664 0.000 0.000) 4.664 18.314 ( 3.495 0.000 0.000) 3.495 18.448 ( -11.506 0.000 0.000) 11.506 18.988 ( 0.366 0.000 0.000) 0.366 19.020 ( -5.538 0.000 0.000) 5.538 19.353 ( 12.565 0.000 0.000) 12.565 19.444 ( 7.908 0.000 0.000) 7.908 21.044 ( 0.288 0.000 0.000) 0.288 21.074 ( -0.415 0.000 0.000) 0.415 21.076 ( 0.112 0.000 0.000) 0.112 21.083 ( 0.020 0.000 0.000) 0.020 28.443 ( -1.542 0.000 0.000) 1.542 28.488 ( -1.485 0.000 0.000) 1.485 28.568 ( 3.454 0.000 0.000) 3.454 28.703 ( -0.519 0.000 0.000) 0.519 36.308 ( 1.429 0.000 0.000) 1.429 36.402 ( -0.603 0.000 0.000) 0.603 39.388 ( -8.333 0.000 0.000) 8.333 39.399 ( -11.531 0.000 0.000) 11.531 40.634 ( 18.342 0.000 0.000) 18.342 41.590 ( -6.997 0.000 0.000) 6.997 42.332 ( 11.945 0.000 0.000) 11.945 43.042 ( -5.085 0.000 0.000) 5.085 ======================= Grid point 2 (3/81) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 34.956 0.000 0.000) 34.956 2.107 ( 45.361 0.000 0.000) 45.361 2.243 ( -33.755 0.000 0.000) 33.755 2.953 ( 3.443 0.000 0.000) 3.443 2.993 ( -36.030 0.000 0.000) 36.030 3.042 ( -4.598 0.000 0.000) 4.598 3.708 ( 24.717 0.000 0.000) 24.717 3.811 ( -5.762 0.000 0.000) 5.762 4.035 ( 52.156 0.000 0.000) 52.156 4.793 ( -1.204 0.000 0.000) 1.204 4.793 ( 20.562 0.000 0.000) 20.562 5.081 ( -8.117 0.000 0.000) 8.117 5.174 ( -14.519 0.000 0.000) 14.519 5.547 ( 5.966 0.000 0.000) 5.966 5.680 ( -6.259 0.000 0.000) 6.259 5.863 ( -75.024 0.000 0.000) 75.024 6.084 ( 14.254 0.000 0.000) 14.254 6.151 ( 5.151 0.000 0.000) 5.151 6.735 ( 21.081 0.000 0.000) 21.081 7.036 ( 6.719 0.000 0.000) 6.719 7.096 ( -0.567 0.000 0.000) 0.567 7.138 ( 1.629 0.000 0.000) 1.629 7.180 ( -18.697 0.000 0.000) 18.697 7.258 ( -7.470 0.000 0.000) 7.470 7.997 ( 14.869 0.000 0.000) 14.869 8.067 ( 0.566 0.000 0.000) 0.566 8.074 ( -0.056 0.000 0.000) 0.056 8.334 ( -15.129 0.000 0.000) 15.129 8.408 ( 16.490 0.000 0.000) 16.490 8.541 ( -4.729 0.000 0.000) 4.729 8.644 ( 6.456 0.000 0.000) 6.456 8.894 ( 1.451 0.000 0.000) 1.451 8.927 ( -1.516 0.000 0.000) 1.516 8.976 ( -11.965 0.000 0.000) 11.965 9.145 ( 9.056 0.000 0.000) 9.056 9.523 ( -27.173 0.000 0.000) 27.173 10.418 ( 11.824 0.000 0.000) 11.824 10.590 ( -2.748 0.000 0.000) 2.748 11.086 ( 8.048 0.000 0.000) 8.048 11.110 ( 15.711 0.000 0.000) 15.711 11.119 ( 9.094 0.000 0.000) 9.094 11.244 ( 0.979 0.000 0.000) 0.979 11.253 ( 0.208 0.000 0.000) 0.208 11.421 ( -0.604 0.000 0.000) 0.604 11.422 ( -0.772 0.000 0.000) 0.772 11.482 ( -16.648 0.000 0.000) 16.648 11.696 ( 5.202 0.000 0.000) 5.202 11.923 ( -13.165 0.000 0.000) 13.165 12.356 ( 4.061 0.000 0.000) 4.061 12.452 ( 0.329 0.000 0.000) 0.329 12.456 ( -0.081 0.000 0.000) 0.081 12.530 ( 0.619 0.000 0.000) 0.619 12.535 ( -12.535 0.000 0.000) 12.535 12.544 ( -0.661 0.000 0.000) 0.661 12.802 ( 27.961 0.000 0.000) 27.961 12.874 ( 17.548 0.000 0.000) 17.548 13.577 ( -14.534 0.000 0.000) 14.534 13.642 ( -24.216 0.000 0.000) 24.216 15.441 ( 24.810 0.000 0.000) 24.810 15.930 ( -20.216 0.000 0.000) 20.216 17.849 ( 2.810 0.000 0.000) 2.810 17.922 ( -4.061 0.000 0.000) 4.061 18.293 ( -2.320 0.000 0.000) 2.320 18.315 ( -2.512 0.000 0.000) 2.512 18.975 ( 0.579 0.000 0.000) 0.579 18.992 ( -0.312 0.000 0.000) 0.312 19.552 ( 5.211 0.000 0.000) 5.211 19.570 ( 3.153 0.000 0.000) 3.153 21.053 ( 0.480 0.000 0.000) 0.480 21.064 ( -0.521 0.000 0.000) 0.521 21.079 ( 0.166 0.000 0.000) 0.166 21.082 ( -0.122 0.000 0.000) 0.122 28.430 ( 0.312 0.000 0.000) 0.312 28.452 ( -1.587 0.000 0.000) 1.587 28.636 ( 2.762 0.000 0.000) 2.762 28.682 ( -1.542 0.000 0.000) 1.542 36.345 ( 1.862 0.000 0.000) 1.862 36.381 ( -1.356 0.000 0.000) 1.356 39.214 ( -4.502 0.000 0.000) 4.502 39.225 ( -5.185 0.000 0.000) 5.185 41.039 ( 18.108 0.000 0.000) 18.108 41.375 ( -13.080 0.000 0.000) 13.080 42.621 ( 13.705 0.000 0.000) 13.705 42.880 ( -10.068 0.000 0.000) 10.068 ======================= Grid point 5 (4/81) ======================= q-point: ( 0.00 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 0.000 33.716 0.000) 33.716 0.733 ( 0.000 37.605 0.000) 37.605 1.619 ( 0.000 79.222 0.000) 79.222 3.325 ( 0.000 40.051 0.000) 40.051 3.552 ( 0.000 34.606 0.000) 34.606 3.788 ( 0.000 31.571 0.000) 31.571 3.904 ( 0.000 0.205 0.000) 0.205 4.004 ( 0.000 5.357 0.000) 5.357 4.307 ( 0.000 20.248 0.000) 20.248 4.605 ( 0.000 2.252 0.000) 2.252 4.741 ( 0.000 1.006 0.000) 1.006 4.822 ( 0.000 5.935 0.000) 5.935 5.599 ( 0.000 18.750 0.000) 18.750 5.735 ( 0.000 19.528 0.000) 19.528 5.751 ( 0.000 -2.122 0.000) 2.122 5.887 ( 0.000 -0.293 0.000) 0.293 5.977 ( 0.000 -1.092 0.000) 1.092 6.253 ( 0.000 28.253 0.000) 28.253 7.045 ( 0.000 12.542 0.000) 12.542 7.251 ( 0.000 13.479 0.000) 13.479 7.322 ( 0.000 16.598 0.000) 16.598 7.457 ( 0.000 0.859 0.000) 0.859 7.671 ( 0.000 1.291 0.000) 1.291 7.730 ( 0.000 1.549 0.000) 1.549 7.802 ( 0.000 19.584 0.000) 19.584 7.955 ( 0.000 -0.101 0.000) 0.101 8.157 ( 0.000 8.318 0.000) 8.318 8.547 ( 0.000 4.562 0.000) 4.562 8.735 ( 0.000 -3.927 0.000) 3.927 8.763 ( 0.000 -5.293 0.000) 5.293 8.949 ( 0.000 -3.063 0.000) 3.063 9.030 ( 0.000 9.905 0.000) 9.905 9.033 ( 0.000 -5.337 0.000) 5.337 9.056 ( 0.000 2.081 0.000) 2.081 9.066 ( 0.000 8.345 0.000) 8.345 9.661 ( 0.000 -1.230 0.000) 1.230 10.158 ( 0.000 -2.189 0.000) 2.189 10.308 ( 0.000 -7.023 0.000) 7.023 10.311 ( 0.000 -12.638 0.000) 12.638 10.434 ( 0.000 -4.200 0.000) 4.200 10.755 ( 0.000 -1.127 0.000) 1.127 11.371 ( 0.000 10.748 0.000) 10.748 11.500 ( 0.000 4.345 0.000) 4.345 11.568 ( 0.000 1.826 0.000) 1.826 11.723 ( 0.000 10.665 0.000) 10.665 11.865 ( 0.000 -5.701 0.000) 5.701 11.958 ( 0.000 -6.602 0.000) 6.602 11.981 ( 0.000 -2.037 0.000) 2.037 12.067 ( 0.000 -0.248 0.000) 0.248 12.148 ( 0.000 -8.737 0.000) 8.737 12.278 ( 0.000 -5.388 0.000) 5.388 12.317 ( 0.000 3.630 0.000) 3.630 12.642 ( 0.000 13.605 0.000) 13.605 12.642 ( 0.000 7.020 0.000) 7.020 12.666 ( 0.000 9.455 0.000) 9.455 13.223 ( 0.000 -0.864 0.000) 0.864 13.668 ( 0.000 -2.180 0.000) 2.180 14.419 ( 0.000 -7.251 0.000) 7.251 14.510 ( 0.000 -8.194 0.000) 8.194 15.098 ( 0.000 2.433 0.000) 2.433 17.766 ( 0.000 -0.740 0.000) 0.740 18.080 ( 0.000 -1.194 0.000) 1.194 18.214 ( 0.000 -1.987 0.000) 1.987 18.592 ( 0.000 -4.633 0.000) 4.633 18.972 ( 0.000 -2.101 0.000) 2.101 19.048 ( 0.000 -5.758 0.000) 5.758 19.088 ( 0.000 -5.069 0.000) 5.069 19.276 ( 0.000 -2.577 0.000) 2.577 21.146 ( 0.000 10.042 0.000) 10.042 21.188 ( 0.000 10.720 0.000) 10.720 21.192 ( 0.000 10.539 0.000) 10.539 23.161 ( 0.000 -0.850 0.000) 0.850 28.411 ( 0.000 -1.263 0.000) 1.263 28.462 ( 0.000 -4.062 0.000) 4.062 28.465 ( 0.000 -2.030 0.000) 2.030 28.699 ( 0.000 -0.876 0.000) 0.876 36.267 ( 0.000 -2.397 0.000) 2.397 36.383 ( 0.000 -2.431 0.000) 2.431 38.227 ( 0.000 -5.200 0.000) 5.200 39.375 ( 0.000 -11.478 0.000) 11.478 40.323 ( 0.000 -6.281 0.000) 6.281 40.894 ( 0.000 -12.265 0.000) 12.265 41.534 ( 0.000 -12.909 0.000) 12.909 42.051 ( 0.000 -13.241 0.000) 13.241 ======================= Grid point 6 (5/81) ======================= q-point: ( 0.20 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 41.804 16.823 0.000) 45.062 1.467 ( 29.881 40.573 0.000) 50.389 2.321 ( 67.691 39.659 0.000) 78.453 3.292 ( -26.872 32.788 0.000) 42.393 3.342 ( -0.337 36.548 0.000) 36.550 3.517 ( -3.136 32.970 0.000) 33.119 3.744 ( -19.371 3.580 0.000) 19.699 4.041 ( -17.624 2.006 0.000) 17.737 4.044 ( -9.759 5.774 0.000) 11.339 4.552 ( 22.117 22.341 0.000) 31.437 4.845 ( 0.559 5.841 0.000) 5.868 5.370 ( 1.509 2.720 0.000) 3.110 5.492 ( 9.224 -0.859 0.000) 9.264 5.648 ( 4.352 19.653 0.000) 20.129 5.682 ( -5.046 16.135 0.000) 16.905 5.963 ( 6.473 -1.519 0.000) 6.649 6.027 ( 0.963 17.064 0.000) 17.092 6.397 ( 10.451 9.481 0.000) 14.110 7.088 ( 5.833 16.433 0.000) 17.438 7.170 ( -20.754 3.196 0.000) 20.999 7.335 ( 0.697 18.345 0.000) 18.359 7.356 ( -11.789 11.133 0.000) 16.215 7.492 ( -29.236 2.099 0.000) 29.312 7.694 ( -8.498 18.821 0.000) 20.650 7.718 ( 7.074 0.195 0.000) 7.077 7.942 ( 17.408 -0.907 0.000) 17.431 8.160 ( 0.558 8.033 0.000) 8.053 8.300 ( -9.296 14.785 0.000) 17.464 8.552 ( -8.394 -2.314 0.000) 8.707 8.652 ( -9.736 -3.149 0.000) 10.233 8.699 ( -5.217 -3.295 0.000) 6.170 8.992 ( -3.732 9.976 0.000) 10.651 8.995 ( -2.433 3.169 0.000) 3.995 9.083 ( 4.209 6.559 0.000) 7.793 9.130 ( -3.356 -1.608 0.000) 3.721 9.972 ( 8.915 -6.282 0.000) 10.906 10.075 ( -9.338 -4.195 0.000) 10.237 10.356 ( 12.604 -5.453 0.000) 13.733 10.624 ( 20.585 -7.371 0.000) 21.865 10.718 ( 13.987 -11.943 0.000) 18.392 10.879 ( 8.574 -4.826 0.000) 9.838 11.352 ( -2.467 6.195 0.000) 6.668 11.445 ( -5.802 6.702 0.000) 8.864 11.458 ( -3.121 -0.238 0.000) 3.131 11.585 ( -7.723 9.141 0.000) 11.967 11.722 ( -0.538 8.263 0.000) 8.281 11.804 ( -13.279 -0.934 0.000) 13.312 12.089 ( -5.839 -2.397 0.000) 6.312 12.163 ( 24.048 -0.764 0.000) 24.061 12.253 ( -1.509 -4.534 0.000) 4.779 12.325 ( 4.941 -9.117 0.000) 10.370 12.427 ( 7.084 -2.606 0.000) 7.548 12.640 ( 0.135 13.381 0.000) 13.381 12.649 ( 1.059 8.612 0.000) 8.677 12.663 ( -0.133 10.016 0.000) 10.017 13.037 ( -11.462 7.300 0.000) 13.589 13.703 ( -1.237 -4.469 0.000) 4.637 14.117 ( -20.621 -6.023 0.000) 21.483 14.815 ( 20.020 -9.965 0.000) 22.363 15.615 ( 17.343 -34.062 0.000) 38.223 17.788 ( 1.870 -0.930 0.000) 2.088 18.003 ( -4.698 -1.307 0.000) 4.876 18.288 ( 3.182 -2.473 0.000) 4.030 18.413 ( -10.607 -3.284 0.000) 11.104 18.953 ( -0.422 -2.729 0.000) 2.762 18.984 ( -5.061 -3.390 0.000) 6.091 19.256 ( 12.416 -7.405 0.000) 14.457 19.391 ( 6.662 -4.849 0.000) 8.240 21.152 ( 0.531 10.203 0.000) 10.217 21.189 ( -0.233 10.573 0.000) 10.576 21.201 ( 1.373 11.820 0.000) 11.900 21.991 ( -47.426 48.708 0.000) 67.983 28.418 ( -1.308 -2.523 0.000) 2.842 28.451 ( 0.303 -3.079 0.000) 3.094 28.531 ( 3.306 -3.461 0.000) 4.786 28.675 ( -1.291 -2.018 0.000) 2.396 36.283 ( 1.413 -2.416 0.000) 2.798 36.376 ( -0.615 -2.444 0.000) 2.520 39.084 ( 13.059 -27.253 0.000) 30.220 39.280 ( -7.609 -10.573 0.000) 13.026 40.419 ( 18.213 -17.294 0.000) 25.115 41.453 ( -7.337 -13.178 0.000) 15.083 41.887 ( 48.015 -60.074 0.000) 76.905 42.166 ( 9.296 -15.876 0.000) 18.398 ======================= Grid point 7 (6/81) ======================= q-point: ( 0.40 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 27.895 43.163 0.000) 51.392 2.186 ( 42.414 8.055 0.000) 43.172 2.671 ( -29.220 36.708 0.000) 46.918 3.033 ( -34.623 5.196 0.000) 35.011 3.382 ( 2.573 37.122 0.000) 37.211 3.447 ( -3.157 33.992 0.000) 34.138 3.766 ( 14.302 6.455 0.000) 15.692 3.851 ( -6.001 6.039 0.000) 8.514 4.110 ( 56.008 10.228 0.000) 56.934 4.812 ( -1.777 2.345 0.000) 2.942 5.028 ( 18.797 21.418 0.000) 28.497 5.108 ( -6.469 2.942 0.000) 7.107 5.392 ( -13.316 19.986 0.000) 24.016 5.732 ( -10.140 14.955 0.000) 18.069 5.940 ( -4.248 22.618 0.000) 23.013 5.958 ( -53.366 12.601 0.000) 54.834 6.021 ( 10.424 -3.160 0.000) 10.893 6.092 ( 3.360 -4.718 0.000) 5.793 6.722 ( 19.821 0.206 0.000) 19.822 7.123 ( -15.239 0.248 0.000) 15.241 7.259 ( 7.899 20.004 0.000) 21.507 7.320 ( -0.942 17.929 0.000) 17.954 7.350 ( 1.553 18.763 0.000) 18.827 7.494 ( -9.503 18.958 0.000) 21.206 7.968 ( 15.388 -2.034 0.000) 15.522 8.164 ( -0.195 6.941 0.000) 6.944 8.179 ( -2.333 7.778 0.000) 8.121 8.326 ( -16.592 -0.917 0.000) 16.617 8.383 ( 17.433 -1.427 0.000) 17.492 8.503 ( -1.787 -1.451 0.000) 2.302 8.641 ( 4.911 0.792 0.000) 4.974 8.944 ( -0.669 5.232 0.000) 5.274 8.948 ( -3.021 1.666 0.000) 3.449 8.974 ( -12.065 0.173 0.000) 12.066 9.227 ( 9.509 7.586 0.000) 12.164 9.556 ( -22.614 3.460 0.000) 22.877 10.303 ( 10.853 -9.652 0.000) 14.524 10.462 ( -2.987 -10.061 0.000) 10.495 11.004 ( 11.351 -5.247 0.000) 12.505 11.058 ( 7.876 -4.368 0.000) 9.006 11.078 ( 18.039 -2.931 0.000) 18.276 11.324 ( 1.081 2.699 0.000) 2.907 11.336 ( -4.644 4.675 0.000) 6.589 11.466 ( 3.098 1.985 0.000) 3.680 11.467 ( -11.033 0.457 0.000) 11.042 11.549 ( -4.986 7.565 0.000) 9.060 11.698 ( -0.408 2.516 0.000) 2.549 11.850 ( -14.047 -6.578 0.000) 15.511 12.247 ( 1.341 -4.749 0.000) 4.934 12.304 ( -3.445 -7.156 0.000) 7.942 12.588 ( 3.871 2.734 0.000) 4.739 12.615 ( 2.548 4.206 0.000) 4.918 12.652 ( 1.178 11.959 0.000) 12.017 12.680 ( -0.224 8.196 0.000) 8.199 12.807 ( 23.709 3.802 0.000) 24.012 12.968 ( 7.303 9.663 0.000) 12.113 13.531 ( -12.813 -3.776 0.000) 13.358 13.620 ( -22.233 -1.849 0.000) 22.310 15.273 ( 20.972 -15.162 0.000) 25.878 15.636 ( -11.030 -23.979 0.000) 26.394 17.838 ( 2.775 -1.035 0.000) 2.962 17.910 ( -3.963 -1.233 0.000) 4.151 18.269 ( -2.176 -2.295 0.000) 3.163 18.289 ( -2.297 -2.532 0.000) 3.419 18.939 ( 0.228 -3.301 0.000) 3.309 18.950 ( -0.262 -3.554 0.000) 3.564 19.458 ( 5.671 -8.152 0.000) 9.930 19.492 ( 2.101 -6.987 0.000) 7.296 21.166 ( 0.767 10.456 0.000) 10.484 21.181 ( -0.559 10.579 0.000) 10.594 21.257 ( 4.262 16.267 0.000) 16.816 21.423 ( -13.171 27.915 0.000) 30.866 28.409 ( 0.461 -2.073 0.000) 2.124 28.432 ( -1.383 -2.050 0.000) 2.473 28.597 ( 2.743 -3.614 0.000) 4.537 28.645 ( -1.733 -3.280 0.000) 3.710 36.320 ( 1.848 -2.449 0.000) 3.068 36.355 ( -1.359 -2.461 0.000) 2.811 39.098 ( -1.993 -11.289 0.000) 11.464 39.128 ( -5.048 -9.505 0.000) 10.762 40.860 ( 19.866 -16.887 0.000) 26.074 41.225 ( -14.022 -14.444 0.000) 20.130 42.366 ( 7.607 -23.404 0.000) 24.609 42.405 ( 6.653 -39.199 0.000) 39.760 ======================= Grid point 10 (7/81) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.000 35.252 0.000) 35.252 1.524 ( 0.000 40.752 0.000) 40.752 3.173 ( 0.000 74.366 0.000) 74.366 3.875 ( 0.000 1.481 0.000) 1.481 3.918 ( 0.000 1.318 0.000) 1.318 4.349 ( 0.000 34.310 0.000) 34.310 4.457 ( 0.000 50.420 0.000) 50.420 4.497 ( 0.000 31.485 0.000) 31.485 4.682 ( 0.000 5.529 0.000) 5.529 4.813 ( 0.000 11.968 0.000) 11.968 4.943 ( 0.000 38.250 0.000) 38.250 5.057 ( 0.000 19.532 0.000) 19.532 5.771 ( 0.000 4.563 0.000) 4.563 5.860 ( 0.000 3.920 0.000) 3.920 5.923 ( 0.000 0.071 0.000) 0.071 6.133 ( 0.000 27.283 0.000) 27.283 6.239 ( 0.000 22.252 0.000) 22.252 6.979 ( 0.000 41.889 0.000) 41.889 7.353 ( 0.000 18.161 0.000) 18.161 7.488 ( 0.000 2.502 0.000) 2.502 7.587 ( 0.000 17.829 0.000) 17.829 7.644 ( 0.000 8.631 0.000) 8.631 7.795 ( 0.000 11.763 0.000) 11.763 7.896 ( 0.000 19.540 0.000) 19.540 7.965 ( 0.000 1.414 0.000) 1.414 8.329 ( 0.000 30.430 0.000) 30.430 8.351 ( 0.000 8.120 0.000) 8.120 8.577 ( 0.000 -9.706 0.000) 9.706 8.644 ( 0.000 4.956 0.000) 4.956 8.676 ( 0.000 -1.550 0.000) 1.550 8.847 ( 0.000 -5.537 0.000) 5.537 9.018 ( 0.000 5.400 0.000) 5.400 9.121 ( 0.000 3.421 0.000) 3.421 9.268 ( 0.000 13.089 0.000) 13.089 9.320 ( 0.000 15.963 0.000) 15.963 9.647 ( 0.000 0.611 0.000) 0.611 10.069 ( 0.000 -9.409 0.000) 9.409 10.112 ( 0.000 -1.481 0.000) 1.481 10.147 ( 0.000 -8.390 0.000) 8.390 10.348 ( 0.000 -3.601 0.000) 3.601 10.723 ( 0.000 -2.301 0.000) 2.301 11.479 ( 0.000 -6.191 0.000) 6.191 11.524 ( 0.000 -2.523 0.000) 2.523 11.560 ( 0.000 -1.186 0.000) 1.186 11.721 ( 0.000 -4.582 0.000) 4.582 11.816 ( 0.000 -7.187 0.000) 7.187 11.936 ( 0.000 -2.296 0.000) 2.296 11.974 ( 0.000 -6.600 0.000) 6.600 12.059 ( 0.000 18.292 0.000) 18.292 12.064 ( 0.000 0.126 0.000) 0.126 12.279 ( 0.000 6.999 0.000) 6.999 12.319 ( 0.000 -4.831 0.000) 4.831 12.615 ( 0.000 -10.121 0.000) 10.121 12.886 ( 0.000 10.936 0.000) 10.936 12.963 ( 0.000 17.418 0.000) 17.418 13.353 ( 0.000 14.044 0.000) 14.044 13.639 ( 0.000 0.210 0.000) 0.210 14.217 ( 0.000 -12.224 0.000) 12.224 14.304 ( 0.000 -10.846 0.000) 10.846 15.160 ( 0.000 3.406 0.000) 3.406 17.744 ( 0.000 -1.398 0.000) 1.398 18.047 ( 0.000 -2.109 0.000) 2.109 18.156 ( 0.000 -3.815 0.000) 3.815 18.460 ( 0.000 -8.248 0.000) 8.248 18.901 ( 0.000 -8.262 0.000) 8.262 18.912 ( 0.000 -3.803 0.000) 3.803 18.956 ( 0.000 -7.523 0.000) 7.523 19.203 ( 0.000 -4.610 0.000) 4.610 21.422 ( 0.000 16.661 0.000) 16.661 21.475 ( 0.000 16.669 0.000) 16.669 21.475 ( 0.000 16.903 0.000) 16.903 23.137 ( 0.000 -1.573 0.000) 1.573 28.352 ( 0.000 -6.551 0.000) 6.551 28.377 ( 0.000 -1.987 0.000) 1.987 28.407 ( 0.000 -3.574 0.000) 3.574 28.673 ( 0.000 -1.760 0.000) 1.760 36.200 ( 0.000 -4.000 0.000) 4.000 36.315 ( 0.000 -4.096 0.000) 4.096 38.074 ( 0.000 -9.874 0.000) 9.874 39.051 ( 0.000 -20.116 0.000) 20.116 40.144 ( 0.000 -11.258 0.000) 11.258 40.553 ( 0.000 -20.703 0.000) 20.703 41.177 ( 0.000 -21.498 0.000) 21.498 41.678 ( 0.000 -22.902 0.000) 22.902 ======================= Grid point 11 (8/81) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 28.844 26.694 0.000) 39.301 2.111 ( 40.945 29.208 0.000) 50.295 3.471 ( 28.338 64.731 0.000) 70.663 3.721 ( -12.143 7.168 0.000) 14.101 3.764 ( -14.866 3.837 0.000) 15.353 4.052 ( -21.349 5.791 0.000) 22.120 4.260 ( -13.897 44.908 0.000) 47.009 4.470 ( 2.983 44.810 0.000) 44.909 4.509 ( -4.637 43.148 0.000) 43.397 4.894 ( 1.923 10.403 0.000) 10.580 5.235 ( 11.795 30.009 0.000) 32.244 5.432 ( 6.647 -1.440 0.000) 6.801 5.462 ( 5.985 6.393 0.000) 8.757 5.965 ( 6.725 5.975 0.000) 8.996 6.094 ( -5.655 17.115 0.000) 18.025 6.171 ( 4.222 28.536 0.000) 28.846 6.270 ( 14.519 11.064 0.000) 18.254 6.914 ( -7.420 37.934 0.000) 38.653 7.254 ( -29.068 6.807 0.000) 29.854 7.453 ( 11.261 18.447 0.000) 21.613 7.509 ( -21.592 1.667 0.000) 21.656 7.714 ( -1.956 19.776 0.000) 19.872 7.730 ( 4.440 12.568 0.000) 13.329 7.870 ( 2.677 20.516 0.000) 20.690 7.958 ( 11.752 5.020 0.000) 12.779 8.127 ( -11.009 14.801 0.000) 18.447 8.313 ( -3.442 8.248 0.000) 8.938 8.491 ( -10.230 5.812 0.000) 11.766 8.519 ( -4.414 -0.363 0.000) 4.429 8.679 ( -5.705 10.855 0.000) 12.263 8.680 ( 0.137 1.946 0.000) 1.951 9.056 ( -2.593 3.809 0.000) 4.608 9.136 ( 0.104 2.291 0.000) 2.293 9.239 ( -0.662 12.214 0.000) 12.232 9.307 ( -0.832 16.865 0.000) 16.885 9.827 ( 11.315 -6.629 0.000) 13.113 9.971 ( -10.063 -5.668 0.000) 11.549 10.256 ( 6.750 -3.272 0.000) 7.501 10.485 ( 25.845 -5.605 0.000) 26.446 10.538 ( 16.188 -6.888 0.000) 17.593 10.785 ( 5.651 -4.585 0.000) 7.277 11.285 ( -7.740 -8.213 0.000) 11.285 11.534 ( -2.634 0.694 0.000) 2.723 11.552 ( -1.091 4.362 0.000) 4.496 11.636 ( -9.863 -2.822 0.000) 10.259 11.770 ( -9.812 -2.389 0.000) 10.098 11.781 ( 0.727 -6.439 0.000) 6.480 12.012 ( -13.248 -7.521 0.000) 15.234 12.126 ( 7.358 -7.501 0.000) 10.507 12.157 ( 5.514 6.295 0.000) 8.368 12.345 ( 8.800 -5.152 0.000) 10.197 12.347 ( 10.044 11.179 0.000) 15.028 12.728 ( 6.470 -2.082 0.000) 6.797 12.874 ( -0.990 10.363 0.000) 10.410 12.971 ( 0.958 17.611 0.000) 17.637 13.286 ( -4.082 16.532 0.000) 17.028 13.629 ( -2.880 -1.293 0.000) 3.157 13.959 ( -16.358 -8.782 0.000) 18.566 14.565 ( 16.096 -13.506 0.000) 21.012 15.219 ( 2.731 -8.666 0.000) 9.086 17.763 ( 1.635 -1.595 0.000) 2.284 17.966 ( -4.811 -2.372 0.000) 5.364 18.217 ( 2.384 -4.475 0.000) 5.071 18.320 ( -8.551 -5.873 0.000) 10.374 18.879 ( -0.766 -4.644 0.000) 4.707 18.893 ( -3.546 -5.429 0.000) 6.485 19.081 ( 10.402 -9.388 0.000) 14.012 19.267 ( 4.004 -7.037 0.000) 8.096 21.430 ( 0.640 16.625 0.000) 16.637 21.472 ( -0.233 16.647 0.000) 16.649 21.512 ( 3.637 17.885 0.000) 18.251 22.620 ( -35.810 17.601 0.000) 39.902 28.340 ( -0.376 -5.162 0.000) 5.176 28.385 ( 0.128 -3.231 0.000) 3.233 28.445 ( 2.759 -4.647 0.000) 5.404 28.634 ( -2.853 -2.086 0.000) 3.534 36.216 ( 1.372 -4.028 0.000) 4.255 36.308 ( -0.636 -4.108 0.000) 4.157 38.530 ( 24.101 -25.083 0.000) 34.785 38.978 ( -5.888 -18.854 0.000) 19.752 40.078 ( 6.423 -15.985 0.000) 17.227 41.041 ( 31.381 -31.632 0.000) 44.557 41.089 ( -8.174 -21.934 0.000) 23.408 41.733 ( 4.039 -25.829 0.000) 26.143 ======================= Grid point 12 (9/81) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 35.714 16.127 0.000) 39.186 2.866 ( 26.142 32.486 0.000) 41.698 3.204 ( -29.342 11.983 0.000) 31.694 3.406 ( -18.266 27.058 0.000) 32.647 3.822 ( -2.477 5.081 0.000) 5.653 3.925 ( -12.650 19.725 0.000) 23.433 4.280 ( 27.012 38.117 0.000) 46.718 4.451 ( -1.737 49.221 0.000) 49.252 4.646 ( 21.082 43.101 0.000) 47.981 4.896 ( -1.639 6.983 0.000) 7.173 5.225 ( 3.009 10.376 0.000) 10.803 5.542 ( 13.751 24.964 0.000) 28.501 5.871 ( -3.018 21.006 0.000) 21.222 5.908 ( 3.208 -0.117 0.000) 3.211 6.023 ( -4.326 2.116 0.000) 4.816 6.056 ( -41.866 19.231 0.000) 46.071 6.459 ( -1.803 33.208 0.000) 33.257 6.583 ( 1.816 30.336 0.000) 30.391 6.803 ( 8.800 13.176 0.000) 15.845 7.155 ( -16.114 2.921 0.000) 16.377 7.724 ( 10.672 22.090 0.000) 24.533 7.775 ( 3.776 24.685 0.000) 24.972 7.831 ( 0.494 27.338 0.000) 27.342 7.920 ( -8.928 18.684 0.000) 20.708 7.934 ( 10.920 -0.276 0.000) 10.923 8.222 ( -7.803 -5.429 0.000) 9.506 8.254 ( 1.935 1.303 0.000) 2.333 8.299 ( -10.181 6.360 0.000) 12.004 8.410 ( 13.727 4.743 0.000) 14.523 8.631 ( -2.456 12.230 0.000) 12.475 8.711 ( 3.661 5.198 0.000) 6.358 8.946 ( -14.340 -0.686 0.000) 14.356 9.072 ( 1.206 11.011 0.000) 11.077 9.151 ( -5.091 16.168 0.000) 16.951 9.415 ( 8.660 10.120 0.000) 13.319 9.655 ( -14.068 5.433 0.000) 15.081 10.108 ( 11.347 -7.915 0.000) 13.834 10.280 ( -4.076 -6.361 0.000) 7.555 10.893 ( 13.436 -5.896 0.000) 14.672 10.946 ( 10.384 -6.849 0.000) 12.439 11.009 ( 16.913 -3.937 0.000) 17.365 11.234 ( 4.716 -9.165 0.000) 10.307 11.325 ( -15.530 -5.924 0.000) 16.622 11.511 ( -5.406 2.688 0.000) 6.037 11.524 ( -0.817 2.652 0.000) 2.775 11.565 ( -11.358 -8.050 0.000) 13.921 11.735 ( -5.611 -3.342 0.000) 6.531 11.741 ( -3.015 -2.506 0.000) 3.920 12.209 ( 1.104 1.686 0.000) 2.015 12.215 ( 1.222 -2.232 0.000) 2.544 12.566 ( 9.582 -3.521 0.000) 10.209 12.630 ( 7.572 0.212 0.000) 7.575 12.830 ( 3.098 4.081 0.000) 5.124 12.858 ( -0.091 7.552 0.000) 7.552 13.048 ( 8.735 16.940 0.000) 19.060 13.232 ( -2.366 15.682 0.000) 15.859 13.488 ( -7.398 1.231 0.000) 7.500 13.593 ( -15.273 -0.023 0.000) 15.273 14.919 ( 15.634 -17.605 0.000) 23.544 15.176 ( -7.428 -18.457 0.000) 19.895 17.808 ( 2.528 -1.962 0.000) 3.200 17.873 ( -3.716 -2.320 0.000) 4.381 18.202 ( -1.899 -4.344 0.000) 4.741 18.215 ( -1.814 -4.680 0.000) 5.019 18.856 ( -0.069 -4.624 0.000) 4.625 18.865 ( -0.576 -4.693 0.000) 4.729 19.263 ( 5.811 -10.556 0.000) 12.050 19.320 ( 0.286 -9.510 0.000) 9.514 21.447 ( 0.873 16.593 0.000) 16.616 21.463 ( -0.618 16.606 0.000) 16.617 21.649 ( 9.912 20.855 0.000) 23.091 21.978 ( -22.195 24.434 0.000) 33.009 28.346 ( 0.907 -4.161 0.000) 4.259 28.372 ( -1.195 -3.760 0.000) 3.946 28.508 ( 3.028 -4.715 0.000) 5.604 28.572 ( -2.922 -3.617 0.000) 4.649 36.252 ( 1.811 -4.084 0.000) 4.467 36.287 ( -1.359 -4.115 0.000) 4.334 38.777 ( 3.646 -19.780 0.000) 20.113 38.853 ( -4.802 -17.386 0.000) 18.037 40.428 ( 20.854 -23.751 0.000) 31.607 40.831 ( -15.877 -23.282 0.000) 28.180 41.592 ( 17.381 -38.278 0.000) 42.039 41.780 ( -1.573 -32.527 0.000) 32.565 ======================= Grid point 15 (10/81) ======================= q-point: ( 0.00 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 0.000 36.131 0.000) 36.131 2.369 ( 0.000 42.864 0.000) 42.864 3.835 ( 0.000 -2.646 0.000) 2.646 3.960 ( 0.000 2.882 0.000) 2.882 4.549 ( 0.000 -3.010 0.000) 3.010 4.582 ( 0.000 62.817 0.000) 62.817 4.834 ( 0.000 10.729 0.000) 10.729 4.927 ( 0.000 14.580 0.000) 14.580 5.447 ( 0.000 35.097 0.000) 35.097 5.460 ( 0.000 11.789 0.000) 11.789 5.471 ( 0.000 44.586 0.000) 44.586 5.735 ( 0.000 38.071 0.000) 38.071 5.957 ( 0.000 4.662 0.000) 4.662 5.972 ( 0.000 17.323 0.000) 17.323 6.122 ( 0.000 24.496 0.000) 24.496 6.545 ( 0.000 8.125 0.000) 8.125 6.677 ( 0.000 24.386 0.000) 24.386 7.559 ( 0.000 4.225 0.000) 4.225 7.764 ( 0.000 15.623 0.000) 15.623 7.794 ( 0.000 20.910 0.000) 20.910 7.827 ( 0.000 27.207 0.000) 27.207 7.889 ( 0.000 11.391 0.000) 11.391 8.016 ( 0.000 1.974 0.000) 1.974 8.086 ( 0.000 14.988 0.000) 14.988 8.291 ( 0.000 -7.611 0.000) 7.611 8.323 ( 0.000 23.409 0.000) 23.409 8.560 ( 0.000 3.887 0.000) 3.887 8.646 ( 0.000 -3.251 0.000) 3.251 8.769 ( 0.000 8.298 0.000) 8.298 8.851 ( 0.000 21.386 0.000) 21.386 9.051 ( 0.000 21.918 0.000) 21.918 9.218 ( 0.000 14.759 0.000) 14.759 9.248 ( 0.000 16.044 0.000) 16.044 9.532 ( 0.000 12.699 0.000) 12.699 9.618 ( 0.000 10.347 0.000) 10.347 9.701 ( 0.000 2.889 0.000) 2.889 9.992 ( 0.000 2.560 0.000) 2.560 10.021 ( 0.000 -0.142 0.000) 0.142 10.183 ( 0.000 11.692 0.000) 11.692 10.310 ( 0.000 0.238 0.000) 0.238 10.650 ( 0.000 -4.963 0.000) 4.963 11.182 ( 0.000 -17.755 0.000) 17.755 11.359 ( 0.000 -17.604 0.000) 17.604 11.524 ( 0.000 3.264 0.000) 3.264 11.673 ( 0.000 -6.868 0.000) 6.868 11.676 ( 0.000 -2.273 0.000) 2.273 11.886 ( 0.000 -2.479 0.000) 2.479 11.947 ( 0.000 1.417 0.000) 1.417 12.050 ( 0.000 -8.731 0.000) 8.731 12.129 ( 0.000 -6.238 0.000) 6.238 12.357 ( 0.000 -11.803 0.000) 11.803 12.394 ( 0.000 14.049 0.000) 14.049 12.500 ( 0.000 11.927 0.000) 11.927 13.051 ( 0.000 4.588 0.000) 4.588 13.309 ( 0.000 16.134 0.000) 16.134 13.687 ( 0.000 4.090 0.000) 4.090 13.689 ( 0.000 17.271 0.000) 17.271 13.958 ( 0.000 -12.462 0.000) 12.462 14.132 ( 0.000 -5.093 0.000) 5.093 15.218 ( 0.000 1.876 0.000) 1.876 17.709 ( 0.000 -2.030 0.000) 2.030 17.998 ( 0.000 -2.697 0.000) 2.697 18.063 ( 0.000 -5.228 0.000) 5.228 18.271 ( 0.000 -10.183 0.000) 10.183 18.733 ( 0.000 -8.044 0.000) 8.044 18.800 ( 0.000 -7.684 0.000) 7.684 18.823 ( 0.000 -4.872 0.000) 4.872 19.094 ( 0.000 -6.093 0.000) 6.093 21.787 ( 0.000 18.757 0.000) 18.757 21.833 ( 0.000 18.227 0.000) 18.227 21.836 ( 0.000 18.198 0.000) 18.198 23.100 ( 0.000 -2.018 0.000) 2.018 28.212 ( 0.000 -7.031 0.000) 7.031 28.325 ( 0.000 -4.526 0.000) 4.526 28.335 ( 0.000 -2.038 0.000) 2.038 28.629 ( 0.000 -2.602 0.000) 2.602 36.114 ( 0.000 -4.289 0.000) 4.289 36.226 ( 0.000 -4.453 0.000) 4.453 37.834 ( 0.000 -13.733 0.000) 13.733 38.591 ( 0.000 -24.791 0.000) 24.791 39.884 ( 0.000 -14.066 0.000) 14.066 40.098 ( 0.000 -23.479 0.000) 23.479 40.707 ( 0.000 -24.178 0.000) 24.178 41.164 ( 0.000 -27.248 0.000) 27.248 ======================= Grid point 16 (11/81) ======================= q-point: ( 0.20 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 19.129 31.222 0.000) 36.616 2.748 ( 30.862 34.298 0.000) 46.139 3.771 ( -4.711 0.685 0.000) 4.760 3.845 ( -11.026 5.061 0.000) 12.132 4.145 ( -21.064 4.871 0.000) 21.620 4.715 ( 10.508 47.869 0.000) 49.009 4.943 ( -4.091 18.066 0.000) 18.523 5.156 ( 18.726 20.011 0.000) 27.407 5.158 ( -22.206 21.328 0.000) 30.789 5.431 ( -2.649 33.243 0.000) 33.349 5.632 ( -10.392 15.072 0.000) 18.307 5.697 ( 6.690 21.024 0.000) 22.063 5.706 ( 16.181 30.811 0.000) 34.802 6.297 ( 10.842 8.201 0.000) 13.594 6.358 ( 4.671 31.652 0.000) 31.994 6.530 ( 2.623 10.366 0.000) 10.693 6.741 ( 10.320 26.157 0.000) 28.120 7.452 ( -10.938 9.598 0.000) 14.552 7.591 ( -30.073 10.430 0.000) 31.831 7.668 ( -6.278 27.445 0.000) 28.154 7.799 ( 1.803 15.882 0.000) 15.984 7.917 ( 2.862 9.230 0.000) 9.664 8.020 ( 2.585 2.280 0.000) 3.447 8.139 ( -4.343 1.617 0.000) 4.634 8.156 ( 8.043 15.193 0.000) 17.191 8.384 ( -9.989 -1.662 0.000) 10.126 8.385 ( 4.767 27.960 0.000) 28.364 8.746 ( -5.638 13.180 0.000) 14.335 8.748 ( 0.594 12.941 0.000) 12.955 8.774 ( -1.058 16.903 0.000) 16.936 9.018 ( -3.437 18.308 0.000) 18.628 9.170 ( -5.365 7.124 0.000) 8.919 9.330 ( 5.762 22.168 0.000) 22.905 9.448 ( -0.483 8.678 0.000) 8.691 9.710 ( 0.444 20.257 0.000) 20.262 9.743 ( 6.621 -2.470 0.000) 7.067 9.888 ( -2.959 0.667 0.000) 3.033 10.271 ( 2.966 5.809 0.000) 6.522 10.431 ( 24.764 1.272 0.000) 24.796 10.433 ( 13.926 -2.759 0.000) 14.196 10.679 ( 2.958 -6.328 0.000) 6.985 11.085 ( -5.481 -11.648 0.000) 12.873 11.359 ( -1.689 -18.734 0.000) 18.810 11.533 ( -11.439 -5.334 0.000) 12.622 11.570 ( 1.979 -2.027 0.000) 2.833 11.628 ( -3.993 -4.000 0.000) 5.652 11.698 ( -10.727 -6.977 0.000) 12.796 11.850 ( -13.125 -6.118 0.000) 14.481 12.042 ( 6.231 -2.039 0.000) 6.556 12.250 ( 11.119 -3.187 0.000) 11.567 12.344 ( -2.872 9.137 0.000) 9.578 12.592 ( 5.857 10.796 0.000) 12.282 12.604 ( 13.314 -7.853 0.000) 15.457 13.024 ( -2.519 4.146 0.000) 4.852 13.323 ( 1.528 16.500 0.000) 16.570 13.622 ( -3.216 12.544 0.000) 12.950 13.690 ( -2.596 9.428 0.000) 9.779 13.804 ( -9.234 -5.740 0.000) 10.873 14.328 ( 13.280 -8.787 0.000) 15.924 15.138 ( -7.247 -1.430 0.000) 7.387 17.723 ( 1.216 -2.335 0.000) 2.633 17.910 ( -4.999 -3.106 0.000) 5.885 18.113 ( 1.399 -5.743 0.000) 5.911 18.181 ( -5.841 -7.745 0.000) 9.700 18.766 ( 0.560 -6.491 0.000) 6.515 18.775 ( -1.489 -6.043 0.000) 6.224 18.900 ( 7.240 -8.150 0.000) 10.901 19.118 ( 1.477 -7.633 0.000) 7.774 21.792 ( 0.484 18.588 0.000) 18.594 21.830 ( -0.272 18.205 0.000) 18.207 21.885 ( 4.712 18.419 0.000) 19.012 22.839 ( -20.863 6.204 0.000) 21.766 28.220 ( 0.845 -6.368 0.000) 6.423 28.324 ( -1.097 -2.782 0.000) 2.990 28.351 ( 2.341 -4.663 0.000) 5.218 28.587 ( -3.450 -2.629 0.000) 4.338 36.130 ( 1.322 -4.316 0.000) 4.514 36.220 ( -0.640 -4.449 0.000) 4.494 38.072 ( 16.588 -21.119 0.000) 26.855 38.543 ( -4.057 -23.716 0.000) 24.061 39.762 ( 0.231 -15.492 0.000) 15.493 40.458 ( 21.915 -27.196 0.000) 34.927 40.612 ( -8.787 -24.339 0.000) 25.877 41.170 ( -0.097 -29.115 0.000) 29.115 ======================= Grid point 17 (12/81) ======================= q-point: ( 0.40 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 27.374 22.047 0.000) 35.148 3.356 ( -5.873 18.878 0.000) 19.770 3.521 ( 7.056 18.939 0.000) 20.210 3.686 ( -2.815 6.959 0.000) 7.507 3.919 ( 3.672 5.572 0.000) 6.673 4.421 ( -32.488 23.453 0.000) 40.068 4.901 ( 5.016 16.229 0.000) 16.987 4.976 ( -3.388 7.055 0.000) 7.826 5.465 ( 2.460 35.997 0.000) 36.081 5.478 ( 0.158 32.845 0.000) 32.845 5.688 ( 26.099 30.487 0.000) 40.132 5.852 ( 6.032 13.948 0.000) 15.196 6.007 ( 11.967 25.930 0.000) 28.558 6.286 ( -4.502 14.504 0.000) 15.187 6.291 ( -5.386 20.550 0.000) 21.244 6.635 ( -38.147 36.989 0.000) 53.136 6.848 ( 20.467 8.392 0.000) 22.121 7.158 ( 12.096 33.656 0.000) 35.764 7.239 ( -13.264 5.575 0.000) 14.388 7.469 ( -12.518 37.222 0.000) 39.270 7.882 ( 5.662 -2.194 0.000) 6.073 7.988 ( 4.727 1.704 0.000) 5.025 7.993 ( -4.078 -8.058 0.000) 9.031 8.128 ( -5.992 1.142 0.000) 6.100 8.230 ( 2.818 14.440 0.000) 14.713 8.316 ( 1.018 13.121 0.000) 13.160 8.511 ( 8.065 29.666 0.000) 30.743 8.672 ( 4.493 20.926 0.000) 21.402 8.676 ( -6.231 24.373 0.000) 25.156 8.829 ( 4.704 9.262 0.000) 10.388 8.897 ( -9.371 17.322 0.000) 19.695 8.973 ( -10.406 4.368 0.000) 11.286 9.446 ( 4.518 22.598 0.000) 23.046 9.482 ( 1.583 9.984 0.000) 10.109 9.676 ( -1.237 20.320 0.000) 20.358 9.725 ( -5.017 2.540 0.000) 5.623 10.056 ( 12.909 3.765 0.000) 13.447 10.251 ( -4.765 3.865 0.000) 6.135 10.768 ( 13.687 -6.280 0.000) 15.059 10.773 ( 9.494 -10.234 0.000) 13.960 10.909 ( 8.250 -6.532 0.000) 10.522 11.060 ( 9.423 -6.519 0.000) 11.458 11.089 ( -18.125 -17.154 0.000) 24.955 11.383 ( -10.719 -7.816 0.000) 13.266 11.531 ( -2.164 -1.981 0.000) 2.934 11.543 ( -2.435 -1.928 0.000) 3.105 11.576 ( -1.172 -9.277 0.000) 9.351 11.612 ( -6.903 -8.163 0.000) 10.690 12.187 ( 5.963 -0.727 0.000) 6.007 12.283 ( -3.244 3.746 0.000) 4.955 12.486 ( 10.512 -3.934 0.000) 11.224 12.647 ( -2.773 0.023 0.000) 2.773 12.833 ( 7.969 -1.817 0.000) 8.174 12.953 ( -3.934 3.150 0.000) 5.040 13.400 ( 6.344 16.897 0.000) 18.048 13.565 ( -6.071 16.310 0.000) 17.404 13.587 ( -1.998 7.198 0.000) 7.470 13.638 ( -5.482 4.018 0.000) 6.797 14.633 ( 14.556 -10.041 0.000) 17.683 14.925 ( -12.311 -7.322 0.000) 14.324 17.759 ( 2.103 -2.905 0.000) 3.586 17.817 ( -3.531 -3.199 0.000) 4.764 18.097 ( -1.492 -5.967 0.000) 6.151 18.105 ( -1.398 -6.100 0.000) 6.258 18.759 ( -0.022 -4.902 0.000) 4.902 18.764 ( -0.321 -5.218 0.000) 5.228 19.051 ( 5.698 -10.144 0.000) 11.635 19.125 ( -1.304 -9.541 0.000) 9.630 21.806 ( 0.757 18.359 0.000) 18.375 21.821 ( -0.598 18.216 0.000) 18.226 22.051 ( 11.227 18.353 0.000) 21.514 22.379 ( -19.550 15.606 0.000) 25.015 28.249 ( 1.784 -5.207 0.000) 5.504 28.290 ( -1.924 -4.052 0.000) 4.486 28.417 ( 3.664 -4.334 0.000) 5.675 28.502 ( -4.188 -3.363 0.000) 5.371 36.164 ( 1.757 -4.375 0.000) 4.714 36.198 ( -1.337 -4.425 0.000) 4.623 38.334 ( 7.257 -23.438 0.000) 24.536 38.446 ( -4.567 -22.427 0.000) 22.888 39.969 ( 16.634 -21.049 0.000) 26.828 40.341 ( -16.162 -24.155 0.000) 29.063 40.881 ( 16.141 -32.595 0.000) 36.372 41.116 ( -6.017 -32.427 0.000) 32.980 ======================= Grid point 20 (13/81) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 0.000 35.712 0.000) 35.712 3.235 ( 0.000 42.070 0.000) 42.070 3.803 ( 0.000 -0.140 0.000) 0.140 4.030 ( 0.000 3.760 0.000) 3.760 4.455 ( 0.000 -4.438 0.000) 4.438 5.016 ( 0.000 10.093 0.000) 10.093 5.145 ( 0.000 6.165 0.000) 6.165 5.618 ( 0.000 9.017 0.000) 9.017 5.625 ( 0.000 29.590 0.000) 29.590 5.920 ( 0.000 14.534 0.000) 14.534 6.183 ( 0.000 26.458 0.000) 26.458 6.275 ( 0.000 34.818 0.000) 34.818 6.342 ( 0.000 18.955 0.000) 18.955 6.471 ( 0.000 26.813 0.000) 26.813 6.581 ( 0.000 15.405 0.000) 15.405 6.659 ( 0.000 5.364 0.000) 5.364 7.067 ( 0.000 12.809 0.000) 12.809 7.641 ( 0.000 3.743 0.000) 3.743 7.876 ( 0.000 -11.302 0.000) 11.302 7.905 ( 0.000 0.133 0.000) 0.133 8.069 ( 0.000 13.384 0.000) 13.384 8.102 ( 0.000 1.317 0.000) 1.317 8.195 ( 0.000 6.306 0.000) 6.306 8.307 ( 0.000 12.234 0.000) 12.234 8.440 ( 0.000 19.360 0.000) 19.360 8.613 ( 0.000 1.766 0.000) 1.766 8.622 ( 0.000 3.466 0.000) 3.466 8.968 ( 0.000 30.324 0.000) 30.324 8.982 ( 0.000 11.627 0.000) 11.627 9.217 ( 0.000 7.796 0.000) 7.796 9.375 ( 0.000 25.246 0.000) 25.246 9.539 ( 0.000 2.006 0.000) 2.006 9.702 ( 0.000 10.602 0.000) 10.602 9.736 ( 0.000 4.562 0.000) 4.562 9.813 ( 0.000 18.123 0.000) 18.123 9.871 ( 0.000 35.616 0.000) 35.616 10.154 ( 0.000 11.089 0.000) 11.089 10.320 ( 0.000 26.691 0.000) 26.691 10.347 ( 0.000 1.717 0.000) 1.717 10.559 ( 0.000 -1.014 0.000) 1.014 10.593 ( 0.000 25.785 0.000) 25.785 10.866 ( 0.000 -12.523 0.000) 12.523 10.958 ( 0.000 -18.369 0.000) 18.369 11.552 ( 0.000 -4.742 0.000) 4.742 11.624 ( 0.000 -2.550 0.000) 2.550 11.645 ( 0.000 -24.202 0.000) 24.202 11.658 ( 0.000 9.629 0.000) 9.629 11.790 ( 0.000 -7.340 0.000) 7.340 11.960 ( 0.000 1.575 0.000) 1.575 12.185 ( 0.000 6.422 0.000) 6.422 12.267 ( 0.000 2.495 0.000) 2.495 12.592 ( 0.000 5.049 0.000) 5.049 12.663 ( 0.000 2.895 0.000) 2.895 13.088 ( 0.000 0.530 0.000) 0.530 13.589 ( 0.000 11.172 0.000) 11.172 13.765 ( 0.000 -5.646 0.000) 5.646 13.769 ( 0.000 3.117 0.000) 3.117 14.001 ( 0.000 12.975 0.000) 12.975 14.100 ( 0.000 0.754 0.000) 0.754 15.216 ( 0.000 -2.469 0.000) 2.469 17.662 ( 0.000 -2.696 0.000) 2.696 17.939 ( 0.000 -3.082 0.000) 3.082 17.950 ( 0.000 -5.824 0.000) 5.824 18.062 ( 0.000 -10.323 0.000) 10.323 18.586 ( 0.000 -6.414 0.000) 6.414 18.655 ( 0.000 -6.576 0.000) 6.576 18.720 ( 0.000 -5.268 0.000) 5.268 18.960 ( 0.000 -7.116 0.000) 7.116 22.153 ( 0.000 17.085 0.000) 17.085 22.186 ( 0.000 16.084 0.000) 16.084 22.188 ( 0.000 16.513 0.000) 16.513 23.058 ( 0.000 -2.060 0.000) 2.060 28.078 ( 0.000 -6.069 0.000) 6.069 28.228 ( 0.000 -5.019 0.000) 5.019 28.298 ( 0.000 -1.605 0.000) 1.605 28.569 ( 0.000 -3.279 0.000) 3.279 36.037 ( 0.000 -3.143 0.000) 3.143 36.146 ( 0.000 -3.292 0.000) 3.292 37.527 ( 0.000 -16.530 0.000) 16.530 38.075 ( 0.000 -25.926 0.000) 25.926 39.593 ( 0.000 -14.487 0.000) 14.487 39.641 ( 0.000 -21.113 0.000) 21.113 40.235 ( 0.000 -22.031 0.000) 22.031 40.614 ( 0.000 -26.565 0.000) 26.565 ======================= Grid point 21 (14/81) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 12.387 32.454 0.000) 34.738 3.477 ( 20.868 36.948 0.000) 42.434 3.793 ( -0.452 1.970 0.000) 2.021 3.960 ( -6.299 6.259 0.000) 8.880 4.228 ( -16.147 3.385 0.000) 16.498 5.045 ( 0.077 2.966 0.000) 2.967 5.135 ( -1.794 3.910 0.000) 4.302 5.509 ( -21.314 12.587 0.000) 24.753 5.691 ( 6.003 18.507 0.000) 19.457 5.780 ( -12.051 12.993 0.000) 17.721 6.118 ( 14.635 24.529 0.000) 28.564 6.275 ( 4.626 25.133 0.000) 25.555 6.357 ( 8.790 33.658 0.000) 34.787 6.580 ( 4.139 20.821 0.000) 21.229 6.709 ( 9.816 11.808 0.000) 15.355 6.921 ( -10.653 17.557 0.000) 20.536 7.184 ( 29.266 17.554 0.000) 34.127 7.549 ( -8.309 2.391 0.000) 8.646 7.838 ( -3.664 -7.827 0.000) 8.642 7.869 ( -2.142 -3.771 0.000) 4.337 7.973 ( -5.496 12.842 0.000) 13.969 8.035 ( -12.953 19.238 0.000) 23.192 8.191 ( -4.847 2.867 0.000) 5.632 8.225 ( -0.680 10.102 0.000) 10.125 8.404 ( -4.895 4.109 0.000) 6.391 8.512 ( 5.587 16.985 0.000) 17.880 8.883 ( 11.092 2.350 0.000) 11.338 8.908 ( -4.094 11.402 0.000) 12.115 9.043 ( 4.157 28.849 0.000) 29.147 9.205 ( -1.654 6.384 0.000) 6.595 9.340 ( -2.206 28.715 0.000) 28.799 9.515 ( -4.623 15.764 0.000) 16.428 9.625 ( -2.456 10.398 0.000) 10.684 9.642 ( -1.519 2.948 0.000) 3.316 9.946 ( 5.755 31.067 0.000) 31.596 10.020 ( 9.003 10.657 0.000) 13.951 10.137 ( 2.252 21.086 0.000) 21.206 10.385 ( 3.314 1.758 0.000) 3.752 10.524 ( 7.531 -1.278 0.000) 7.638 10.585 ( 7.336 8.355 0.000) 11.119 10.595 ( 0.765 20.382 0.000) 20.396 10.851 ( -0.077 -9.531 0.000) 9.531 10.922 ( -4.803 -19.907 0.000) 20.478 11.410 ( -10.998 -9.788 0.000) 14.723 11.471 ( -7.686 -10.590 0.000) 13.085 11.522 ( -7.018 -2.362 0.000) 7.405 11.657 ( -1.951 6.436 0.000) 6.725 11.748 ( -6.895 -3.954 0.000) 7.948 12.035 ( 6.026 1.249 0.000) 6.154 12.243 ( 7.490 2.691 0.000) 7.959 12.468 ( -6.998 2.927 0.000) 7.586 12.507 ( 15.368 -0.692 0.000) 15.383 12.698 ( -1.163 -0.935 0.000) 1.492 13.096 ( -0.052 4.425 0.000) 4.425 13.612 ( 2.354 11.680 0.000) 11.915 13.728 ( -2.038 -2.277 0.000) 3.056 13.751 ( -1.526 3.835 0.000) 4.127 13.965 ( -3.382 12.611 0.000) 13.057 14.228 ( 10.542 -1.859 0.000) 10.705 15.104 ( -10.015 -2.945 0.000) 10.439 17.669 ( 0.658 -3.036 0.000) 3.106 17.843 ( -5.040 -3.481 0.000) 6.126 17.992 ( 0.387 -6.077 0.000) 6.089 18.015 ( -3.222 -8.503 0.000) 9.093 18.631 ( 2.518 -6.435 0.000) 6.910 18.656 ( 0.198 -5.618 0.000) 5.622 18.755 ( 3.765 -6.436 0.000) 7.456 18.962 ( -0.079 -7.776 0.000) 7.776 22.155 ( 0.270 16.938 0.000) 16.940 22.185 ( -0.276 16.516 0.000) 16.519 22.233 ( 4.330 15.699 0.000) 16.285 22.917 ( -11.906 2.173 0.000) 12.102 28.097 ( 1.723 -5.643 0.000) 5.900 28.255 ( 2.539 -4.834 0.000) 5.460 28.274 ( -2.114 -2.087 0.000) 2.971 28.528 ( -3.591 -3.248 0.000) 4.842 36.052 ( 1.286 -3.153 0.000) 3.406 36.139 ( -0.616 -3.274 0.000) 3.331 37.657 ( 10.060 -20.277 0.000) 22.635 38.044 ( -2.680 -25.223 0.000) 25.365 39.458 ( -0.855 -14.400 0.000) 14.425 39.943 ( 16.451 -23.528 0.000) 28.709 40.142 ( -8.525 -21.721 0.000) 23.334 40.592 ( -2.308 -27.479 0.000) 27.576 ======================= Grid point 22 (15/81) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( 19.088 24.847 0.000) 31.333 3.705 ( -16.584 16.177 0.000) 23.167 3.808 ( 2.301 5.820 0.000) 6.259 3.893 ( -3.161 13.681 0.000) 14.042 4.111 ( 25.495 17.428 0.000) 30.883 4.808 ( -35.244 16.125 0.000) 38.757 5.030 ( -0.072 1.153 0.000) 1.156 5.069 ( -3.405 2.349 0.000) 4.136 5.812 ( 4.736 11.305 0.000) 12.257 5.821 ( 4.437 11.773 0.000) 12.581 6.364 ( 4.343 20.757 0.000) 21.206 6.365 ( 2.758 20.559 0.000) 20.744 6.514 ( 3.696 20.517 0.000) 20.847 6.657 ( -11.002 18.758 0.000) 21.747 6.766 ( 20.415 27.172 0.000) 33.986 7.093 ( 21.860 23.259 0.000) 31.919 7.255 ( -20.188 7.963 0.000) 21.702 7.558 ( -21.349 37.793 0.000) 43.406 7.747 ( 21.456 22.275 0.000) 30.928 7.817 ( -1.919 -7.544 0.000) 7.784 7.824 ( -2.086 -2.126 0.000) 2.979 7.942 ( 3.462 1.106 0.000) 3.635 8.078 ( -7.247 -4.783 0.000) 8.683 8.104 ( -11.033 18.079 0.000) 21.180 8.432 ( 5.811 6.534 0.000) 8.744 8.557 ( -3.543 10.763 0.000) 11.331 8.909 ( 5.864 9.512 0.000) 11.174 9.032 ( 0.168 10.652 0.000) 10.653 9.108 ( 1.813 23.440 0.000) 23.510 9.134 ( -3.021 9.597 0.000) 10.062 9.333 ( 1.348 32.026 0.000) 32.054 9.392 ( -4.746 26.230 0.000) 26.656 9.615 ( 0.658 6.766 0.000) 6.798 9.633 ( -0.618 2.182 0.000) 2.268 10.073 ( 4.803 25.943 0.000) 26.384 10.118 ( 0.745 17.680 0.000) 17.696 10.266 ( 9.166 17.990 0.000) 20.190 10.420 ( -2.270 11.522 0.000) 11.744 10.560 ( 1.414 -9.636 0.000) 9.740 10.631 ( -0.844 -10.926 0.000) 10.958 10.738 ( 0.863 -9.238 0.000) 9.278 10.744 ( -6.058 -8.180 0.000) 10.179 10.998 ( 13.318 0.347 0.000) 13.322 11.253 ( -9.117 -4.532 0.000) 10.182 11.338 ( -0.630 -10.482 0.000) 10.500 11.383 ( -4.652 -4.945 0.000) 6.790 11.586 ( -3.557 4.245 0.000) 5.538 11.591 ( -5.364 3.117 0.000) 6.204 12.183 ( 7.212 0.453 0.000) 7.226 12.328 ( -6.399 1.021 0.000) 6.480 12.425 ( 8.775 -1.535 0.000) 8.908 12.601 ( -7.147 -3.825 0.000) 8.106 12.820 ( 12.970 0.961 0.000) 13.006 13.034 ( -6.538 4.732 0.000) 8.071 13.683 ( 2.334 7.818 0.000) 8.159 13.715 ( -1.596 4.633 0.000) 4.900 13.729 ( 4.039 6.943 0.000) 8.032 13.860 ( -6.260 12.111 0.000) 13.633 14.504 ( 14.617 -3.842 0.000) 15.114 14.826 ( -14.951 -3.814 0.000) 15.430 17.692 ( 1.698 -3.562 0.000) 3.946 17.748 ( -3.595 -3.572 0.000) 5.068 17.967 ( -0.842 -6.743 0.000) 6.796 17.976 ( -1.240 -6.545 0.000) 6.661 18.660 ( 0.487 -5.050 0.000) 5.073 18.662 ( 0.198 -4.722 0.000) 4.726 18.861 ( 5.022 -8.596 0.000) 9.955 18.941 ( -2.258 -8.704 0.000) 8.992 22.164 ( 0.553 16.737 0.000) 16.746 22.176 ( -0.504 16.574 0.000) 16.582 22.376 ( 9.280 13.877 0.000) 16.694 22.626 ( -13.695 9.378 0.000) 16.598 28.148 ( 2.952 -4.583 0.000) 5.451 28.216 ( -3.177 -3.258 0.000) 4.551 28.331 ( 4.356 -4.268 0.000) 6.098 28.433 ( -4.929 -3.571 0.000) 6.087 36.086 ( 1.707 -3.184 0.000) 3.612 36.119 ( -1.293 -3.229 0.000) 3.478 37.855 ( 7.246 -23.711 0.000) 24.794 37.970 ( -4.152 -24.229 0.000) 24.583 39.589 ( 12.005 -16.593 0.000) 20.480 39.890 ( -14.286 -20.156 0.000) 24.706 40.272 ( 13.460 -27.690 0.000) 30.788 40.495 ( -7.275 -28.748 0.000) 29.655 ======================= Grid point 25 (16/81) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 0.000 33.269 0.000) 33.269 3.838 ( 0.000 3.687 0.000) 3.687 3.933 ( 0.000 18.845 0.000) 18.845 4.097 ( 0.000 2.495 0.000) 2.495 4.522 ( 0.000 19.631 0.000) 19.631 5.175 ( 0.000 -1.685 0.000) 1.685 5.202 ( 0.000 8.191 0.000) 8.191 5.883 ( 0.000 15.871 0.000) 15.871 5.991 ( 0.000 15.760 0.000) 15.760 6.126 ( 0.000 6.164 0.000) 6.164 6.467 ( 0.000 0.021 0.000) 0.021 6.601 ( 0.000 11.124 0.000) 11.124 6.733 ( 0.000 1.862 0.000) 1.862 6.806 ( 0.000 9.566 0.000) 9.566 6.936 ( 0.000 19.856 0.000) 19.856 7.168 ( 0.000 -0.883 0.000) 0.883 7.178 ( 0.000 45.766 0.000) 45.766 7.604 ( 0.000 -15.073 0.000) 15.073 7.711 ( 0.000 3.216 0.000) 3.216 7.842 ( 0.000 -3.999 0.000) 3.999 7.982 ( 0.000 -9.337 0.000) 9.337 8.204 ( 0.000 -4.250 0.000) 4.250 8.378 ( 0.000 12.917 0.000) 12.917 8.474 ( 0.000 -0.815 0.000) 0.815 8.676 ( 0.000 2.243 0.000) 2.243 8.692 ( 0.000 5.138 0.000) 5.138 8.828 ( 0.000 12.693 0.000) 12.693 9.187 ( 0.000 8.452 0.000) 8.452 9.321 ( 0.000 6.680 0.000) 6.680 9.467 ( 0.000 0.366 0.000) 0.366 9.489 ( 0.000 19.039 0.000) 19.039 9.688 ( 0.000 3.600 0.000) 3.600 9.846 ( 0.000 4.342 0.000) 4.342 10.136 ( 0.000 26.351 0.000) 26.351 10.146 ( 0.000 -6.691 0.000) 6.691 10.203 ( 0.000 -4.099 0.000) 4.099 10.370 ( 0.000 16.926 0.000) 16.926 10.509 ( 0.000 24.718 0.000) 24.718 10.689 ( 0.000 -5.184 0.000) 5.184 10.845 ( 0.000 27.912 0.000) 27.912 10.883 ( 0.000 12.883 0.000) 12.883 10.946 ( 0.000 33.036 0.000) 33.036 11.059 ( 0.000 11.186 0.000) 11.186 11.155 ( 0.000 -17.543 0.000) 17.543 11.576 ( 0.000 10.138 0.000) 10.138 11.583 ( 0.000 -1.306 0.000) 1.306 11.701 ( 0.000 1.662 0.000) 1.662 11.889 ( 0.000 12.588 0.000) 12.588 12.079 ( 0.000 11.471 0.000) 11.471 12.361 ( 0.000 5.386 0.000) 5.386 12.376 ( 0.000 12.844 0.000) 12.844 12.624 ( 0.000 -5.084 0.000) 5.084 12.626 ( 0.000 0.167 0.000) 0.167 13.105 ( 0.000 0.831 0.000) 0.831 13.727 ( 0.000 0.695 0.000) 0.695 13.747 ( 0.000 4.199 0.000) 4.199 13.785 ( 0.000 -2.074 0.000) 2.074 14.104 ( 0.000 -1.456 0.000) 1.456 14.193 ( 0.000 5.682 0.000) 5.682 15.103 ( 0.000 -9.081 0.000) 9.081 17.602 ( 0.000 -3.091 0.000) 3.091 17.836 ( 0.000 -5.259 0.000) 5.259 17.864 ( 0.000 -9.069 0.000) 9.069 17.874 ( 0.000 -3.365 0.000) 3.365 18.478 ( 0.000 -4.283 0.000) 4.283 18.539 ( 0.000 -4.864 0.000) 4.864 18.615 ( 0.000 -5.065 0.000) 5.065 18.811 ( 0.000 -7.530 0.000) 7.530 22.461 ( 0.000 13.143 0.000) 13.143 22.473 ( 0.000 12.240 0.000) 12.240 22.486 ( 0.000 12.924 0.000) 12.924 23.019 ( 0.000 -1.738 0.000) 1.738 27.972 ( 0.000 -4.391 0.000) 4.391 28.125 ( 0.000 -5.089 0.000) 5.089 28.273 ( 0.000 -0.888 0.000) 0.888 28.499 ( 0.000 -3.633 0.000) 3.633 35.996 ( 0.000 -0.762 0.000) 0.762 36.103 ( 0.000 -0.721 0.000) 0.721 37.179 ( 0.000 -17.697 0.000) 17.697 37.564 ( 0.000 -24.436 0.000) 24.436 39.267 ( 0.000 -15.718 0.000) 15.718 39.314 ( 0.000 -12.855 0.000) 12.855 39.837 ( 0.000 -17.106 0.000) 17.106 40.117 ( 0.000 -22.253 0.000) 22.253 ======================= Grid point 26 (17/81) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 7.240 30.654 0.000) 31.498 3.859 ( 2.100 4.690 0.000) 5.139 4.003 ( 2.833 6.681 0.000) 7.257 4.141 ( 4.448 7.601 0.000) 8.807 4.439 ( -4.422 29.637 0.000) 29.965 5.123 ( -5.189 5.666 0.000) 7.683 5.145 ( -2.922 -1.511 0.000) 3.290 5.726 ( -22.258 8.942 0.000) 23.987 6.017 ( 2.924 16.429 0.000) 16.688 6.069 ( -6.055 16.521 0.000) 17.595 6.310 ( 12.889 2.677 0.000) 13.165 6.593 ( -1.502 6.401 0.000) 6.575 6.806 ( 0.109 7.789 0.000) 7.790 6.981 ( 4.148 21.832 0.000) 22.222 7.069 ( -1.255 0.099 0.000) 1.259 7.348 ( 14.610 40.754 0.000) 43.294 7.363 ( 27.187 -1.018 0.000) 27.206 7.528 ( -7.159 -5.915 0.000) 9.286 7.692 ( 0.621 -2.259 0.000) 2.342 7.772 ( -3.406 -4.600 0.000) 5.723 7.985 ( -0.737 -9.185 0.000) 9.214 8.239 ( -7.067 9.284 0.000) 11.667 8.291 ( 1.055 -0.300 0.000) 1.097 8.448 ( -0.283 3.627 0.000) 3.638 8.681 ( -9.233 20.296 0.000) 22.298 8.713 ( 2.033 3.056 0.000) 3.670 8.865 ( 10.857 -3.856 0.000) 11.521 9.138 ( -3.174 10.811 0.000) 11.267 9.382 ( -3.617 10.824 0.000) 11.413 9.443 ( 6.330 10.916 0.000) 12.618 9.592 ( 4.750 7.410 0.000) 8.802 9.681 ( 0.923 1.600 0.000) 1.847 9.814 ( -1.521 5.092 0.000) 5.314 10.008 ( -7.671 18.601 0.000) 20.121 10.174 ( 0.496 -11.078 0.000) 11.089 10.294 ( 3.928 0.044 0.000) 3.928 10.348 ( -1.707 10.200 0.000) 10.342 10.534 ( 2.032 16.427 0.000) 16.552 10.651 ( -3.181 7.352 0.000) 8.010 10.842 ( -3.007 13.545 0.000) 13.875 10.852 ( 1.952 27.754 0.000) 27.823 10.991 ( -4.769 7.638 0.000) 9.005 11.000 ( 2.482 23.513 0.000) 23.644 11.175 ( 2.887 -2.790 0.000) 4.015 11.465 ( -8.292 11.551 0.000) 14.219 11.486 ( -6.444 -0.653 0.000) 6.477 11.742 ( 0.962 4.890 0.000) 4.984 11.861 ( -3.394 13.129 0.000) 13.560 12.119 ( 3.694 8.333 0.000) 9.115 12.358 ( 3.097 8.182 0.000) 8.748 12.486 ( -6.871 -0.068 0.000) 6.871 12.563 ( 12.678 5.894 0.000) 13.981 12.632 ( -2.871 -3.135 0.000) 4.251 13.174 ( 2.896 2.098 0.000) 3.576 13.697 ( -1.408 -1.240 0.000) 1.876 13.777 ( -0.786 -1.690 0.000) 1.864 13.780 ( 3.259 4.862 0.000) 5.853 14.151 ( -3.837 5.429 0.000) 6.648 14.199 ( 8.173 -2.306 0.000) 8.492 14.993 ( -9.768 -8.539 0.000) 12.975 17.604 ( 0.216 -3.287 0.000) 3.294 17.772 ( -4.473 -3.422 0.000) 5.632 17.847 ( -1.180 -7.915 0.000) 8.003 17.875 ( -0.788 -5.432 0.000) 5.489 18.518 ( 2.946 -4.659 0.000) 5.512 18.553 ( 1.079 -4.530 0.000) 4.656 18.635 ( 2.065 -5.524 0.000) 5.897 18.806 ( -0.620 -7.637 0.000) 7.662 22.460 ( 0.166 13.086 0.000) 13.087 22.483 ( -0.258 12.928 0.000) 12.930 22.509 ( 3.187 11.632 0.000) 12.060 22.943 ( -6.599 0.644 0.000) 6.630 27.998 ( 2.409 -4.055 0.000) 4.717 28.157 ( 2.937 -4.867 0.000) 5.685 28.241 ( -2.837 -1.209 0.000) 3.084 28.458 ( -3.628 -3.623 0.000) 5.127 36.011 ( 1.295 -0.735 0.000) 1.489 36.097 ( -0.582 -0.703 0.000) 0.913 37.254 ( 6.109 -19.624 0.000) 20.553 37.544 ( -1.809 -24.027 0.000) 24.095 39.194 ( 0.200 -11.555 0.000) 11.556 39.519 ( 11.964 -18.396 0.000) 21.944 39.754 ( -7.559 -16.528 0.000) 18.174 40.083 ( -3.291 -22.661 0.000) 22.899 ======================= Grid point 27 (18/81) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( 10.881 23.485 0.000) 25.883 3.929 ( 4.464 6.229 0.000) 7.664 3.980 ( -4.467 9.227 0.000) 10.252 4.075 ( -9.310 8.294 0.000) 12.469 4.617 ( 19.375 29.327 0.000) 35.149 5.041 ( -9.927 2.992 0.000) 10.368 5.053 ( -0.542 3.041 0.000) 3.089 5.175 ( -20.570 14.172 0.000) 24.979 6.100 ( 3.685 15.556 0.000) 15.987 6.104 ( 3.459 17.446 0.000) 17.786 6.490 ( 2.063 2.785 0.000) 3.465 6.527 ( -3.513 1.124 0.000) 3.688 6.869 ( 6.669 1.076 0.000) 6.755 6.996 ( -4.300 5.783 0.000) 7.206 7.101 ( 7.270 19.043 0.000) 20.384 7.303 ( -10.913 4.173 0.000) 11.684 7.692 ( 12.924 20.002 0.000) 23.814 7.731 ( 3.752 -1.866 0.000) 4.191 7.774 ( 3.399 -2.107 0.000) 3.999 7.897 ( -0.771 -5.440 0.000) 5.494 7.942 ( 13.575 -3.358 0.000) 13.984 8.085 ( -2.197 17.233 0.000) 17.373 8.268 ( -4.814 -0.591 0.000) 4.850 8.357 ( -13.379 27.734 0.000) 30.792 8.560 ( 5.334 6.663 0.000) 8.535 8.706 ( -4.881 2.458 0.000) 5.465 9.133 ( 11.878 -2.645 0.000) 12.169 9.139 ( 4.376 13.032 0.000) 13.747 9.303 ( -3.294 12.077 0.000) 12.518 9.426 ( -7.350 8.083 0.000) 10.925 9.679 ( 3.455 6.404 0.000) 7.277 9.739 ( 0.313 1.842 0.000) 1.868 9.769 ( -1.419 6.386 0.000) 6.541 9.847 ( -6.640 11.795 0.000) 13.535 10.230 ( 8.672 -7.588 0.000) 11.523 10.336 ( 0.432 -0.967 0.000) 1.059 10.339 ( 0.451 -1.994 0.000) 2.044 10.470 ( -9.786 -5.115 0.000) 11.042 10.673 ( 6.322 26.289 0.000) 27.038 10.792 ( -2.621 20.490 0.000) 20.657 10.869 ( -1.383 23.730 0.000) 23.770 10.887 ( -4.455 12.067 0.000) 12.863 11.061 ( 5.414 6.886 0.000) 8.759 11.199 ( -4.931 1.721 0.000) 5.223 11.350 ( 1.736 14.091 0.000) 14.198 11.407 ( -1.638 8.001 0.000) 8.167 11.724 ( -1.249 10.979 0.000) 11.049 11.757 ( -4.717 13.267 0.000) 14.080 12.228 ( 6.078 4.792 0.000) 7.740 12.357 ( -5.743 2.917 0.000) 6.441 12.447 ( 4.495 4.137 0.000) 6.109 12.544 ( -4.615 -0.829 0.000) 4.689 12.863 ( 14.204 3.004 0.000) 14.518 13.117 ( -8.344 2.942 0.000) 8.848 13.707 ( 1.902 -2.434 0.000) 3.089 13.749 ( -1.756 -1.524 0.000) 2.326 13.889 ( 6.618 5.362 0.000) 8.518 14.037 ( -6.582 5.150 0.000) 8.357 14.428 ( 12.898 -4.692 0.000) 13.725 14.725 ( -14.184 -7.009 0.000) 15.821 17.620 ( 1.599 -3.416 0.000) 3.772 17.679 ( -3.830 -3.164 0.000) 4.968 17.832 ( -0.014 -6.462 0.000) 6.462 17.848 ( -1.312 -6.045 0.000) 6.185 18.565 ( 1.146 -4.284 0.000) 4.435 18.571 ( 0.416 -4.166 0.000) 4.187 18.704 ( 3.920 -6.998 0.000) 8.021 18.775 ( -2.427 -7.667 0.000) 8.042 22.467 ( 0.415 13.026 0.000) 13.032 22.476 ( -0.420 12.956 0.000) 12.963 22.611 ( 6.346 9.473 0.000) 11.402 22.773 ( -8.448 5.487 0.000) 10.074 28.069 ( 4.057 -3.172 0.000) 5.149 28.161 ( -4.316 -2.078 0.000) 4.790 28.244 ( 4.973 -4.335 0.000) 6.597 28.358 ( -5.372 -3.823 0.000) 6.593 36.045 ( 1.700 -0.688 0.000) 1.834 36.077 ( -1.259 -0.677 0.000) 1.430 37.390 ( 5.775 -22.201 0.000) 22.940 37.488 ( -3.492 -23.264 0.000) 23.525 39.300 ( 9.187 -12.013 0.000) 15.123 39.538 ( -11.774 -14.627 0.000) 18.777 39.772 ( 11.027 -21.833 0.000) 24.459 39.970 ( -7.353 -23.050 0.000) 24.195 ======================= Grid point 30 (19/81) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 0.000 7.419 0.000) 7.419 4.021 ( 0.000 -1.612 0.000) 1.612 4.115 ( 0.000 -0.811 0.000) 0.811 4.116 ( 0.000 24.722 0.000) 24.722 5.149 ( 0.000 1.352 0.000) 1.352 5.221 ( 0.000 40.833 0.000) 40.833 5.362 ( 0.000 8.363 0.000) 8.363 6.160 ( 0.000 8.613 0.000) 8.613 6.169 ( 0.000 -1.451 0.000) 1.451 6.375 ( 0.000 22.480 0.000) 22.480 6.376 ( 0.000 -6.827 0.000) 6.827 6.668 ( 0.000 -6.283 0.000) 6.283 6.783 ( 0.000 6.997 0.000) 6.997 7.039 ( 0.000 13.072 0.000) 13.072 7.116 ( 0.000 -2.958 0.000) 2.958 7.316 ( 0.000 -11.502 0.000) 11.502 7.316 ( 0.000 18.486 0.000) 18.486 7.772 ( 0.000 -3.020 0.000) 3.020 7.784 ( 0.000 4.375 0.000) 4.375 7.803 ( 0.000 -7.641 0.000) 7.641 7.895 ( 0.000 7.839 0.000) 7.839 8.111 ( 0.000 10.105 0.000) 10.105 8.378 ( 0.000 -7.654 0.000) 7.654 8.447 ( 0.000 -8.150 0.000) 8.150 8.670 ( 0.000 -2.307 0.000) 2.307 8.704 ( 0.000 -1.652 0.000) 1.652 8.870 ( 0.000 -6.030 0.000) 6.030 9.325 ( 0.000 4.968 0.000) 4.968 9.352 ( 0.000 -2.218 0.000) 2.218 9.547 ( 0.000 -11.751 0.000) 11.751 9.613 ( 0.000 9.890 0.000) 9.890 9.811 ( 0.000 -7.916 0.000) 7.916 9.891 ( 0.000 16.488 0.000) 16.488 9.978 ( 0.000 -6.088 0.000) 6.088 10.111 ( 0.000 -1.563 0.000) 1.563 10.622 ( 0.000 1.723 0.000) 1.723 10.696 ( 0.000 13.061 0.000) 13.061 10.733 ( 0.000 27.854 0.000) 27.854 10.828 ( 0.000 -6.855 0.000) 6.855 10.932 ( 0.000 17.578 0.000) 17.578 11.145 ( 0.000 5.872 0.000) 5.872 11.198 ( 0.000 0.378 0.000) 0.378 11.419 ( 0.000 25.065 0.000) 25.065 11.521 ( 0.000 11.033 0.000) 11.033 11.622 ( 0.000 15.545 0.000) 15.545 11.944 ( 0.000 20.208 0.000) 20.208 11.955 ( 0.000 22.772 0.000) 22.772 12.131 ( 0.000 10.239 0.000) 10.239 12.457 ( 0.000 4.761 0.000) 4.761 12.470 ( 0.000 26.625 0.000) 26.625 12.552 ( 0.000 0.544 0.000) 0.544 12.667 ( 0.000 4.880 0.000) 4.880 12.719 ( 0.000 21.316 0.000) 21.316 13.118 ( 0.000 1.207 0.000) 1.207 13.672 ( 0.000 -9.218 0.000) 9.218 13.732 ( 0.000 -1.297 0.000) 1.297 13.758 ( 0.000 -3.006 0.000) 3.006 14.014 ( 0.000 -7.706 0.000) 7.706 14.221 ( 0.000 -2.980 0.000) 2.980 14.843 ( 0.000 -16.804 0.000) 16.804 17.544 ( 0.000 -2.552 0.000) 2.552 17.701 ( 0.000 -7.033 0.000) 7.033 17.746 ( 0.000 -3.552 0.000) 3.552 17.805 ( 0.000 -3.403 0.000) 3.403 18.412 ( 0.000 -2.222 0.000) 2.222 18.461 ( 0.000 -2.740 0.000) 2.740 18.519 ( 0.000 -4.320 0.000) 4.320 18.663 ( 0.000 -6.984 0.000) 6.984 22.677 ( 0.000 7.988 0.000) 7.988 22.678 ( 0.000 8.417 0.000) 8.417 22.705 ( 0.000 8.782 0.000) 8.782 22.988 ( 0.000 -1.373 0.000) 1.373 27.903 ( 0.000 -2.409 0.000) 2.409 28.026 ( 0.000 -4.608 0.000) 4.608 28.264 ( 0.000 0.021 0.000) 0.021 28.426 ( 0.000 -3.549 0.000) 3.549 36.012 ( 0.000 2.506 0.000) 2.506 36.124 ( 0.000 2.957 0.000) 2.957 36.828 ( 0.000 -16.764 0.000) 16.764 37.101 ( 0.000 -21.183 0.000) 21.183 39.012 ( 0.000 -9.559 0.000) 9.559 39.084 ( 0.000 -9.776 0.000) 9.776 39.553 ( 0.000 -11.038 0.000) 11.038 39.730 ( 0.000 -15.945 0.000) 15.945 ======================= Grid point 31 (20/81) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( 2.737 7.351 0.000) 7.844 4.043 ( 2.106 -0.137 0.000) 2.110 4.143 ( 2.327 21.955 0.000) 22.078 4.174 ( 3.912 -0.941 0.000) 4.024 5.139 ( -0.973 3.065 0.000) 3.215 5.196 ( -2.703 35.437 0.000) 35.540 5.295 ( -3.284 15.271 0.000) 15.620 5.884 ( -17.700 7.516 0.000) 19.230 6.263 ( 6.263 -2.998 0.000) 6.943 6.416 ( 4.549 19.213 0.000) 19.744 6.422 ( 2.241 14.965 0.000) 15.131 6.583 ( -4.335 -4.504 0.000) 6.251 6.935 ( 0.699 -11.901 0.000) 11.921 6.990 ( -4.575 10.863 0.000) 11.787 7.229 ( 16.121 -9.141 0.000) 18.532 7.354 ( 2.003 15.292 0.000) 15.423 7.414 ( 6.992 -4.771 0.000) 8.465 7.666 ( -2.849 -3.055 0.000) 4.177 7.704 ( -5.217 2.241 0.000) 5.678 7.848 ( 3.170 -3.024 0.000) 4.381 8.044 ( 3.896 20.015 0.000) 20.391 8.109 ( 1.836 -12.124 0.000) 12.262 8.409 ( -4.371 2.801 0.000) 5.191 8.422 ( 2.520 -5.867 0.000) 6.385 8.695 ( 3.097 -2.214 0.000) 3.807 8.746 ( 7.528 -6.478 0.000) 9.932 8.866 ( -0.504 -0.810 0.000) 0.954 9.246 ( -4.733 -4.421 0.000) 6.477 9.499 ( 8.153 -2.955 0.000) 8.672 9.594 ( 3.668 -0.836 0.000) 3.762 9.610 ( -0.197 10.439 0.000) 10.440 9.790 ( -0.620 -8.082 0.000) 8.106 9.869 ( -1.949 14.910 0.000) 15.037 9.959 ( -0.961 -5.217 0.000) 5.305 10.083 ( -3.347 -2.250 0.000) 4.033 10.532 ( -9.952 1.472 0.000) 10.060 10.542 ( -7.426 7.164 0.000) 10.318 10.625 ( -4.484 20.925 0.000) 21.400 10.952 ( 3.407 1.954 0.000) 3.928 11.029 ( 4.839 17.675 0.000) 18.326 11.093 ( 1.642 2.718 0.000) 3.176 11.318 ( 5.957 8.327 0.000) 10.239 11.356 ( -8.411 11.906 0.000) 14.578 11.474 ( -5.864 22.294 0.000) 23.053 11.587 ( 4.497 14.807 0.000) 15.475 11.862 ( -5.126 21.267 0.000) 21.876 12.018 ( 3.344 22.206 0.000) 22.456 12.168 ( 0.738 16.765 0.000) 16.782 12.422 ( -2.656 22.559 0.000) 22.714 12.508 ( 4.150 5.056 0.000) 6.541 12.522 ( -1.289 5.452 0.000) 5.603 12.637 ( -2.806 4.273 0.000) 5.112 12.790 ( 5.685 17.874 0.000) 18.756 13.166 ( 2.755 -2.294 0.000) 3.585 13.653 ( -5.138 -3.723 0.000) 6.345 13.674 ( -0.140 -8.426 0.000) 8.427 13.806 ( 4.286 -2.235 0.000) 4.834 14.103 ( 6.906 -7.537 0.000) 10.223 14.175 ( -4.124 -3.166 0.000) 5.199 14.747 ( -8.395 -15.939 0.000) 18.015 17.543 ( 0.167 -2.479 0.000) 2.484 17.702 ( 0.149 -6.407 0.000) 6.408 17.710 ( -3.317 -2.655 0.000) 4.249 17.777 ( -2.012 -4.174 0.000) 4.633 18.444 ( 2.511 -2.702 0.000) 3.689 18.477 ( 1.206 -2.848 0.000) 3.093 18.533 ( 1.336 -4.510 0.000) 4.704 18.659 ( -0.520 -6.839 0.000) 6.858 22.677 ( 0.222 8.456 0.000) 8.459 22.701 ( 1.960 7.434 0.000) 7.688 22.702 ( -0.281 8.743 0.000) 8.748 22.949 ( -3.474 -0.035 0.000) 3.474 27.935 ( 2.948 -2.156 0.000) 3.652 28.062 ( 3.285 -4.448 0.000) 5.529 28.227 ( -3.318 -0.181 0.000) 3.323 28.385 ( -3.675 -3.566 0.000) 5.120 36.028 ( 1.391 2.597 0.000) 2.946 36.118 ( -0.570 2.955 0.000) 3.009 36.874 ( 3.926 -17.752 0.000) 18.181 37.088 ( -1.277 -20.945 0.000) 20.984 39.002 ( 1.710 -7.355 0.000) 7.551 39.204 ( 8.346 -12.853 0.000) 15.325 39.481 ( -6.404 -10.436 0.000) 12.244 39.690 ( -3.743 -16.183 0.000) 16.610 ======================= Grid point 32 (21/81) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.051 ( 3.149 6.159 0.000) 6.917 4.083 ( 0.658 2.951 0.000) 3.023 4.198 ( 2.317 14.276 0.000) 14.463 4.224 ( 0.281 4.360 0.000) 4.369 5.115 ( -0.851 7.675 0.000) 7.722 5.126 ( -2.315 15.067 0.000) 15.244 5.319 ( 5.821 29.481 0.000) 30.051 5.536 ( -13.922 20.237 0.000) 24.564 6.364 ( 3.712 3.426 0.000) 5.052 6.440 ( -2.703 6.015 0.000) 6.594 6.550 ( 3.161 9.272 0.000) 9.796 6.554 ( 5.599 7.521 0.000) 9.376 6.860 ( -5.690 3.488 0.000) 6.674 6.863 ( -4.567 -10.895 0.000) 11.814 7.392 ( 2.770 7.232 0.000) 7.744 7.470 ( -2.641 2.257 0.000) 3.474 7.598 ( 10.374 -6.864 0.000) 12.439 7.679 ( 1.136 -2.555 0.000) 2.796 7.726 ( 11.924 -12.221 0.000) 17.074 7.908 ( 2.415 4.447 0.000) 5.061 7.962 ( -6.643 7.804 0.000) 10.249 8.049 ( -10.626 -14.209 0.000) 17.743 8.441 ( 5.637 1.208 0.000) 5.765 8.470 ( 1.976 -6.686 0.000) 6.971 8.768 ( 1.810 9.211 0.000) 9.387 8.822 ( -2.882 9.144 0.000) 9.588 8.979 ( 12.195 -10.653 0.000) 16.193 9.182 ( -3.966 -13.114 0.000) 13.700 9.581 ( -0.647 10.933 0.000) 10.952 9.604 ( -0.749 13.573 0.000) 13.593 9.639 ( 7.591 -2.227 0.000) 7.911 9.825 ( -1.728 7.928 0.000) 8.114 9.830 ( -0.039 -0.043 0.000) 0.058 9.908 ( -13.085 -0.431 0.000) 13.092 10.063 ( 12.136 -7.059 0.000) 14.040 10.309 ( -9.821 -4.906 0.000) 10.978 10.455 ( -0.506 8.557 0.000) 8.572 10.519 ( -5.539 13.040 0.000) 14.167 10.972 ( 1.140 1.672 0.000) 2.023 11.049 ( -4.973 3.603 0.000) 6.141 11.159 ( 1.666 11.681 0.000) 11.799 11.167 ( -1.869 17.817 0.000) 17.914 11.421 ( 3.352 13.677 0.000) 14.082 11.453 ( 0.054 20.955 0.000) 20.955 11.677 ( 3.598 16.983 0.000) 17.360 11.753 ( -4.277 21.218 0.000) 21.645 12.083 ( 2.544 24.537 0.000) 24.668 12.136 ( -2.630 23.888 0.000) 24.032 12.411 ( 2.037 14.295 0.000) 14.439 12.487 ( -3.542 10.596 0.000) 11.172 12.583 ( 1.816 8.035 0.000) 8.237 12.591 ( -0.206 5.777 0.000) 5.781 12.952 ( 9.308 6.988 0.000) 11.639 13.139 ( -6.313 -0.749 0.000) 6.357 13.601 ( 1.075 -7.696 0.000) 7.771 13.651 ( -2.199 -7.990 0.000) 8.287 13.924 ( 6.331 -1.829 0.000) 6.590 14.061 ( -6.194 -2.855 0.000) 6.820 14.284 ( 10.015 -10.043 0.000) 14.183 14.522 ( -11.719 -13.511 0.000) 17.885 17.562 ( 1.837 -2.188 0.000) 2.857 17.625 ( -3.911 -2.029 0.000) 4.406 17.711 ( 0.791 -5.429 0.000) 5.486 17.737 ( -1.608 -4.838 0.000) 5.098 18.490 ( 1.293 -3.052 0.000) 3.315 18.498 ( 0.447 -3.006 0.000) 3.039 18.579 ( 2.800 -5.397 0.000) 6.080 18.633 ( -1.963 -6.337 0.000) 6.634 22.684 ( 0.417 8.555 0.000) 8.566 22.694 ( -0.437 8.651 0.000) 8.662 22.763 ( 3.783 5.708 0.000) 6.848 22.856 ( -4.726 2.928 0.000) 5.559 28.022 ( 4.920 -1.508 0.000) 5.145 28.133 ( -5.147 -0.747 0.000) 5.200 28.158 ( 5.445 -4.073 0.000) 6.800 28.281 ( -5.676 -3.722 0.000) 6.788 36.065 ( 1.795 2.780 0.000) 3.309 36.098 ( -1.288 2.913 0.000) 3.185 36.968 ( 4.323 -19.383 0.000) 19.859 37.045 ( -2.779 -20.369 0.000) 20.557 39.106 ( 7.738 -7.182 0.000) 10.557 39.302 ( -9.665 -8.821 0.000) 13.085 39.396 ( 9.064 -15.409 0.000) 17.877 39.572 ( -7.124 -16.356 0.000) 17.840 ======================= Grid point 35 (22/81) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( 0.000 -0.356 0.000) 0.356 4.072 ( 0.000 -3.029 0.000) 3.029 4.127 ( 0.000 9.632 0.000) 9.632 4.401 ( 0.000 2.615 0.000) 2.615 5.344 ( 0.000 19.025 0.000) 19.025 5.554 ( 0.000 10.606 0.000) 10.606 5.888 ( 0.000 9.200 0.000) 9.200 6.211 ( 0.000 -0.973 0.000) 0.973 6.227 ( 0.000 -9.295 0.000) 9.295 6.234 ( 0.000 23.584 0.000) 23.584 6.373 ( 0.000 -18.449 0.000) 18.449 6.883 ( 0.000 27.326 0.000) 27.326 7.041 ( 0.000 9.403 0.000) 9.403 7.100 ( 0.000 8.479 0.000) 8.479 7.163 ( 0.000 -4.904 0.000) 4.904 7.299 ( 0.000 10.226 0.000) 10.226 7.588 ( 0.000 -22.178 0.000) 22.178 7.664 ( 0.000 -7.474 0.000) 7.474 7.666 ( 0.000 9.813 0.000) 9.813 7.711 ( 0.000 1.022 0.000) 1.022 7.887 ( 0.000 5.633 0.000) 5.633 8.094 ( 0.000 -22.500 0.000) 22.500 8.190 ( 0.000 -10.154 0.000) 10.154 8.335 ( 0.000 -4.753 0.000) 4.753 8.616 ( 0.000 -2.246 0.000) 2.246 8.715 ( 0.000 -7.454 0.000) 7.454 8.805 ( 0.000 14.231 0.000) 14.231 9.268 ( 0.000 -5.850 0.000) 5.850 9.348 ( 0.000 -7.613 0.000) 7.613 9.349 ( 0.000 -3.198 0.000) 3.198 9.681 ( 0.000 -0.674 0.000) 0.674 9.770 ( 0.000 5.750 0.000) 5.750 9.870 ( 0.000 -5.090 0.000) 5.090 9.946 ( 0.000 -3.765 0.000) 3.765 10.308 ( 0.000 13.358 0.000) 13.358 10.607 ( 0.000 -2.180 0.000) 2.180 10.822 ( 0.000 4.427 0.000) 4.427 10.915 ( 0.000 8.365 0.000) 8.365 11.134 ( 0.000 -4.406 0.000) 4.406 11.176 ( 0.000 -2.254 0.000) 2.254 11.216 ( 0.000 10.587 0.000) 10.587 11.271 ( 0.000 18.035 0.000) 18.035 11.611 ( 0.000 9.433 0.000) 9.433 11.785 ( 0.000 11.416 0.000) 11.416 11.919 ( 0.000 5.921 0.000) 5.921 12.218 ( 0.000 -4.092 0.000) 4.092 12.269 ( 0.000 11.748 0.000) 11.748 12.420 ( 0.000 12.823 0.000) 12.823 12.561 ( 0.000 13.988 0.000) 13.988 12.733 ( 0.000 16.371 0.000) 16.371 12.836 ( 0.000 11.498 0.000) 11.498 13.114 ( 0.000 33.763 0.000) 33.763 13.198 ( 0.000 24.114 0.000) 24.114 13.208 ( 0.000 8.340 0.000) 8.340 13.413 ( 0.000 -16.076 0.000) 16.076 13.620 ( 0.000 -9.369 0.000) 9.369 13.670 ( 0.000 -5.357 0.000) 5.357 13.800 ( 0.000 -12.851 0.000) 12.851 14.074 ( 0.000 -11.265 0.000) 11.265 14.427 ( 0.000 -24.139 0.000) 24.139 17.508 ( 0.000 -0.761 0.000) 0.761 17.584 ( 0.000 -4.580 0.000) 4.580 17.698 ( 0.000 -1.151 0.000) 1.151 17.741 ( 0.000 -2.790 0.000) 2.790 18.387 ( 0.000 -0.345 0.000) 0.345 18.431 ( 0.000 -0.173 0.000) 0.173 18.444 ( 0.000 -3.069 0.000) 3.069 18.537 ( 0.000 -5.273 0.000) 5.273 22.797 ( 0.000 3.972 0.000) 3.972 22.801 ( 0.000 3.893 0.000) 3.893 22.844 ( 0.000 5.152 0.000) 5.152 22.961 ( 0.000 -1.505 0.000) 1.505 27.875 ( 0.000 -0.302 0.000) 0.302 27.944 ( 0.000 -3.467 0.000) 3.467 28.274 ( 0.000 1.064 0.000) 1.064 28.359 ( 0.000 -3.010 0.000) 3.010 36.101 ( 0.000 6.313 0.000) 6.313 36.227 ( 0.000 7.365 0.000) 7.365 36.515 ( 0.000 -14.035 0.000) 14.035 36.716 ( 0.000 -16.889 0.000) 16.889 38.878 ( 0.000 -3.827 0.000) 3.827 38.926 ( 0.000 -5.809 0.000) 5.809 39.394 ( 0.000 -4.612 0.000) 4.612 39.478 ( 0.000 -8.957 0.000) 8.957 ======================= Grid point 36 (23/81) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( 4.052 0.507 0.000) 4.084 4.131 ( 4.803 -2.990 0.000) 5.658 4.147 ( 1.628 8.727 0.000) 8.878 4.388 ( -1.331 2.122 0.000) 2.505 5.362 ( 1.465 19.266 0.000) 19.322 5.511 ( -3.280 13.319 0.000) 13.717 5.934 ( 3.263 14.507 0.000) 14.870 6.052 ( -5.814 9.413 0.000) 11.064 6.206 ( -1.930 14.245 0.000) 14.375 6.292 ( -0.772 -18.969 0.000) 18.984 6.522 ( 10.858 -11.358 0.000) 15.713 6.869 ( -1.766 23.504 0.000) 23.571 6.898 ( -6.113 7.970 0.000) 10.044 7.085 ( 0.903 -4.329 0.000) 4.422 7.218 ( -6.901 9.174 0.000) 11.480 7.350 ( 9.847 2.324 0.000) 10.118 7.420 ( -7.885 -11.169 0.000) 13.672 7.671 ( -1.418 -3.583 0.000) 3.853 7.757 ( 5.680 -2.088 0.000) 6.052 7.840 ( -1.361 4.376 0.000) 4.583 7.874 ( 7.607 0.610 0.000) 7.631 8.066 ( -1.117 -14.296 0.000) 14.339 8.233 ( 2.354 -11.760 0.000) 11.993 8.345 ( -2.593 -8.758 0.000) 9.133 8.647 ( 4.027 -2.323 0.000) 4.649 8.767 ( 2.099 7.452 0.000) 7.742 8.776 ( 4.519 -6.141 0.000) 7.625 9.075 ( -10.768 -8.536 0.000) 13.741 9.473 ( 13.886 0.081 0.000) 13.886 9.616 ( 11.963 -2.770 0.000) 12.280 9.657 ( -1.051 1.733 0.000) 2.026 9.765 ( -0.336 5.419 0.000) 5.430 9.879 ( 0.260 -4.098 0.000) 4.106 9.935 ( -1.213 -3.669 0.000) 3.864 10.235 ( -6.808 12.083 0.000) 13.869 10.511 ( -9.201 -2.224 0.000) 9.466 10.689 ( -5.469 7.998 0.000) 9.689 10.970 ( -1.739 -2.358 0.000) 2.930 11.027 ( -11.013 15.066 0.000) 18.662 11.160 ( 9.277 5.207 0.000) 10.638 11.258 ( -6.531 3.428 0.000) 7.376 11.362 ( 9.936 -2.337 0.000) 10.207 11.535 ( -4.233 11.946 0.000) 12.674 11.781 ( -6.060 4.404 0.000) 7.492 11.916 ( 8.776 17.592 0.000) 19.660 12.251 ( -2.114 15.118 0.000) 15.265 12.417 ( 10.539 2.270 0.000) 10.781 12.430 ( 1.336 13.785 0.000) 13.850 12.593 ( 3.341 8.154 0.000) 8.812 12.755 ( 2.551 16.637 0.000) 16.831 12.812 ( -1.985 12.921 0.000) 13.073 12.974 ( -8.420 25.487 0.000) 26.842 13.143 ( -4.188 2.072 0.000) 4.673 13.228 ( 0.256 22.639 0.000) 22.640 13.474 ( 3.242 -6.839 0.000) 7.569 13.530 ( -7.167 -8.889 0.000) 11.419 13.712 ( 5.286 -5.740 0.000) 7.803 13.899 ( 5.848 -12.065 0.000) 13.407 14.022 ( -4.371 -11.935 0.000) 12.710 14.349 ( -6.790 -23.396 0.000) 24.361 17.512 ( 0.487 -0.509 0.000) 0.704 17.592 ( 0.781 -4.415 0.000) 4.484 17.671 ( -2.514 -1.037 0.000) 2.719 17.708 ( -2.563 -2.699 0.000) 3.722 18.409 ( 1.821 -0.787 0.000) 1.984 18.443 ( 0.857 -0.475 0.000) 0.980 18.456 ( 1.094 -3.039 0.000) 3.230 18.537 ( -0.140 -5.034 0.000) 5.036 22.803 ( 0.396 4.063 0.000) 4.082 22.811 ( 1.033 3.538 0.000) 3.685 22.839 ( -0.430 5.013 0.000) 5.031 22.941 ( -1.729 -0.799 0.000) 1.905 27.912 ( 3.320 -0.146 0.000) 3.323 27.982 ( 3.487 -3.404 0.000) 4.873 28.234 ( -3.601 0.960 0.000) 3.727 28.317 ( -3.725 -3.024 0.000) 4.798 36.119 ( 1.620 6.495 0.000) 6.694 36.221 ( -0.613 7.328 0.000) 7.353 36.547 ( 2.729 -14.570 0.000) 14.824 36.707 ( -0.942 -16.746 0.000) 16.773 38.901 ( 3.001 -2.556 0.000) 3.942 38.999 ( 5.841 -7.512 0.000) 9.516 39.334 ( -5.390 -4.104 0.000) 6.775 39.434 ( -4.108 -9.221 0.000) 10.094 ======================= Grid point 37 (24/81) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.135 ( 3.751 2.530 0.000) 4.524 4.173 ( 0.161 5.899 0.000) 5.901 4.244 ( 5.190 -1.608 0.000) 5.433 4.338 ( -3.456 0.571 0.000) 3.503 5.397 ( 1.786 19.400 0.000) 19.482 5.443 ( -2.712 17.572 0.000) 17.780 5.974 ( 0.054 29.073 0.000) 29.073 5.978 ( -1.345 23.141 0.000) 23.180 6.200 ( 1.885 -10.120 0.000) 10.294 6.255 ( -2.462 -17.619 0.000) 17.791 6.696 ( 4.886 -2.638 0.000) 5.552 6.794 ( -4.761 11.054 0.000) 12.036 6.876 ( 4.495 8.557 0.000) 9.666 7.034 ( -9.151 8.722 0.000) 12.642 7.185 ( 7.592 -17.821 0.000) 19.370 7.312 ( -3.677 -14.376 0.000) 14.839 7.508 ( 4.525 0.627 0.000) 4.568 7.596 ( -4.722 -5.692 0.000) 7.396 7.789 ( 2.938 10.357 0.000) 10.766 7.907 ( -5.091 4.850 0.000) 7.031 7.947 ( 5.976 -3.087 0.000) 6.727 8.028 ( -2.322 -3.543 0.000) 4.236 8.265 ( 1.100 -12.674 0.000) 12.722 8.288 ( -1.125 -10.865 0.000) 10.923 8.778 ( 6.751 -5.745 0.000) 8.865 8.855 ( 1.733 -5.957 0.000) 6.204 8.867 ( 3.224 -3.321 0.000) 4.628 8.918 ( -3.713 -4.706 0.000) 5.994 9.696 ( 5.894 5.579 0.000) 8.115 9.760 ( 10.537 5.550 0.000) 11.910 9.764 ( 0.158 3.876 0.000) 3.879 9.823 ( 3.871 0.489 0.000) 3.902 9.879 ( -4.520 -1.262 0.000) 4.693 9.928 ( 10.150 -6.429 0.000) 12.015 10.026 ( -12.076 8.628 0.000) 14.841 10.232 ( -15.411 -2.850 0.000) 15.672 10.655 ( 2.858 11.016 0.000) 11.381 10.801 ( -9.728 13.093 0.000) 16.311 10.971 ( 2.456 -2.224 0.000) 3.313 11.077 ( -7.558 -0.587 0.000) 7.581 11.353 ( 7.364 8.064 0.000) 10.920 11.463 ( -3.427 11.604 0.000) 12.099 11.552 ( 7.538 0.214 0.000) 7.541 11.680 ( -4.668 2.765 0.000) 5.426 12.074 ( 5.583 21.063 0.000) 21.790 12.176 ( -4.384 19.964 0.000) 20.440 12.490 ( 3.905 11.431 0.000) 12.079 12.542 ( 0.851 8.235 0.000) 8.279 12.696 ( 5.589 4.195 0.000) 6.988 12.772 ( -0.767 15.863 0.000) 15.882 12.797 ( -0.960 14.980 0.000) 15.011 12.829 ( -4.540 22.005 0.000) 22.469 13.123 ( 2.937 1.835 0.000) 3.463 13.198 ( -2.950 16.363 0.000) 16.627 13.427 ( -0.856 -8.238 0.000) 8.282 13.478 ( -2.995 -5.091 0.000) 5.907 13.828 ( 5.011 -6.847 0.000) 8.485 13.923 ( -4.315 -10.620 0.000) 11.463 14.022 ( 6.073 -15.464 0.000) 16.614 14.176 ( -8.372 -20.590 0.000) 22.227 17.537 ( 2.066 -0.184 0.000) 2.074 17.600 ( -3.590 -0.432 0.000) 3.616 17.616 ( 1.484 -3.925 0.000) 4.196 17.655 ( -2.172 -3.199 0.000) 3.867 18.446 ( 1.210 -1.245 0.000) 1.736 18.456 ( 0.180 -0.985 0.000) 1.002 18.489 ( 1.890 -3.428 0.000) 3.915 18.524 ( -1.179 -4.346 0.000) 4.503 22.813 ( 0.601 4.317 0.000) 4.358 22.827 ( -0.649 4.676 0.000) 4.721 22.845 ( 2.046 2.471 0.000) 3.208 22.894 ( -2.446 0.834 0.000) 2.585 28.009 ( 5.485 0.237 0.000) 5.490 28.083 ( 5.720 -3.252 0.000) 6.580 28.132 ( -5.658 0.660 0.000) 5.696 28.211 ( -5.863 -3.101 0.000) 6.633 36.161 ( 2.052 6.873 0.000) 7.173 36.199 ( -1.431 7.180 0.000) 7.321 36.615 ( 3.251 -15.581 0.000) 15.917 36.674 ( -2.171 -16.330 0.000) 16.473 39.012 ( 7.115 -2.080 0.000) 7.413 39.149 ( 7.743 -9.139 0.000) 11.978 39.183 ( -8.205 -2.945 0.000) 8.718 39.311 ( -7.041 -9.564 0.000) 11.876 ======================= Grid point 40 (25/81) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.014 ( 0.000 -2.252 0.000) 2.252 4.014 ( 0.000 2.252 0.000) 2.252 4.316 ( 0.000 -8.350 0.000) 8.350 4.316 ( 0.000 8.350 0.000) 8.350 5.774 ( 0.000 -10.539 0.000) 10.539 5.774 ( 0.000 10.539 0.000) 10.539 5.822 ( 0.000 -25.568 0.000) 25.568 5.822 ( 0.000 25.569 0.000) 25.569 6.207 ( 0.000 -1.746 0.000) 1.746 6.207 ( 0.000 1.746 0.000) 1.746 6.925 ( 0.000 -34.527 0.000) 34.527 6.925 ( 0.000 34.528 0.000) 34.528 7.088 ( 0.000 -2.576 0.000) 2.576 7.088 ( 0.000 2.576 0.000) 2.576 7.437 ( 0.000 -15.625 0.000) 15.625 7.437 ( 0.000 15.625 0.000) 15.625 7.445 ( 0.000 -25.687 0.000) 25.687 7.445 ( 0.000 25.687 0.000) 25.687 7.589 ( 0.000 -11.460 0.000) 11.460 7.589 ( 0.000 11.460 0.000) 11.460 8.011 ( 0.000 -7.100 0.000) 7.100 8.011 ( 0.000 7.100 0.000) 7.100 8.090 ( 0.000 -15.371 0.000) 15.371 8.090 ( 0.000 15.371 0.000) 15.371 8.611 ( 0.000 -2.392 0.000) 2.392 8.611 ( 0.000 2.392 0.000) 2.392 9.085 ( 0.000 -11.781 0.000) 11.781 9.085 ( 0.000 11.781 0.000) 11.781 9.285 ( 0.000 -0.973 0.000) 0.973 9.285 ( 0.000 0.973 0.000) 0.973 9.758 ( 0.000 -5.848 0.000) 5.848 9.758 ( 0.000 5.848 0.000) 5.848 9.866 ( 0.000 -4.141 0.000) 4.141 9.866 ( 0.000 4.141 0.000) 4.141 10.516 ( 0.000 -7.170 0.000) 7.170 10.516 ( 0.000 7.170 0.000) 7.170 10.945 ( 0.000 -6.023 0.000) 6.023 10.945 ( 0.000 6.023 0.000) 6.023 11.110 ( 0.000 -3.692 0.000) 3.692 11.110 ( 0.000 3.692 0.000) 3.692 11.360 ( 0.000 -3.577 0.000) 3.577 11.360 ( 0.000 3.578 0.000) 3.578 11.925 ( 0.000 -2.862 0.000) 2.862 11.925 ( 0.000 2.863 0.000) 2.863 11.967 ( 0.000 -18.247 0.000) 18.247 11.967 ( 0.000 18.247 0.000) 18.247 12.431 ( 0.000 -4.593 0.000) 4.593 12.431 ( 0.000 4.593 0.000) 4.593 12.992 ( 0.000 -2.410 0.000) 2.410 12.992 ( 0.000 2.411 0.000) 2.411 13.009 ( 0.000 -22.561 0.000) 22.561 13.009 ( 0.000 22.561 0.000) 22.561 13.410 ( 0.000 -10.517 0.000) 10.517 13.410 ( 0.000 10.517 0.000) 10.517 13.594 ( 0.000 -4.136 0.000) 4.136 13.594 ( 0.000 4.138 0.000) 4.138 13.597 ( 0.000 -2.604 0.000) 2.604 13.597 ( 0.000 2.604 0.000) 2.604 13.938 ( 0.000 -15.107 0.000) 15.107 13.938 ( 0.000 15.106 0.000) 15.106 17.518 ( 0.000 -1.852 0.000) 1.852 17.518 ( 0.000 1.852 0.000) 1.852 17.699 ( 0.000 -1.200 0.000) 1.200 17.699 ( 0.000 1.200 0.000) 1.200 18.398 ( 0.000 -1.443 0.000) 1.443 18.398 ( 0.000 1.443 0.000) 1.443 18.456 ( 0.000 -2.675 0.000) 2.675 18.456 ( 0.000 2.675 0.000) 2.675 22.839 ( 0.000 -0.147 0.000) 0.147 22.839 ( 0.000 0.147 0.000) 0.147 22.921 ( 0.000 -2.674 0.000) 2.674 22.921 ( 0.000 2.674 0.000) 2.674 27.890 ( 0.000 -1.746 0.000) 1.746 27.890 ( 0.000 1.746 0.000) 1.746 28.307 ( 0.000 -2.122 0.000) 2.122 28.307 ( 0.000 2.122 0.000) 2.122 36.268 ( 0.000 -10.313 0.000) 10.313 36.268 ( 0.000 10.313 0.000) 10.313 36.423 ( 0.000 -12.135 0.000) 12.135 36.423 ( 0.000 12.135 0.000) 12.135 38.853 ( 0.000 -1.265 0.000) 1.265 38.853 ( 0.000 1.265 0.000) 1.265 39.368 ( 0.000 -2.036 0.000) 2.036 39.368 ( 0.000 2.036 0.000) 2.036 ======================= Grid point 42 (26/81) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( 4.885 -2.481 0.000) 5.479 4.072 ( 4.885 2.481 0.000) 5.479 4.315 ( -0.389 -7.224 0.000) 7.235 4.315 ( -0.389 7.225 0.000) 7.235 5.787 ( 1.086 -13.355 0.000) 13.399 5.787 ( 1.086 13.355 0.000) 13.399 5.828 ( 0.419 -24.704 0.000) 24.707 5.828 ( 0.419 24.704 0.000) 24.707 6.274 ( 6.116 -11.981 0.000) 13.452 6.274 ( 6.116 11.981 0.000) 13.452 6.851 ( -6.539 -32.745 0.000) 33.392 6.851 ( -6.539 32.745 0.000) 33.392 7.000 ( -4.845 -4.222 0.000) 6.427 7.000 ( -4.845 4.223 0.000) 6.427 7.305 ( -10.019 -12.389 0.000) 15.933 7.305 ( -10.019 12.389 0.000) 15.933 7.567 ( 8.817 -14.179 0.000) 16.697 7.567 ( 8.817 14.179 0.000) 16.697 7.673 ( 5.040 -13.433 0.000) 14.347 7.673 ( 5.040 13.433 0.000) 14.347 8.004 ( -0.391 -10.127 0.000) 10.134 8.004 ( -0.391 10.127 0.000) 10.134 8.120 ( 1.367 -12.486 0.000) 12.561 8.120 ( 1.367 12.486 0.000) 12.561 8.666 ( 4.689 -3.886 0.000) 6.089 8.666 ( 4.689 3.886 0.000) 6.090 8.911 ( -7.722 -7.480 0.000) 10.751 8.911 ( -7.722 7.480 0.000) 10.751 9.522 ( 14.256 -4.219 0.000) 14.867 9.522 ( 14.256 4.219 0.000) 14.867 9.775 ( 1.248 -6.357 0.000) 6.478 9.775 ( 1.248 6.357 0.000) 6.478 9.856 ( -0.907 -4.039 0.000) 4.139 9.856 ( -0.907 4.039 0.000) 4.139 10.426 ( -8.580 -6.631 0.000) 10.844 10.426 ( -8.580 6.632 0.000) 10.844 10.857 ( -3.356 -7.902 0.000) 8.585 10.857 ( -3.356 7.902 0.000) 8.585 11.227 ( -10.476 -5.527 0.000) 11.845 11.227 ( -10.476 5.527 0.000) 11.845 11.276 ( 10.602 -5.506 0.000) 11.947 11.276 ( 10.602 5.506 0.000) 11.947 11.747 ( -5.780 -6.795 0.000) 8.921 11.747 ( -5.780 6.795 0.000) 8.921 12.254 ( 13.436 -14.897 0.000) 20.061 12.254 ( 13.436 14.897 0.000) 20.061 12.452 ( 1.790 -5.536 0.000) 5.818 12.452 ( 1.790 5.536 0.000) 5.818 12.947 ( -4.464 -18.740 0.000) 19.264 12.947 ( -4.464 18.740 0.000) 19.265 12.993 ( 0.115 -2.318 0.000) 2.321 12.993 ( 0.115 2.319 0.000) 2.322 13.294 ( -6.382 -12.829 0.000) 14.329 13.294 ( -6.382 12.830 0.000) 14.329 13.638 ( 2.675 -12.713 0.000) 12.991 13.638 ( 2.674 12.714 0.000) 12.992 13.687 ( 4.942 -5.925 0.000) 7.715 13.687 ( 4.942 5.925 0.000) 7.715 13.848 ( -7.616 -19.304 0.000) 20.752 13.848 ( -7.617 19.304 0.000) 20.752 17.527 ( 0.817 -2.018 0.000) 2.177 17.527 ( 0.818 2.018 0.000) 2.177 17.670 ( -2.460 -0.938 0.000) 2.632 17.670 ( -2.460 0.938 0.000) 2.632 18.413 ( 1.274 -1.180 0.000) 1.737 18.413 ( 1.274 1.180 0.000) 1.737 18.462 ( 0.345 -2.375 0.000) 2.400 18.462 ( 0.345 2.375 0.000) 2.400 22.845 ( 0.589 -0.189 0.000) 0.618 22.845 ( 0.589 0.190 0.000) 0.618 22.911 ( -0.836 -2.336 0.000) 2.481 22.911 ( -0.836 2.336 0.000) 2.481 27.929 ( 3.503 -1.794 0.000) 3.935 27.929 ( 3.503 1.794 0.000) 3.935 28.265 ( -3.721 -2.093 0.000) 4.269 28.265 ( -3.721 2.093 0.000) 4.269 36.292 ( 2.035 -10.625 0.000) 10.818 36.292 ( 2.035 10.625 0.000) 10.818 36.416 ( -0.731 -12.051 0.000) 12.073 36.416 ( -0.731 12.051 0.000) 12.073 38.900 ( 4.221 -2.413 0.000) 4.862 38.900 ( 4.221 2.413 0.000) 4.862 39.317 ( -4.625 -2.414 0.000) 5.217 39.317 ( -4.625 2.414 0.000) 5.217 ======================= Grid point 44 (27/81) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.191 ( 5.549 -3.008 0.000) 6.312 4.191 ( 5.549 3.008 0.000) 6.312 4.284 ( -2.850 -4.761 0.000) 5.549 4.284 ( -2.850 4.761 0.000) 5.549 5.814 ( 1.239 -18.414 0.000) 18.455 5.814 ( 1.239 18.414 0.000) 18.455 5.831 ( -0.290 -22.296 0.000) 22.298 5.831 ( -0.290 22.296 0.000) 22.298 6.451 ( 9.908 -21.465 0.000) 23.641 6.451 ( 9.908 21.465 0.000) 23.641 6.669 ( -9.915 -28.441 0.000) 30.119 6.669 ( -9.915 28.441 0.000) 30.119 6.963 ( 2.088 -5.801 0.000) 6.165 6.963 ( 2.088 5.801 0.000) 6.165 7.088 ( -8.993 -6.717 0.000) 11.224 7.088 ( -8.993 6.717 0.000) 11.224 7.725 ( 4.851 -15.734 0.000) 16.465 7.725 ( 4.851 15.734 0.000) 16.465 7.753 ( 1.811 -16.859 0.000) 16.956 7.753 ( 1.811 16.859 0.000) 16.956 8.016 ( 2.085 -11.298 0.000) 11.489 8.016 ( 2.085 11.299 0.000) 11.489 8.092 ( -3.842 -9.255 0.000) 10.021 8.092 ( -3.842 9.255 0.000) 10.021 8.775 ( 4.456 -4.077 0.000) 6.039 8.775 ( 4.456 4.077 0.000) 6.039 8.830 ( -1.291 -3.971 0.000) 4.176 8.830 ( -1.291 3.971 0.000) 4.176 9.799 ( 1.772 -4.590 0.000) 4.920 9.799 ( 1.772 4.590 0.000) 4.920 9.829 ( -1.466 -3.060 0.000) 3.393 9.829 ( -1.466 3.060 0.000) 3.393 9.833 ( 14.406 -2.347 0.000) 14.596 9.833 ( 14.406 2.347 0.000) 14.596 10.162 ( -15.151 -4.792 0.000) 15.890 10.162 ( -15.151 4.792 0.000) 15.890 10.863 ( 3.926 -8.504 0.000) 9.366 10.863 ( 3.926 8.504 0.000) 9.366 11.006 ( -9.036 -6.813 0.000) 11.317 11.006 ( -9.036 6.813 0.000) 11.317 11.490 ( 8.783 -5.411 0.000) 10.316 11.490 ( 8.783 5.412 0.000) 10.316 11.640 ( -5.385 -5.803 0.000) 7.917 11.640 ( -5.385 5.804 0.000) 7.917 12.452 ( 4.696 -14.355 0.000) 15.104 12.452 ( 4.696 14.356 0.000) 15.104 12.486 ( 0.685 -9.444 0.000) 9.469 12.486 ( 0.685 9.444 0.000) 9.469 12.888 ( 0.205 -11.712 0.000) 11.714 12.888 ( 0.205 11.713 0.000) 11.715 12.954 ( -4.349 -3.529 0.000) 5.600 12.954 ( -4.349 3.530 0.000) 5.601 13.298 ( 8.394 -8.525 0.000) 11.964 13.298 ( 8.394 8.526 0.000) 11.964 13.551 ( -12.086 -9.997 0.000) 15.685 13.551 ( -12.086 9.999 0.000) 15.686 13.757 ( 0.720 -12.141 0.000) 12.162 13.757 ( 0.720 12.139 0.000) 12.161 13.758 ( 1.511 -5.225 0.000) 5.439 13.758 ( 1.511 5.225 0.000) 5.439 17.556 ( 1.959 -2.003 0.000) 2.802 17.556 ( 1.959 2.003 0.000) 2.802 17.609 ( -2.919 -1.375 0.000) 3.227 17.609 ( -2.919 1.375 0.000) 3.227 18.443 ( 1.340 -1.067 0.000) 1.713 18.443 ( 1.340 1.067 0.000) 1.713 18.463 ( -0.393 -1.702 0.000) 1.747 18.463 ( -0.393 1.702 0.000) 1.747 22.863 ( 1.070 -0.704 0.000) 1.281 22.863 ( 1.070 0.704 0.000) 1.281 22.888 ( -1.223 -1.534 0.000) 1.962 22.888 ( -1.223 1.535 0.000) 1.962 28.031 ( 5.746 -1.903 0.000) 6.053 28.031 ( 5.746 1.903 0.000) 6.053 28.159 ( -5.880 -2.014 0.000) 6.215 28.159 ( -5.880 2.014 0.000) 6.215 36.344 ( 2.520 -11.261 0.000) 11.540 36.344 ( 2.520 11.261 0.000) 11.540 36.390 ( -1.720 -11.776 0.000) 11.901 36.390 ( -1.720 11.776 0.000) 11.901 39.024 ( 7.112 -3.323 0.000) 7.850 39.024 ( 7.112 3.323 0.000) 7.850 39.184 ( -7.358 -3.125 0.000) 7.994 39.184 ( -7.358 3.125 0.000) 7.994 ======================= Grid point 85 (28/81) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 0.000 32.710) 32.710 1.097 ( 0.000 0.000 51.013) 51.013 1.870 ( 0.000 0.000 81.642) 81.642 2.610 ( 0.000 0.000 -22.636) 22.636 3.144 ( 0.000 0.000 1.505) 1.505 3.410 ( 0.000 0.000 -2.622) 2.622 3.873 ( 0.000 0.000 -15.500) 15.500 4.026 ( 0.000 0.000 -9.481) 9.481 4.147 ( 0.000 0.000 19.105) 19.105 4.771 ( 0.000 0.000 7.085) 7.085 4.811 ( 0.000 0.000 16.922) 16.922 4.967 ( 0.000 0.000 17.988) 17.988 5.204 ( 0.000 0.000 -11.852) 11.852 5.604 ( 0.000 0.000 6.464) 6.464 5.846 ( 0.000 0.000 -1.731) 1.731 5.934 ( 0.000 0.000 5.729) 5.729 6.012 ( 0.000 0.000 -3.143) 3.143 6.405 ( 0.000 0.000 3.841) 3.841 6.829 ( 0.000 0.000 1.778) 1.778 7.054 ( 0.000 0.000 -3.621) 3.621 7.180 ( 0.000 0.000 -42.879) 42.879 7.193 ( 0.000 0.000 3.489) 3.489 7.425 ( 0.000 0.000 -2.090) 2.090 7.697 ( 0.000 0.000 6.490) 6.490 7.834 ( 0.000 0.000 -18.183) 18.183 8.047 ( 0.000 0.000 0.071) 0.071 8.065 ( 0.000 0.000 -0.210) 0.210 8.598 ( 0.000 0.000 -15.716) 15.716 8.684 ( 0.000 0.000 23.812) 23.812 8.871 ( 0.000 0.000 1.034) 1.034 8.952 ( 0.000 0.000 5.364) 5.364 8.957 ( 0.000 0.000 -0.814) 0.814 8.981 ( 0.000 0.000 -0.254) 0.254 9.085 ( 0.000 0.000 -0.573) 0.573 9.398 ( 0.000 0.000 -0.578) 0.578 9.775 ( 0.000 0.000 9.480) 9.480 10.080 ( 0.000 0.000 -4.686) 4.686 10.392 ( 0.000 0.000 -5.335) 5.335 10.420 ( 0.000 0.000 -3.117) 3.117 10.512 ( 0.000 0.000 -2.059) 2.059 10.766 ( 0.000 0.000 -0.017) 0.017 11.212 ( 0.000 0.000 0.195) 0.195 11.231 ( 0.000 0.000 -0.222) 0.222 11.312 ( 0.000 0.000 -29.108) 29.108 11.449 ( 0.000 0.000 0.102) 0.102 11.457 ( 0.000 0.000 -0.063) 0.063 12.069 ( 0.000 0.000 0.397) 0.397 12.088 ( 0.000 0.000 -0.159) 0.159 12.303 ( 0.000 0.000 2.393) 2.393 12.339 ( 0.000 0.000 -4.604) 4.604 12.441 ( 0.000 0.000 0.075) 0.075 12.453 ( 0.000 0.000 -0.215) 0.215 12.521 ( 0.000 0.000 0.455) 0.455 12.557 ( 0.000 0.000 -0.346) 0.346 12.774 ( 0.000 0.000 28.759) 28.759 13.312 ( 0.000 0.000 7.048) 7.048 13.627 ( 0.000 0.000 -4.954) 4.954 14.174 ( 0.000 0.000 -8.567) 8.567 14.713 ( 0.000 0.000 18.194) 18.194 15.793 ( 0.000 0.000 -7.339) 7.339 17.815 ( 0.000 0.000 3.873) 3.873 18.144 ( 0.000 0.000 3.964) 3.964 18.228 ( 0.000 0.000 -5.102) 5.102 18.523 ( 0.000 0.000 -9.167) 9.167 19.020 ( 0.000 0.000 -4.846) 4.846 19.033 ( 0.000 0.000 2.969) 2.969 19.200 ( 0.000 0.000 2.295) 2.295 19.362 ( 0.000 0.000 2.667) 2.667 21.044 ( 0.000 0.000 0.237) 0.237 21.069 ( 0.000 0.000 -0.385) 0.385 21.081 ( 0.000 0.000 0.062) 0.062 21.083 ( 0.000 0.000 0.089) 0.089 28.400 ( 0.000 0.000 -1.478) 1.478 28.455 ( 0.000 0.000 -2.519) 2.519 28.543 ( 0.000 0.000 2.895) 2.895 28.701 ( 0.000 0.000 -0.820) 0.820 36.514 ( 0.000 0.000 19.866) 19.866 38.121 ( 0.000 0.000 -14.832) 14.832 39.552 ( 0.000 0.000 5.533) 5.533 39.996 ( 0.000 0.000 -0.959) 0.959 40.375 ( 0.000 0.000 -0.270) 0.270 40.878 ( 0.000 0.000 -11.119) 11.119 41.775 ( 0.000 0.000 8.056) 8.056 42.213 ( 0.000 0.000 -3.849) 3.849 ======================= Grid point 86 (29/81) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 25.074 0.000 21.294) 32.896 1.595 ( 36.739 0.000 35.854) 51.334 2.636 ( 0.679 0.000 -21.809) 21.820 2.661 ( 62.106 0.000 52.146) 81.094 2.926 ( -19.202 0.000 3.825) 19.579 3.214 ( -10.269 0.000 1.056) 10.323 3.671 ( -3.852 0.000 -12.831) 13.397 4.155 ( -32.498 0.000 28.227) 43.045 4.283 ( 2.902 0.000 9.470) 9.904 4.442 ( 20.346 0.000 11.829) 23.535 4.793 ( 1.148 0.000 -6.496) 6.597 5.231 ( 1.420 0.000 -9.578) 9.683 5.443 ( -11.965 0.000 4.979) 12.959 5.512 ( 13.002 0.000 4.169) 13.653 5.574 ( -2.272 0.000 6.253) 6.652 5.794 ( -4.450 0.000 -1.051) 4.572 6.233 ( -7.936 0.000 8.478) 11.613 6.359 ( 15.516 0.000 0.562) 15.526 6.880 ( 4.425 0.000 0.192) 4.429 7.054 ( -0.011 0.000 -3.486) 3.486 7.183 ( -0.682 0.000 3.182) 3.254 7.260 ( -13.699 0.000 -22.588) 26.417 7.376 ( -4.278 0.000 -1.682) 4.597 7.456 ( -18.484 0.000 1.473) 18.542 7.773 ( -3.635 0.000 -4.694) 5.937 8.019 ( -16.569 0.000 1.681) 16.654 8.054 ( 0.673 0.000 0.148) 0.689 8.074 ( 0.602 0.000 0.129) 0.615 8.546 ( -10.521 0.000 6.985) 12.629 8.755 ( -4.910 0.000 3.581) 6.077 8.851 ( -10.685 0.000 3.557) 11.261 8.878 ( 0.623 0.000 0.793) 1.008 8.947 ( -0.844 0.000 -0.688) 1.089 9.009 ( 1.368 0.000 -0.648) 1.514 9.180 ( -13.716 0.000 1.620) 13.811 10.035 ( -15.155 0.000 -15.170) 21.443 10.099 ( 7.342 0.000 5.333) 9.074 10.243 ( 8.544 0.000 -3.913) 9.397 10.621 ( 18.352 0.000 -6.409) 19.439 10.802 ( 10.677 0.000 -3.665) 11.288 10.962 ( 8.766 0.000 -6.112) 10.686 11.223 ( 0.923 0.000 0.168) 0.938 11.239 ( 0.657 0.000 -0.190) 0.683 11.420 ( 10.061 0.000 -21.846) 24.051 11.439 ( -0.848 0.000 0.067) 0.850 11.445 ( -1.050 0.000 -0.043) 1.051 11.831 ( -4.138 0.000 8.286) 9.262 12.105 ( 1.598 0.000 2.856) 3.273 12.331 ( -0.252 0.000 -3.218) 3.228 12.443 ( 4.106 0.000 6.988) 8.105 12.445 ( 0.343 0.000 0.070) 0.350 12.454 ( 0.131 0.000 -0.150) 0.199 12.523 ( 0.230 0.000 0.349) 0.418 12.553 ( -0.362 0.000 -0.297) 0.468 12.738 ( 0.825 0.000 23.682) 23.696 13.149 ( -8.885 0.000 15.648) 17.994 13.729 ( -4.314 0.000 -2.485) 4.979 14.371 ( -5.975 0.000 6.991) 9.196 14.685 ( 14.197 0.000 -11.434) 18.228 15.767 ( -5.389 0.000 -25.191) 25.761 17.880 ( 3.072 0.000 6.294) 7.004 18.089 ( 0.270 0.000 0.727) 0.776 18.393 ( -6.778 0.000 -2.785) 7.327 18.458 ( 8.521 0.000 4.738) 9.750 18.935 ( -5.835 0.000 0.292) 5.842 18.974 ( -3.434 0.000 -3.644) 5.007 19.333 ( 9.400 0.000 -0.504) 9.414 19.434 ( 4.974 0.000 -1.998) 5.361 21.047 ( 0.268 0.000 0.217) 0.344 21.069 ( -0.058 0.000 -0.322) 0.327 21.078 ( -0.168 0.000 0.114) 0.203 21.084 ( -0.037 0.000 -0.006) 0.037 28.414 ( 0.080 0.000 -2.048) 2.049 28.459 ( 0.443 0.000 -1.156) 1.238 28.565 ( 1.811 0.000 0.321) 1.839 28.693 ( -0.793 0.000 -1.089) 1.347 36.545 ( 2.810 0.000 21.043) 21.230 37.323 ( -39.581 0.000 47.776) 62.042 38.945 ( -9.183 0.000 -19.901) 21.918 39.541 ( -23.343 0.000 -3.210) 23.563 40.679 ( 18.039 0.000 4.054) 18.488 41.427 ( -0.926 0.000 -15.713) 15.740 42.284 ( 18.267 0.000 -4.147) 18.732 42.527 ( 26.335 0.000 -20.946) 33.649 ======================= Grid point 87 (30/81) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 30.472 0.000 10.676) 32.289 2.275 ( -29.152 0.000 1.968) 29.218 2.448 ( 40.895 0.000 25.975) 48.447 2.826 ( 6.681 0.000 -8.852) 11.090 3.007 ( -9.478 0.000 -4.491) 10.488 3.267 ( -31.931 0.000 19.767) 37.554 3.763 ( 9.189 0.000 -1.538) 9.317 4.078 ( -11.849 0.000 20.941) 24.061 4.290 ( 60.290 0.000 26.414) 65.823 4.833 ( 1.067 0.000 6.729) 6.813 4.866 ( 18.015 0.000 6.128) 19.029 5.123 ( -3.982 0.000 3.227) 5.126 5.168 ( -9.111 0.000 -0.859) 9.152 5.571 ( 3.191 0.000 2.122) 3.832 5.679 ( -5.836 0.000 -0.176) 5.838 5.855 ( -7.832 0.000 -7.045) 10.534 6.083 ( -35.570 0.000 8.505) 36.573 6.153 ( -16.029 0.000 0.062) 16.029 6.769 ( 20.940 0.000 2.604) 21.101 6.989 ( 4.770 0.000 -2.889) 5.576 7.048 ( -0.908 0.000 -3.508) 3.624 7.183 ( 1.352 0.000 2.550) 2.886 7.209 ( -17.558 0.000 1.357) 17.611 7.263 ( -5.565 0.000 0.118) 5.566 7.968 ( 9.491 0.000 -5.498) 10.969 8.003 ( 8.846 0.000 -20.472) 22.301 8.071 ( 0.780 0.000 0.427) 0.890 8.081 ( -0.042 0.000 0.485) 0.487 8.509 ( 3.560 0.000 0.456) 3.589 8.639 ( -5.270 0.000 -0.530) 5.297 8.668 ( -4.166 0.000 5.384) 6.807 8.798 ( -15.396 0.000 -11.685) 19.328 8.897 ( 1.140 0.000 0.236) 1.164 8.924 ( -1.274 0.000 -0.321) 1.314 9.182 ( 9.969 0.000 2.310) 10.233 9.532 ( -22.704 0.000 -2.889) 22.887 10.280 ( 4.841 0.000 -9.390) 10.564 10.323 ( 0.453 0.000 -10.017) 10.028 10.979 ( 8.231 0.000 -12.541) 15.001 10.998 ( 5.777 0.000 -9.799) 11.375 11.160 ( 14.591 0.000 4.380) 15.234 11.245 ( 0.911 0.000 0.076) 0.914 11.252 ( 0.286 0.000 -0.079) 0.297 11.421 ( -0.627 0.000 0.006) 0.627 11.422 ( -0.764 0.000 -0.015) 0.764 11.452 ( -8.640 0.000 -1.212) 8.725 11.882 ( 6.287 0.000 10.928) 12.608 12.042 ( -7.101 0.000 9.371) 11.757 12.373 ( 4.372 0.000 0.200) 4.377 12.452 ( 0.313 0.000 0.050) 0.317 12.456 ( -0.021 0.000 -0.022) 0.030 12.486 ( -3.578 0.000 1.048) 3.728 12.531 ( 0.476 0.000 0.096) 0.486 12.542 ( -0.560 0.000 -0.148) 0.579 12.903 ( 14.312 0.000 8.282) 16.536 13.139 ( 3.089 0.000 15.584) 15.887 13.549 ( -1.563 0.000 6.212) 6.405 13.940 ( -25.736 0.000 19.317) 32.179 15.151 ( 21.711 0.000 -24.970) 33.088 15.545 ( -14.843 0.000 -28.530) 32.160 17.945 ( 3.541 0.000 5.767) 6.767 18.036 ( -4.679 0.000 4.760) 6.675 18.370 ( 3.896 0.000 8.507) 9.357 18.483 ( -4.724 0.000 14.447) 15.200 18.891 ( 1.262 0.000 -5.499) 5.642 18.924 ( -1.479 0.000 -5.187) 5.394 19.488 ( 4.476 0.000 -5.560) 7.137 19.517 ( 1.769 0.000 -5.424) 5.705 21.054 ( 0.436 0.000 0.153) 0.462 21.064 ( -0.415 0.000 0.007) 0.415 21.078 ( 0.139 0.000 -0.078) 0.159 21.081 ( -0.156 0.000 -0.079) 0.175 28.421 ( 0.868 0.000 -0.454) 0.980 28.448 ( -1.302 0.000 0.012) 1.302 28.616 ( 2.637 0.000 -1.703) 3.139 28.665 ( -1.848 0.000 -1.632) 2.465 36.635 ( 5.823 0.000 25.184) 25.848 36.819 ( -12.889 0.000 34.961) 37.261 38.916 ( 4.231 0.000 -21.838) 22.244 39.119 ( -14.981 0.000 -14.012) 20.513 41.027 ( 14.353 0.000 -0.702) 14.370 41.289 ( -10.005 0.000 -7.222) 12.339 42.603 ( 12.492 0.000 -1.373) 12.567 42.765 ( -1.050 0.000 -8.063) 8.131 ======================= Grid point 90 (31/81) ======================= q-point: ( 0.00 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 20.216 41.751) 46.388 1.488 ( 0.000 41.713 27.669) 50.055 2.196 ( 0.000 39.938 60.450) 72.452 3.019 ( 0.000 35.086 -22.604) 41.737 3.580 ( 0.000 39.652 2.682) 39.743 3.707 ( 0.000 21.343 -8.514) 22.978 3.985 ( 0.000 16.116 -4.983) 16.869 3.996 ( 0.000 0.811 -5.300) 5.361 4.444 ( 0.000 25.523 14.836) 29.522 4.773 ( 0.000 -0.267 -1.155) 1.185 4.786 ( 0.000 0.727 24.051) 24.062 4.980 ( 0.000 1.197 18.435) 18.474 5.416 ( 0.000 19.055 -11.647) 22.332 5.794 ( 0.000 -1.699 3.683) 4.056 5.839 ( 0.000 20.984 5.564) 21.710 5.982 ( 0.000 -2.058 -0.749) 2.190 6.241 ( 0.000 26.488 -0.920) 26.504 6.265 ( 0.000 -8.227 13.139) 15.502 7.029 ( 0.000 16.512 0.881) 16.535 7.193 ( 0.000 4.052 -33.561) 33.804 7.235 ( 0.000 14.549 -9.087) 17.153 7.345 ( 0.000 13.659 -0.462) 13.667 7.541 ( 0.000 1.634 4.491) 4.779 7.716 ( 0.000 11.174 3.477) 11.702 7.820 ( 0.000 -0.366 -17.650) 17.654 8.017 ( 0.000 0.384 11.286) 11.292 8.161 ( 0.000 8.522 0.072) 8.523 8.616 ( 0.000 -1.450 14.065) 14.140 8.617 ( 0.000 2.264 -13.945) 14.127 8.822 ( 0.000 -4.086 3.095) 5.126 8.923 ( 0.000 -7.214 1.321) 7.334 8.964 ( 0.000 1.773 -0.530) 1.850 9.053 ( 0.000 6.576 0.475) 6.594 9.100 ( 0.000 6.167 0.866) 6.228 9.242 ( 0.000 -7.214 7.840) 10.655 9.749 ( 0.000 -2.287 8.495) 8.797 10.023 ( 0.000 -5.010 -5.989) 7.809 10.321 ( 0.000 -6.659 -0.902) 6.720 10.367 ( 0.000 -3.895 -7.018) 8.027 10.376 ( 0.000 -10.085 0.865) 10.122 10.757 ( 0.000 -0.773 -0.066) 0.775 11.201 ( 0.000 -4.472 -20.865) 21.339 11.301 ( 0.000 2.039 -9.081) 9.307 11.414 ( 0.000 7.746 -11.733) 14.059 11.502 ( 0.000 5.726 0.433) 5.743 11.637 ( 0.000 15.214 -2.681) 15.449 12.050 ( 0.000 -3.822 0.093) 3.823 12.061 ( 0.000 -0.884 0.398) 0.970 12.217 ( 0.000 -9.531 2.699) 9.906 12.234 ( 0.000 -6.257 -3.692) 7.265 12.399 ( 0.000 2.202 8.300) 8.587 12.429 ( 0.000 -4.183 8.893) 9.828 12.645 ( 0.000 12.732 0.109) 12.732 12.653 ( 0.000 8.855 -0.933) 8.904 12.866 ( 0.000 3.844 20.740) 21.093 13.292 ( 0.000 0.975 7.619) 7.681 13.716 ( 0.000 2.982 -0.341) 3.001 14.191 ( 0.000 0.016 -16.594) 16.594 14.637 ( 0.000 -7.269 18.073) 19.480 15.456 ( 0.000 -18.473 10.250) 21.126 17.805 ( 0.000 -0.952 3.629) 3.752 18.126 ( 0.000 -1.782 3.525) 3.950 18.178 ( 0.000 -3.082 -3.765) 4.866 18.476 ( 0.000 -4.125 -8.676) 9.607 18.959 ( 0.000 -3.955 0.366) 3.972 18.976 ( 0.000 -4.192 -4.186) 5.924 19.141 ( 0.000 -5.339 3.202) 6.225 19.312 ( 0.000 -4.556 1.418) 4.771 21.151 ( 0.000 10.011 0.421) 10.019 21.184 ( 0.000 10.502 -0.363) 10.508 21.204 ( 0.000 11.714 1.258) 11.782 21.958 ( 0.000 48.573 -46.878) 67.504 28.380 ( 0.000 -2.035 -1.672) 2.634 28.433 ( 0.000 -2.082 -2.530) 3.276 28.508 ( 0.000 -3.282 3.084) 4.504 28.671 ( 0.000 -2.266 -1.352) 2.639 36.484 ( 0.000 -2.910 19.422) 19.638 38.067 ( 0.000 -5.325 -14.872) 15.796 38.513 ( 0.000 -87.390 84.752) 121.737 39.427 ( 0.000 -12.165 4.716) 13.047 40.281 ( 0.000 -6.550 -3.336) 7.351 40.737 ( 0.000 -13.318 -12.359) 18.168 41.642 ( 0.000 -12.856 8.039) 15.163 42.034 ( 0.000 -14.536 -2.169) 14.697 ======================= Grid point 91 (32/81) ======================= q-point: ( 0.20 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 22.100 36.699 21.590) 47.972 1.747 ( 27.903 23.582 28.512) 46.342 2.847 ( 49.056 22.434 38.945) 66.532 3.048 ( 4.020 34.529 -15.712) 38.148 3.331 ( -16.982 34.802 3.383) 38.872 3.593 ( -5.656 31.395 -2.870) 32.029 3.755 ( -6.915 13.696 -4.598) 16.017 4.165 ( -29.614 1.390 28.079) 40.833 4.278 ( 2.843 0.904 7.340) 7.924 4.686 ( 13.562 16.940 9.696) 23.768 4.822 ( 6.490 8.840 -2.441) 11.235 5.412 ( -14.069 -0.251 -6.368) 15.445 5.452 ( 3.491 11.677 -1.889) 12.333 5.483 ( 14.004 5.671 6.773) 16.557 5.810 ( -2.622 20.698 5.828) 21.662 6.036 ( 0.119 19.795 0.298) 19.798 6.162 ( -5.284 -5.175 9.520) 12.055 6.404 ( 10.861 7.383 -0.342) 13.137 7.061 ( 3.945 15.136 -1.468) 15.710 7.216 ( -8.403 9.905 -1.013) 13.029 7.258 ( -11.281 9.269 -12.503) 19.222 7.345 ( 2.589 6.191 -10.462) 12.429 7.417 ( -8.604 8.005 4.302) 12.515 7.630 ( -7.728 16.095 -2.667) 18.052 7.744 ( -4.046 -0.072 -3.465) 5.327 7.917 ( -5.683 -0.474 -0.418) 5.718 8.133 ( 0.285 4.407 -1.045) 4.538 8.289 ( -6.161 13.089 -1.152) 14.512 8.551 ( -8.054 1.326 6.072) 10.173 8.733 ( -3.091 -1.738 4.702) 5.889 8.790 ( -4.749 -3.059 3.474) 6.632 8.939 ( -5.988 3.056 -3.225) 7.457 8.989 ( -5.196 2.389 -0.063) 5.719 9.064 ( -1.916 5.037 -1.428) 5.575 9.146 ( -3.265 0.815 1.161) 3.559 9.992 ( 2.543 -5.518 -9.549) 11.318 10.022 ( -10.072 -5.019 0.420) 11.261 10.189 ( 6.016 -4.698 -4.166) 8.696 10.550 ( 21.791 -5.723 -4.171) 22.913 10.707 ( 12.830 -7.400 -1.422) 14.879 10.907 ( 8.666 -3.520 -1.951) 9.555 11.178 ( 1.652 -7.252 -12.469) 14.519 11.326 ( 1.219 5.244 -4.502) 7.019 11.448 ( 0.114 9.019 -6.646) 11.203 11.497 ( 0.859 3.376 -2.351) 4.203 11.642 ( -0.616 10.945 -4.251) 11.757 11.830 ( -4.486 0.203 3.900) 5.948 12.094 ( -0.299 -0.648 2.845) 2.933 12.202 ( -0.531 -8.791 -2.435) 9.138 12.374 ( 2.210 -6.671 1.259) 7.140 12.410 ( 4.168 -0.166 8.830) 9.766 12.501 ( 4.513 -1.263 5.184) 6.988 12.638 ( -0.536 11.707 0.209) 11.722 12.653 ( -0.057 9.192 -1.012) 9.248 12.843 ( -0.092 6.557 17.042) 18.260 13.178 ( -6.476 4.262 12.478) 14.690 13.700 ( -5.547 -2.231 -0.019) 5.979 14.314 ( -6.198 -5.323 8.018) 11.447 14.614 ( 11.670 -6.501 -9.172) 16.204 15.496 ( -0.280 -19.133 -9.618) 21.416 17.854 ( 3.029 -2.181 5.509) 6.654 18.052 ( -1.508 -2.988 1.414) 3.633 18.349 ( 1.260 -4.932 2.023) 5.478 18.379 ( 0.720 -4.089 -0.461) 4.177 18.893 ( -3.564 -3.277 -2.081) 5.270 18.949 ( -3.121 -2.390 -2.963) 4.923 19.259 ( 8.618 -6.789 0.013) 10.971 19.371 ( 4.003 -5.496 -2.311) 7.181 21.156 ( 0.519 10.195 0.411) 10.217 21.195 ( 1.058 11.334 -0.457) 11.392 21.201 ( -0.223 11.732 1.056) 11.782 21.656 ( -18.570 39.977 -19.740) 48.298 28.389 ( 0.255 -2.402 -1.728) 2.970 28.441 ( 0.495 -1.729 -1.052) 2.084 28.526 ( 1.665 -3.583 0.417) 3.973 28.659 ( -1.069 -2.800 -1.293) 3.264 36.514 ( 2.726 -2.989 20.543) 20.937 37.200 ( -32.966 -11.394 48.931) 60.090 38.733 ( 3.392 -19.376 -18.998) 27.347 39.379 ( -16.547 -14.946 -1.853) 22.375 40.472 ( 19.983 -17.714 4.914) 27.153 41.210 ( 8.481 -19.831 -17.345) 27.678 41.939 ( 28.988 -32.887 3.779) 44.002 42.161 ( 10.406 -18.116 -1.224) 20.928 ======================= Grid point 92 (33/81) ======================= q-point: ( 0.40 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 24.762 43.271 9.824) 50.814 2.515 ( 38.166 7.277 25.063) 46.236 2.711 ( -24.570 37.271 2.867) 44.732 3.236 ( 1.406 31.396 -5.015) 31.825 3.306 ( -23.711 14.331 12.436) 30.368 3.427 ( -12.122 31.841 -1.779) 34.117 3.786 ( 8.637 3.500 -2.315) 9.603 4.097 ( -14.658 2.333 17.012) 22.577 4.371 ( 57.594 9.477 27.637) 64.581 4.850 ( 1.758 2.213 6.709) 7.280 5.084 ( 12.594 15.579 3.455) 20.329 5.165 ( 1.927 8.883 5.673) 10.715 5.395 ( -7.114 20.791 0.048) 21.975 5.770 ( -0.701 13.038 0.569) 13.069 5.855 ( 5.833 5.816 -5.728) 10.033 5.948 ( -6.705 24.244 -0.369) 25.157 6.069 ( -8.277 -3.128 -1.322) 8.946 6.139 ( -50.439 4.114 12.287) 52.077 6.756 ( 19.860 0.142 2.434) 20.009 7.126 ( -7.865 4.187 0.916) 8.958 7.219 ( -2.911 12.172 -4.323) 13.241 7.238 ( -0.262 17.415 -5.386) 18.230 7.383 ( 2.335 17.758 1.981) 18.020 7.500 ( -7.456 19.161 -0.068) 20.560 7.929 ( 13.588 -2.286 -8.206) 16.038 8.005 ( 7.483 1.343 -15.768) 17.505 8.173 ( -0.061 7.126 -0.363) 7.136 8.196 ( -3.127 8.703 0.507) 9.261 8.514 ( 2.810 1.004 1.842) 3.507 8.635 ( -2.845 -2.270 7.307) 8.164 8.668 ( -4.429 3.080 3.865) 6.636 8.766 ( -11.436 -1.023 -16.143) 19.810 8.916 ( -1.201 1.542 -1.785) 2.647 8.945 ( -4.382 2.092 -1.265) 5.018 9.255 ( 9.767 6.814 1.484) 12.001 9.563 ( -19.499 3.311 -2.842) 19.981 10.180 ( 5.354 -8.856 -7.276) 12.650 10.239 ( -0.302 -7.118 -9.331) 11.740 10.918 ( 6.547 -6.454 -10.010) 13.591 10.934 ( 6.354 -3.832 -13.151) 15.100 11.100 ( 13.643 -4.078 3.445) 14.650 11.250 ( 2.223 -4.878 -1.146) 5.482 11.337 ( 0.014 6.874 -0.675) 6.907 11.403 ( -3.884 5.818 -1.696) 7.198 11.517 ( 0.600 5.144 0.128) 5.180 11.575 ( -4.863 5.504 2.758) 7.846 11.844 ( 3.990 -2.015 8.192) 9.332 11.982 ( -7.708 -4.665 10.176) 13.591 12.255 ( 3.662 -6.884 -1.807) 8.004 12.337 ( -3.570 -6.229 3.748) 8.099 12.552 ( 4.650 4.854 -0.806) 6.770 12.583 ( 1.811 3.246 0.030) 3.717 12.633 ( 0.404 9.699 -0.915) 9.751 12.650 ( -0.473 7.511 -2.007) 7.789 12.945 ( 10.304 4.980 8.225) 14.094 13.146 ( -1.009 1.512 10.767) 10.919 13.554 ( 1.210 1.149 9.558) 9.703 13.918 ( -23.505 -1.832 19.811) 30.795 15.026 ( 19.573 -11.287 -21.383) 31.108 15.366 ( -11.607 -15.301 -21.323) 28.697 17.915 ( 3.116 -2.734 4.979) 6.479 17.994 ( -4.019 -3.673 4.253) 6.909 18.336 ( 3.054 -3.229 7.065) 8.347 18.419 ( -2.713 -5.378 11.190) 12.708 18.864 ( 0.992 -2.451 -4.780) 5.463 18.897 ( -1.714 -2.470 -4.236) 5.195 19.406 ( 4.258 -7.480 -4.772) 9.841 19.436 ( 1.312 -7.093 -5.413) 9.018 21.171 ( 0.825 10.624 0.460) 10.666 21.188 ( -0.718 11.138 0.715) 11.184 21.242 ( 3.435 15.274 -1.210) 15.703 21.364 ( -8.806 24.167 -4.502) 26.112 28.401 ( 1.041 -1.984 -0.394) 2.275 28.430 ( -1.347 -1.747 0.107) 2.209 28.576 ( 2.639 -3.682 -1.710) 4.842 28.627 ( -1.973 -3.436 -1.647) 4.291 36.600 ( 5.523 -3.334 24.451) 25.288 36.771 ( -11.561 -4.658 33.557) 35.797 38.810 ( 5.644 -10.312 -21.541) 24.540 39.017 ( -14.123 -9.985 -13.957) 22.225 40.862 ( 15.743 -15.559 0.341) 22.137 41.138 ( -9.750 -14.309 -7.084) 18.709 42.354 ( 8.829 -24.441 -0.776) 25.998 42.389 ( 6.688 -30.993 -1.242) 31.731 ======================= Grid point 95 (34/81) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.000 32.413 27.949) 42.799 2.069 ( 0.000 24.381 44.361) 50.620 3.395 ( 0.000 67.563 21.811) 70.996 3.614 ( 0.000 12.582 -17.561) 21.603 3.971 ( 0.000 9.776 -8.484) 12.945 4.266 ( 0.000 33.715 -7.866) 34.620 4.545 ( 0.000 20.736 11.777) 23.847 4.557 ( 0.000 49.520 5.651) 49.841 4.821 ( 0.000 4.698 20.110) 20.651 4.956 ( 0.000 26.430 -9.799) 28.188 5.023 ( 0.000 6.033 17.983) 18.968 5.072 ( 0.000 33.572 10.708) 35.238 5.790 ( 0.000 8.758 -9.412) 12.856 5.811 ( 0.000 4.531 3.492) 5.720 6.036 ( 0.000 15.229 2.425) 15.421 6.077 ( 0.000 -3.474 5.764) 6.730 6.438 ( 0.000 27.857 11.391) 30.096 6.936 ( 0.000 40.185 -3.673) 40.352 7.284 ( 0.000 6.755 -35.199) 35.842 7.412 ( 0.000 19.879 5.904) 20.737 7.542 ( 0.000 3.739 4.496) 5.847 7.571 ( 0.000 8.990 -10.314) 13.682 7.679 ( 0.000 21.010 -7.852) 22.429 7.919 ( 0.000 13.425 -5.154) 14.381 7.955 ( 0.000 7.688 14.083) 16.045 8.295 ( 0.000 26.868 -2.917) 27.026 8.335 ( 0.000 5.810 -2.653) 6.387 8.652 ( 0.000 -8.134 4.967) 9.530 8.652 ( 0.000 3.529 4.194) 5.481 8.713 ( 0.000 3.374 0.725) 3.451 8.849 ( 0.000 5.342 -8.155) 9.749 8.980 ( 0.000 -0.802 8.326) 8.365 9.134 ( 0.000 -0.701 2.015) 2.133 9.286 ( 0.000 10.622 -0.214) 10.624 9.304 ( 0.000 15.100 -2.548) 15.314 9.707 ( 0.000 -1.044 6.020) 6.110 9.915 ( 0.000 -3.918 -6.481) 7.573 10.160 ( 0.000 -8.515 -0.076) 8.515 10.190 ( 0.000 -7.485 1.319) 7.600 10.303 ( 0.000 -1.635 -6.391) 6.597 10.737 ( 0.000 -1.391 0.711) 1.562 11.065 ( 0.000 -8.901 -24.079) 25.672 11.278 ( 0.000 -2.649 -11.686) 11.982 11.413 ( 0.000 -7.106 -12.696) 14.549 11.714 ( 0.000 11.459 -0.532) 11.472 11.936 ( 0.000 -7.383 1.027) 7.454 11.939 ( 0.000 10.931 -7.644) 13.338 11.981 ( 0.000 -7.850 4.032) 8.825 12.122 ( 0.000 -3.977 5.289) 6.618 12.127 ( 0.000 3.837 4.344) 5.796 12.419 ( 0.000 -1.966 8.217) 8.448 12.436 ( 0.000 5.337 9.914) 11.259 12.690 ( 0.000 -12.912 6.079) 14.272 12.863 ( 0.000 10.413 -2.187) 10.640 13.009 ( 0.000 15.877 6.355) 17.102 13.459 ( 0.000 13.566 9.273) 16.432 13.731 ( 0.000 0.411 5.291) 5.307 14.127 ( 0.000 -5.831 -14.442) 15.575 14.442 ( 0.000 -11.254 18.485) 21.641 15.233 ( 0.000 -4.804 3.530) 5.961 17.778 ( 0.000 -1.618 3.169) 3.558 18.076 ( 0.000 -3.010 2.378) 3.836 18.113 ( 0.000 -3.555 -3.813) 5.213 18.363 ( 0.000 -6.968 -7.443) 10.196 18.861 ( 0.000 -6.812 -2.615) 7.297 18.881 ( 0.000 -4.150 -2.017) 4.614 19.003 ( 0.000 -7.954 3.223) 8.582 19.200 ( 0.000 -6.189 -0.845) 6.247 21.423 ( 0.000 16.297 0.139) 16.298 21.467 ( 0.000 16.720 -0.740) 16.736 21.514 ( 0.000 17.897 3.724) 18.280 22.598 ( 0.000 18.366 -36.700) 41.040 28.314 ( 0.000 -4.539 -1.656) 4.832 28.375 ( 0.000 -3.520 -2.590) 4.370 28.430 ( 0.000 -3.901 3.159) 5.020 28.625 ( 0.000 -2.288 -3.053) 3.815 36.403 ( 0.000 -4.973 18.121) 18.791 37.305 ( 0.000 -37.803 68.775) 78.479 37.911 ( 0.000 -9.977 -14.875) 17.911 39.079 ( 0.000 -21.748 1.825) 21.825 40.100 ( 0.000 -11.141 -3.676) 11.732 40.385 ( 0.000 -20.415 -13.147) 24.282 41.284 ( 0.000 -21.794 7.801) 23.148 41.651 ( 0.000 -22.997 -2.545) 23.138 ======================= Grid point 96 (35/81) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 23.014 24.254 27.710) 43.425 2.455 ( 28.012 28.024 26.680) 47.768 3.462 ( -1.656 16.455 -10.380) 19.526 3.763 ( 25.274 48.449 21.127) 58.587 4.049 ( 5.284 29.200 -9.993) 31.311 4.208 ( -18.677 20.265 20.205) 34.172 4.261 ( -26.195 13.893 13.546) 32.599 4.348 ( -10.255 32.681 3.150) 34.397 4.593 ( 2.409 44.056 -0.491) 44.125 4.855 ( 1.779 9.503 -4.362) 10.606 5.293 ( 2.278 12.069 4.213) 12.984 5.396 ( 3.295 15.386 3.436) 16.106 5.553 ( 10.206 9.502 4.979) 14.807 5.952 ( 5.614 24.848 -4.745) 25.912 6.043 ( -1.929 -0.010 4.447) 4.848 6.275 ( 10.108 12.024 5.563) 16.664 6.404 ( 3.310 24.575 8.393) 26.179 6.869 ( -7.634 35.694 -4.028) 36.723 7.294 ( -12.513 8.157 -14.010) 20.479 7.347 ( -12.628 6.252 4.989) 14.948 7.533 ( 3.660 18.913 -5.933) 20.157 7.600 ( 5.205 7.798 -9.833) 13.586 7.672 ( 1.033 16.011 -4.845) 16.760 7.815 ( -8.148 15.136 1.196) 17.231 7.994 ( 1.177 11.748 -0.764) 11.831 8.093 ( -7.199 11.680 -1.164) 13.769 8.235 ( -2.285 14.819 -0.587) 15.006 8.517 ( -9.212 5.480 3.406) 11.247 8.643 ( 1.819 3.940 7.718) 8.854 8.713 ( -3.009 5.937 2.411) 7.079 8.758 ( -4.054 3.133 3.704) 6.322 8.948 ( -5.604 1.280 -7.351) 9.332 9.069 ( -3.552 4.482 -2.707) 6.328 9.220 ( -4.945 10.092 -3.025) 11.639 9.307 ( 2.011 13.830 -0.740) 13.995 9.810 ( 8.003 -9.328 -1.475) 12.379 9.964 ( -12.526 -2.697 -3.417) 13.261 10.102 ( 2.422 -2.040 -7.769) 8.389 10.428 ( 23.568 -5.791 -3.259) 24.487 10.561 ( 15.263 -6.412 -0.535) 16.564 10.841 ( 7.345 -3.148 1.680) 8.166 11.008 ( -0.776 -9.164 -16.301) 18.716 11.351 ( 4.856 -2.534 -8.684) 10.267 11.476 ( 4.826 -5.263 -9.659) 12.012 11.657 ( -5.705 8.025 0.479) 9.858 11.742 ( -7.737 -2.020 5.639) 9.784 11.876 ( -6.238 1.122 -7.809) 10.058 12.023 ( -2.620 -5.010 4.528) 7.244 12.088 ( 0.027 -2.121 1.611) 2.664 12.258 ( 5.098 -1.616 4.253) 6.833 12.430 ( 2.842 -4.151 8.801) 10.137 12.495 ( 6.020 6.427 7.629) 11.651 12.738 ( 3.144 -5.570 0.613) 6.425 12.848 ( -1.488 9.223 -2.561) 9.687 13.033 ( 2.536 15.319 7.112) 17.078 13.371 ( -5.677 13.321 6.757) 15.979 13.678 ( -4.878 1.024 5.014) 7.070 14.184 ( -5.461 -6.543 11.873) 14.616 14.446 ( 8.996 -9.648 -5.117) 14.149 15.200 ( -3.748 -9.115 -2.997) 10.301 17.804 ( 1.907 -2.619 3.644) 4.876 17.984 ( -3.672 -3.658 0.706) 5.231 18.236 ( 4.130 -5.790 1.423) 7.253 18.290 ( -3.060 -5.263 -2.129) 6.449 18.811 ( -1.961 -4.784 -2.973) 5.964 18.882 ( -2.402 -4.100 -2.370) 5.310 19.087 ( 7.189 -9.573 0.415) 11.979 19.237 ( 2.376 -7.386 -2.933) 8.295 21.431 ( 0.795 16.390 0.271) 16.411 21.493 ( 1.585 17.260 -0.190) 17.333 21.512 ( 0.891 18.013 2.285) 18.179 22.306 ( -21.848 23.346 -23.020) 39.399 28.320 ( 0.566 -4.432 -1.109) 4.603 28.393 ( 0.731 -2.929 -1.104) 3.214 28.435 ( 1.003 -4.994 0.762) 5.151 28.600 ( -2.081 -2.853 -2.487) 4.320 36.430 ( 2.504 -5.105 19.095) 19.924 36.920 ( -18.380 -14.895 44.521) 50.416 38.291 ( 16.084 -21.912 -17.332) 32.237 38.995 ( -10.040 -22.210 -3.117) 24.572 40.103 ( 11.627 -17.446 3.088) 21.192 40.748 ( 14.772 -24.138 -14.693) 31.887 41.340 ( 8.930 -27.758 10.974) 31.156 41.713 ( 4.719 -26.137 -1.954) 26.631 ======================= Grid point 97 (36/81) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 32.421 15.184 22.744) 42.414 3.028 ( 23.142 35.526 13.385) 44.462 3.397 ( -13.537 19.265 8.360) 24.985 3.548 ( -24.699 19.882 16.423) 35.707 3.851 ( -6.866 19.399 1.847) 20.661 4.028 ( -14.666 12.099 6.671) 20.149 4.230 ( 9.141 43.362 -14.289) 46.562 4.413 ( -2.988 39.990 0.012) 40.102 4.730 ( 27.063 25.110 16.735) 40.533 4.928 ( 1.153 5.542 7.192) 9.153 5.257 ( 13.945 12.166 1.428) 18.561 5.618 ( 10.364 19.254 4.589) 22.343 5.806 ( 9.179 12.033 -3.797) 15.603 5.961 ( -6.637 26.450 4.698) 27.672 5.973 ( -5.103 0.256 -2.288) 5.598 6.232 ( -33.306 18.584 13.956) 40.613 6.485 ( -10.759 29.841 3.114) 31.874 6.598 ( -4.726 35.154 0.534) 35.474 6.819 ( 15.073 8.269 1.896) 17.296 7.174 ( -13.603 4.341 1.786) 14.390 7.609 ( 3.104 21.141 -7.962) 22.803 7.660 ( -0.871 20.873 -12.585) 24.389 7.796 ( 4.705 19.647 1.113) 20.233 7.870 ( 7.834 2.793 -8.331) 11.772 7.978 ( 1.247 17.790 1.192) 17.874 8.108 ( 4.386 12.152 -11.551) 17.330 8.281 ( -4.437 3.784 4.078) 7.116 8.322 ( -2.653 3.876 3.768) 6.022 8.515 ( -1.626 1.490 1.330) 2.575 8.687 ( -2.931 7.345 5.003) 9.358 8.747 ( 1.153 3.323 3.390) 4.885 8.850 ( -9.320 8.457 -9.944) 16.040 8.970 ( 0.914 6.560 -4.337) 7.917 9.076 ( -7.037 13.159 -6.151) 16.140 9.427 ( 8.508 9.510 -0.010) 12.760 9.658 ( -13.223 4.986 -2.785) 14.404 9.991 ( 7.407 -7.757 -5.527) 12.066 10.100 ( -2.542 -4.887 -8.910) 10.475 10.772 ( 8.220 -7.726 -11.684) 16.241 10.840 ( 3.153 -5.562 -15.144) 16.439 11.004 ( 12.570 -5.574 3.461) 14.180 11.114 ( 6.139 -7.456 -0.699) 9.683 11.444 ( -2.849 1.831 2.155) 4.014 11.469 ( 2.134 -6.787 1.580) 7.287 11.529 ( -5.721 3.197 -1.072) 6.641 11.628 ( -7.298 -1.929 5.303) 9.225 11.800 ( 4.420 -6.544 5.300) 9.510 11.930 ( -5.570 0.720 10.874) 12.239 12.133 ( 3.985 -4.111 -5.691) 8.073 12.234 ( -4.480 -3.404 1.845) 5.921 12.566 ( 7.406 -3.162 -0.354) 8.061 12.646 ( 3.699 3.075 1.927) 5.182 12.768 ( 0.154 2.494 -4.605) 5.239 12.806 ( -2.012 6.385 -3.138) 7.394 13.128 ( 6.142 13.201 5.759) 15.658 13.263 ( -5.498 10.675 2.454) 12.256 13.624 ( 4.381 5.945 14.571) 16.335 13.893 ( -16.897 0.037 20.471) 26.544 14.764 ( 15.915 -12.909 -13.521) 24.551 15.051 ( -10.373 -13.554 -11.085) 20.352 17.847 ( 2.249 -3.798 2.903) 5.283 17.909 ( -3.486 -4.504 2.199) 6.105 18.249 ( 1.710 -5.249 4.706) 7.254 18.295 ( -1.223 -6.571 6.509) 9.330 18.799 ( 0.867 -3.854 -3.627) 5.363 18.832 ( -1.959 -3.839 -2.948) 5.222 19.221 ( 4.398 -10.143 -3.799) 11.690 19.267 ( -0.068 -9.122 -4.888) 10.349 21.454 ( 1.303 16.685 0.791) 16.755 21.482 ( -1.202 17.109 1.740) 17.239 21.617 ( 8.125 20.312 -2.573) 22.028 21.874 ( -16.442 23.847 -8.343) 30.144 28.342 ( 1.509 -3.824 -0.090) 4.112 28.378 ( -1.622 -3.293 0.609) 3.721 28.484 ( 2.959 -4.988 -1.982) 6.129 28.547 ( -2.798 -4.086 -2.097) 5.378 36.507 ( 4.782 -5.644 22.403) 23.593 36.645 ( -8.639 -7.447 29.755) 31.866 38.520 ( 8.400 -17.788 -20.173) 28.176 38.731 ( -11.990 -17.909 -13.760) 25.570 40.460 ( 17.312 -22.482 2.685) 28.502 40.759 ( -9.536 -21.875 -5.710) 24.537 41.646 ( 13.083 -37.152 4.098) 39.601 41.782 ( -0.118 -32.819 0.049) 32.819 ======================= Grid point 100 (37/81) ======================= q-point: ( 0.00 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 0.000 37.596 17.783) 41.590 2.589 ( 0.000 27.432 35.721) 45.039 3.695 ( 0.000 1.411 -8.491) 8.608 4.144 ( 0.000 8.679 4.438) 9.748 4.735 ( 0.000 56.608 13.079) 58.100 4.763 ( 0.000 13.330 2.317) 13.530 4.802 ( 0.000 1.359 16.235) 16.292 4.940 ( 0.000 7.612 10.334) 12.835 5.189 ( 0.000 36.865 -9.089) 37.969 5.639 ( 0.000 21.800 9.610) 23.824 5.646 ( 0.000 20.883 3.226) 21.130 5.727 ( 0.000 45.419 1.609) 45.448 5.882 ( 0.000 8.424 -3.915) 9.289 6.046 ( 0.000 20.935 5.295) 21.594 6.069 ( 0.000 9.613 -7.223) 12.024 6.437 ( 0.000 18.171 0.953) 18.196 6.941 ( 0.000 19.379 13.475) 23.604 7.458 ( 0.000 7.593 -26.041) 27.126 7.603 ( 0.000 16.100 -19.611) 25.373 7.625 ( 0.000 6.857 6.432) 9.402 7.814 ( 0.000 25.549 -11.026) 27.827 7.910 ( 0.000 25.149 5.458) 25.735 8.108 ( 0.000 20.480 5.021) 21.087 8.138 ( 0.000 10.239 8.203) 13.119 8.183 ( 0.000 3.452 -4.358) 5.560 8.296 ( 0.000 -1.456 -2.227) 2.660 8.599 ( 0.000 3.011 2.892) 4.175 8.727 ( 0.000 3.308 4.083) 5.255 8.757 ( 0.000 11.919 1.339) 11.994 8.888 ( 0.000 18.344 2.972) 18.583 9.104 ( 0.000 0.714 0.289) 0.771 9.156 ( 0.000 20.589 -4.704) 21.120 9.157 ( 0.000 23.526 0.372) 23.529 9.476 ( 0.000 6.794 -4.864) 8.356 9.643 ( 0.000 14.941 0.500) 14.949 9.739 ( 0.000 4.468 3.021) 5.394 9.954 ( 0.000 8.830 -4.269) 9.808 10.033 ( 0.000 -0.921 0.440) 1.021 10.111 ( 0.000 2.148 -4.223) 4.738 10.329 ( 0.000 4.822 -2.839) 5.595 10.682 ( 0.000 -4.249 2.207) 4.788 10.845 ( 0.000 -12.607 -20.217) 23.826 11.179 ( 0.000 -14.712 -12.302) 19.177 11.257 ( 0.000 1.621 -14.194) 14.287 11.771 ( 0.000 -8.098 3.007) 8.638 11.811 ( 0.000 -8.486 4.599) 9.652 11.879 ( 0.000 3.391 -1.232) 3.607 12.023 ( 0.000 -0.482 -7.851) 7.866 12.090 ( 0.000 0.263 10.520) 10.523 12.186 ( 0.000 -6.473 9.394) 11.408 12.375 ( 0.000 -14.348 3.171) 14.694 12.429 ( 0.000 8.794 2.237) 9.074 12.598 ( 0.000 8.565 6.998) 11.060 13.011 ( 0.000 3.198 -3.728) 4.912 13.345 ( 0.000 16.062 3.892) 16.527 13.719 ( 0.000 9.618 4.609) 10.665 13.772 ( 0.000 3.369 5.894) 6.789 14.024 ( 0.000 -2.575 -9.156) 9.511 14.240 ( 0.000 -6.483 21.207) 22.176 15.194 ( 0.000 -0.537 -2.941) 2.990 17.740 ( 0.000 -2.262 2.773) 3.578 18.010 ( 0.000 -3.486 0.992) 3.624 18.032 ( 0.000 -4.517 -2.925) 5.381 18.202 ( 0.000 -8.814 -5.521) 10.400 18.717 ( 0.000 -7.126 -1.055) 7.204 18.789 ( 0.000 -4.927 -2.421) 5.489 18.837 ( 0.000 -8.081 2.714) 8.525 19.068 ( 0.000 -6.820 -2.435) 7.242 21.779 ( 0.000 18.428 -0.192) 18.429 21.826 ( 0.000 18.179 -0.916) 18.202 21.889 ( 0.000 18.596 4.921) 19.237 22.830 ( 0.000 6.646 -21.459) 22.464 28.203 ( 0.000 -6.106 -0.494) 6.126 28.295 ( 0.000 -4.345 -2.483) 5.004 28.362 ( 0.000 -2.785 2.273) 3.595 28.577 ( 0.000 -2.534 -3.890) 4.643 36.293 ( 0.000 -5.637 16.063) 17.023 36.767 ( 0.000 -18.814 43.582) 47.469 37.672 ( 0.000 -13.489 -14.487) 19.794 38.581 ( 0.000 -26.840 -2.509) 26.957 39.845 ( 0.000 -13.794 -3.395) 14.206 39.958 ( 0.000 -21.126 -10.478) 23.582 40.802 ( 0.000 -25.076 7.006) 26.036 41.138 ( 0.000 -27.099 -2.410) 27.206 ======================= Grid point 101 (38/81) ======================= q-point: ( 0.20 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 14.349 29.664 24.456) 41.036 2.992 ( 27.932 27.236 21.290) 44.444 3.620 ( -2.201 5.586 -5.688) 8.270 4.218 ( -3.528 4.490 24.130) 24.796 4.366 ( -22.536 5.420 14.908) 27.559 4.739 ( 2.099 24.779 -7.566) 25.994 4.893 ( 5.113 26.133 6.206) 27.342 5.048 ( 8.618 32.085 0.790) 33.232 5.177 ( -26.297 27.850 1.297) 38.325 5.374 ( 9.294 30.432 -5.008) 32.212 5.580 ( -12.068 17.750 -5.003) 22.040 5.694 ( 0.060 16.631 4.923) 17.345 5.877 ( 8.409 19.036 3.977) 21.188 6.188 ( 9.662 13.736 -1.843) 16.895 6.427 ( 17.679 21.806 6.926) 28.914 6.610 ( 10.604 26.197 3.814) 28.518 6.888 ( -0.537 19.262 9.849) 21.641 7.431 ( -8.900 9.616 -6.930) 14.822 7.490 ( 0.508 9.344 -14.498) 17.256 7.585 ( -19.679 20.488 -0.411) 28.412 7.820 ( -0.359 22.120 -1.605) 22.181 7.935 ( 1.978 16.045 -6.504) 17.426 7.957 ( -5.989 2.253 -7.457) 9.827 8.065 ( 0.113 19.469 3.061) 19.708 8.199 ( -2.035 5.375 4.173) 7.103 8.270 ( 3.343 7.799 2.228) 8.773 8.595 ( -0.157 10.809 5.193) 11.993 8.635 ( -9.488 14.240 -0.026) 17.112 8.754 ( 1.562 7.332 0.098) 7.497 8.883 ( -1.162 19.475 3.234) 19.776 9.020 ( -5.890 13.462 2.344) 14.880 9.127 ( -2.893 4.585 -3.861) 6.655 9.222 ( 3.115 24.507 -7.177) 25.726 9.399 ( -4.046 7.887 -4.479) 9.931 9.641 ( 1.740 8.774 -1.256) 9.033 9.738 ( 1.690 12.068 -5.148) 13.228 9.908 ( -3.494 -0.746 1.095) 3.737 10.154 ( 1.331 6.501 -9.598) 11.668 10.356 ( 16.606 0.165 -4.056) 17.095 10.476 ( 15.194 -0.870 -0.206) 15.221 10.756 ( 6.604 -6.210 4.505) 10.123 10.814 ( -1.186 -9.980 -14.629) 17.749 11.254 ( 5.943 -12.486 -7.085) 15.538 11.298 ( 4.078 -4.404 -13.649) 14.910 11.629 ( -10.490 -6.065 6.195) 13.609 11.730 ( -7.811 -7.777 4.080) 11.753 11.776 ( -10.011 -1.100 -2.893) 10.478 11.969 ( -2.432 -8.667 7.085) 11.456 12.049 ( 0.103 2.809 3.683) 4.634 12.296 ( 7.376 -4.167 4.445) 9.567 12.338 ( -3.334 2.222 -0.076) 4.008 12.584 ( 9.577 -5.100 -0.971) 10.893 12.669 ( 5.307 8.030 5.316) 10.996 12.973 ( -3.293 2.890 -4.264) 6.114 13.363 ( 1.805 15.834 3.986) 16.428 13.622 ( -6.033 9.674 0.511) 11.413 13.751 ( -1.222 5.445 8.407) 10.090 14.107 ( -2.684 0.301 16.252) 16.475 14.263 ( 9.336 -7.235 -1.893) 11.962 15.100 ( -8.448 -2.241 -4.109) 9.658 17.748 ( 0.640 -3.022 2.209) 3.798 17.907 ( -4.825 -3.971 -0.547) 6.273 18.115 ( 2.109 -6.231 0.148) 6.580 18.166 ( -1.394 -6.939 -1.222) 7.183 18.705 ( -0.329 -5.569 -2.480) 6.105 18.788 ( -1.827 -5.069 -1.601) 5.621 18.896 ( 5.942 -8.957 0.417) 10.757 19.083 ( 0.854 -7.724 -3.158) 8.389 21.789 ( 0.850 18.380 0.091) 18.400 21.858 ( 1.794 18.261 -0.019) 18.349 21.889 ( 1.374 18.606 2.843) 18.872 22.640 ( -15.535 11.196 -16.155) 25.053 28.216 ( 1.179 -5.672 -0.184) 5.796 28.322 ( 2.237 -4.311 -2.431) 5.432 28.347 ( -1.348 -3.396 1.891) 4.114 28.544 ( -2.843 -2.785 -3.376) 5.219 36.318 ( 2.217 -5.784 16.844) 17.947 36.640 ( -8.376 -12.464 34.140) 37.297 37.877 ( 13.496 -19.497 -15.993) 28.601 38.506 ( -7.020 -25.790 -6.071) 27.409 39.769 ( 4.460 -15.905 1.387) 16.577 40.267 ( 13.942 -23.177 -11.341) 29.329 40.782 ( 0.182 -27.521 9.373) 29.074 41.146 ( 0.178 -29.179 -2.250) 29.266 ======================= Grid point 102 (39/81) ======================= q-point: ( 0.40 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 24.774 21.465 20.814) 38.829 3.542 ( 3.675 18.292 12.998) 22.738 3.708 ( 11.343 11.797 9.389) 18.868 3.833 ( -4.817 15.548 18.057) 24.310 4.074 ( -10.847 4.544 13.525) 17.923 4.464 ( -31.255 24.785 4.594) 40.153 4.926 ( 11.867 16.904 -1.840) 20.736 5.032 ( 2.181 6.832 3.142) 7.830 5.167 ( -1.123 23.004 -9.198) 24.800 5.305 ( -12.354 33.510 -14.899) 38.697 5.716 ( 20.721 26.693 2.369) 33.875 5.809 ( 6.514 10.584 -7.351) 14.440 6.049 ( 11.689 21.621 3.122) 24.776 6.396 ( 7.258 30.287 11.935) 33.353 6.480 ( -10.245 21.482 12.785) 27.016 6.724 ( -16.060 28.758 5.413) 33.381 6.955 ( -0.378 17.784 10.187) 20.498 7.180 ( 13.930 29.019 1.588) 32.229 7.194 ( -12.391 14.128 -1.338) 18.839 7.469 ( -7.517 25.799 -1.248) 26.901 7.831 ( 4.208 3.668 -8.548) 10.209 7.967 ( -1.564 -0.192 -6.864) 7.043 7.995 ( 1.605 11.473 -6.813) 13.439 8.046 ( -1.625 11.026 -5.867) 12.595 8.159 ( 2.757 3.967 3.300) 5.851 8.303 ( -6.496 3.701 -0.206) 7.479 8.531 ( 6.058 21.852 -4.710) 23.160 8.623 ( 1.647 24.776 6.336) 25.626 8.804 ( 3.065 13.525 -1.113) 13.913 8.843 ( -1.719 19.219 6.507) 20.363 8.897 ( -5.059 11.958 -1.963) 13.131 8.950 ( -11.346 9.468 0.912) 14.805 9.298 ( 3.399 17.475 -11.421) 21.151 9.349 ( -1.533 9.431 -10.425) 14.141 9.671 ( 1.439 15.223 -0.848) 15.315 9.727 ( -3.427 7.771 -3.400) 9.148 9.955 ( 7.738 4.042 -3.680) 9.474 10.105 ( -5.064 5.353 -9.276) 11.847 10.614 ( 7.874 -7.502 -11.810) 16.055 10.697 ( 0.625 -8.676 -14.608) 17.001 10.881 ( 8.530 -6.365 5.228) 11.857 10.973 ( 8.435 -6.308 1.059) 10.586 11.261 ( -1.536 -10.868 5.202) 12.146 11.418 ( -4.763 -5.693 2.795) 7.932 11.521 ( 1.884 -6.687 -2.223) 7.294 11.549 ( -2.023 -4.832 4.017) 6.601 11.602 ( -0.866 -6.038 3.858) 7.217 11.823 ( -10.482 -12.442 10.591) 19.412 12.121 ( 5.223 2.352 -3.299) 6.610 12.240 ( -5.458 2.579 -2.728) 6.624 12.482 ( 9.369 -4.464 -1.172) 10.444 12.649 ( -4.369 -2.646 -2.286) 5.596 12.808 ( 6.442 2.335 -0.078) 6.852 12.902 ( -2.970 4.348 -3.103) 6.112 13.423 ( 3.611 14.245 2.546) 14.915 13.509 ( -4.507 11.547 0.061) 12.395 13.774 ( 4.571 8.178 14.398) 17.178 13.941 ( -9.656 4.865 19.279) 22.104 14.555 ( 14.952 -7.271 -6.910) 18.005 14.861 ( -13.274 -5.618 -5.988) 15.609 17.767 ( 1.390 -4.090 0.810) 4.395 17.817 ( -3.392 -4.515 -0.011) 5.647 18.128 ( 1.011 -6.566 3.069) 7.318 18.157 ( -1.010 -7.076 3.740) 8.068 18.714 ( 1.152 -4.412 -2.708) 5.304 18.747 ( -1.785 -4.446 -1.983) 5.185 19.018 ( 4.644 -9.635 -2.778) 11.051 19.082 ( -1.342 -8.984 -3.857) 9.869 21.814 ( 1.462 18.326 0.943) 18.408 21.846 ( -1.419 18.324 2.232) 18.514 22.015 ( 9.400 18.478 -2.910) 20.935 22.285 ( -15.639 16.776 -7.890) 24.254 28.253 ( 2.198 -4.829 0.473) 5.327 28.303 ( -2.345 -3.932 1.177) 4.727 28.388 ( 3.591 -4.423 -2.425) 6.191 28.470 ( -3.855 -3.582 -2.701) 5.915 36.384 ( 3.912 -6.345 19.393) 20.776 36.486 ( -5.832 -7.920 24.615) 26.507 38.121 ( 9.498 -21.168 -17.616) 29.131 38.318 ( -9.438 -22.462 -13.204) 27.712 40.014 ( 15.274 -20.948 3.876) 26.214 40.303 ( -9.392 -22.450 -3.256) 24.553 40.927 ( 11.070 -33.808 3.734) 35.769 41.107 ( -4.767 -33.087 -0.920) 33.441 ======================= Grid point 105 (40/81) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.000 29.210 25.003) 38.450 3.309 ( 0.000 31.786 5.996) 32.347 3.787 ( 0.000 11.512 2.475) 11.775 4.280 ( 0.000 4.946 17.926) 18.596 4.718 ( 0.000 -5.947 20.464) 21.311 4.999 ( 0.000 13.452 -2.229) 13.635 5.090 ( 0.000 8.397 3.015) 8.922 5.668 ( 0.000 23.404 3.821) 23.714 5.748 ( 0.000 -0.601 8.480) 8.501 5.864 ( 0.000 25.107 -10.244) 27.116 5.946 ( 0.000 12.905 -10.038) 16.349 6.264 ( 0.000 36.881 1.338) 36.905 6.310 ( 0.000 16.170 2.191) 16.318 6.466 ( 0.000 17.193 -6.161) 18.264 6.641 ( 0.000 27.591 1.883) 27.655 6.749 ( 0.000 14.091 6.708) 15.606 7.184 ( 0.000 4.439 7.387) 8.618 7.551 ( 0.000 2.389 -19.382) 19.529 7.786 ( 0.000 8.631 13.593) 16.101 7.849 ( 0.000 1.404 -13.545) 13.618 8.100 ( 0.000 2.976 -1.857) 3.508 8.171 ( 0.000 9.096 -4.932) 10.347 8.197 ( 0.000 3.905 -0.543) 3.942 8.292 ( 0.000 4.948 6.408) 8.095 8.440 ( 0.000 15.106 6.727) 16.536 8.517 ( 0.000 9.874 -3.808) 10.583 8.798 ( 0.000 6.332 10.376) 12.156 8.890 ( 0.000 23.663 -7.614) 24.858 9.003 ( 0.000 14.213 1.912) 14.341 9.109 ( 0.000 2.773 -7.979) 8.447 9.357 ( 0.000 19.189 -2.769) 19.388 9.436 ( 0.000 2.486 -1.750) 3.040 9.652 ( 0.000 19.892 -4.769) 20.456 9.738 ( 0.000 18.936 -0.267) 18.937 9.905 ( 0.000 13.760 3.980) 14.324 9.928 ( 0.000 23.323 4.615) 23.775 10.157 ( 0.000 11.678 0.013) 11.678 10.233 ( 0.000 16.172 -2.266) 16.330 10.341 ( 0.000 9.588 -14.451) 17.343 10.504 ( 0.000 10.956 -4.413) 11.811 10.602 ( 0.000 -6.862 -7.214) 9.956 10.669 ( 0.000 11.555 1.738) 11.684 10.878 ( 0.000 -12.518 -6.684) 14.191 11.328 ( 0.000 3.300 -12.343) 12.777 11.632 ( 0.000 -5.569 1.495) 5.766 11.634 ( 0.000 -9.961 3.152) 10.447 11.818 ( 0.000 -7.885 1.142) 7.967 11.858 ( 0.000 -9.389 3.828) 10.139 12.068 ( 0.000 -0.273 6.942) 6.947 12.166 ( 0.000 5.060 0.463) 5.082 12.283 ( 0.000 3.761 2.911) 4.756 12.602 ( 0.000 5.629 0.117) 5.631 12.706 ( 0.000 0.973 3.377) 3.514 13.004 ( 0.000 -2.237 -6.707) 7.070 13.625 ( 0.000 11.257 3.504) 11.789 13.787 ( 0.000 -0.786 3.754) 3.836 13.839 ( 0.000 2.639 5.173) 5.807 14.038 ( 0.000 2.742 -5.439) 6.091 14.249 ( 0.000 5.545 18.736) 19.539 15.168 ( 0.000 -2.873 -4.843) 5.631 17.686 ( 0.000 -3.106 2.224) 3.820 17.933 ( 0.000 -5.242 -1.816) 5.548 17.940 ( 0.000 -3.405 0.045) 3.405 18.018 ( 0.000 -9.078 -3.428) 9.704 18.584 ( 0.000 -5.926 0.005) 5.926 18.676 ( 0.000 -6.463 1.082) 6.553 18.695 ( 0.000 -5.548 -1.191) 5.675 18.926 ( 0.000 -7.276 -3.081) 7.902 22.141 ( 0.000 16.975 -0.409) 16.980 22.176 ( 0.000 16.198 -0.821) 16.219 22.242 ( 0.000 16.063 4.530) 16.690 22.914 ( 0.000 2.400 -12.103) 12.338 28.083 ( 0.000 -5.604 0.517) 5.628 28.203 ( 0.000 -4.719 -2.133) 5.178 28.315 ( 0.000 -1.930 1.579) 2.494 28.522 ( 0.000 -2.910 -3.800) 4.786 36.186 ( 0.000 -4.766 13.397) 14.219 36.476 ( 0.000 -10.925 28.138) 30.185 37.377 ( 0.000 -15.580 -13.225) 20.436 38.028 ( 0.000 -27.365 -5.880) 27.990 39.557 ( 0.000 -18.237 -6.020) 19.205 39.560 ( 0.000 -14.102 -2.833) 14.384 40.307 ( 0.000 -23.319 5.556) 23.972 40.591 ( 0.000 -26.347 -2.065) 26.428 ======================= Grid point 106 (41/81) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 10.194 29.512 21.975) 38.181 3.525 ( 16.282 20.324 2.160) 26.131 3.810 ( 5.439 18.902 9.176) 21.704 4.308 ( -1.145 4.385 25.826) 26.221 4.449 ( -18.936 2.270 16.850) 25.449 4.981 ( -3.040 5.504 0.654) 6.322 5.130 ( 4.511 11.747 -5.094) 13.576 5.486 ( -16.964 6.701 -2.628) 18.428 5.702 ( -21.785 17.650 1.230) 28.065 5.779 ( 0.930 8.671 2.680) 9.124 5.993 ( 6.609 24.883 -13.439) 29.042 6.174 ( 8.122 21.829 0.733) 23.303 6.376 ( -0.368 18.054 -8.385) 19.910 6.462 ( 12.637 29.115 2.084) 31.807 6.876 ( 16.704 19.002 9.879) 27.161 7.111 ( -4.660 9.202 11.150) 15.189 7.217 ( 25.676 20.719 2.733) 33.106 7.537 ( -3.869 6.597 -13.035) 15.113 7.673 ( -6.668 5.665 0.664) 8.775 7.801 ( -4.716 -3.009 -8.412) 10.102 8.097 ( -2.340 -0.430 2.981) 3.814 8.120 ( -3.744 18.416 5.102) 19.473 8.164 ( -1.916 2.502 0.045) 3.152 8.217 ( -6.107 13.752 2.512) 15.255 8.426 ( -5.595 9.018 -2.557) 10.916 8.532 ( 5.074 16.358 4.855) 17.802 8.821 ( -5.594 12.417 -8.464) 16.035 8.878 ( 6.032 4.477 3.343) 8.222 9.044 ( 2.830 20.995 1.996) 21.278 9.103 ( -0.511 4.361 -8.324) 9.411 9.359 ( 1.164 19.960 -2.165) 20.111 9.419 ( -1.157 11.122 -2.258) 11.407 9.569 ( -5.808 14.121 -4.115) 15.814 9.654 ( -4.040 18.317 -1.120) 18.791 9.944 ( 3.126 26.962 -0.396) 27.146 10.052 ( 5.000 12.246 -6.526) 14.749 10.072 ( 0.149 16.603 2.553) 16.799 10.314 ( -2.655 6.378 -14.334) 15.911 10.457 ( 8.430 3.948 1.978) 9.516 10.527 ( 0.878 2.023 -12.633) 12.824 10.641 ( 7.541 2.952 2.608) 8.507 10.700 ( 3.200 7.527 3.041) 8.726 10.937 ( 5.506 -14.558 -3.212) 15.893 11.293 ( -3.167 0.683 -8.568) 9.160 11.490 ( -9.236 -7.246 5.647) 13.027 11.592 ( -3.898 -5.298 0.788) 6.624 11.713 ( -8.918 -4.266 0.891) 9.926 11.775 ( -5.668 -6.999 5.005) 10.303 12.091 ( 2.298 2.007 3.561) 4.689 12.246 ( 6.352 1.677 -0.857) 6.626 12.382 ( 0.666 2.232 -1.797) 2.941 12.568 ( 3.815 0.924 1.230) 4.113 12.743 ( 0.541 -1.427 3.672) 3.977 13.021 ( 1.291 3.290 -5.712) 6.717 13.633 ( 0.635 10.157 2.412) 10.459 13.730 ( -3.432 1.764 1.815) 4.264 13.853 ( 1.682 4.194 7.475) 8.735 14.176 ( 8.559 1.516 -0.339) 8.699 14.204 ( -1.835 4.294 14.059) 14.814 15.057 ( -9.825 -2.958 -4.591) 11.240 17.682 ( -0.281 -3.545 1.216) 3.758 17.826 ( -5.343 -4.050 -1.592) 6.891 17.986 ( 0.248 -6.561 -0.144) 6.568 18.020 ( 0.379 -7.217 0.022) 7.227 18.595 ( 1.100 -5.133 -1.520) 5.465 18.681 ( -0.977 -5.454 -0.068) 5.541 18.735 ( 4.574 -6.959 -0.562) 8.346 18.928 ( -0.069 -7.658 -3.059) 8.246 22.149 ( 0.715 16.862 -0.072) 16.877 22.207 ( 1.885 16.007 -0.222) 16.119 22.241 ( 0.973 15.956 2.842) 16.237 22.800 ( -9.717 5.435 -9.908) 14.904 28.103 ( 1.851 -5.257 0.642) 5.610 28.230 ( 2.461 -4.589 -2.178) 5.645 28.291 ( -2.192 -2.308 1.488) 3.514 28.486 ( -3.191 -3.007 -3.442) 5.574 36.207 ( 1.940 -4.893 13.980) 14.938 36.424 ( -3.939 -8.833 24.349) 26.200 37.494 ( 8.993 -18.626 -13.915) 24.928 37.976 ( -4.620 -26.199 -7.881) 27.746 39.463 ( 2.140 -14.267 0.993) 14.460 39.826 ( 12.123 -20.246 -7.815) 24.858 40.252 ( -3.895 -24.409 7.129) 25.725 40.569 ( -2.349 -27.359 -2.175) 27.546 ======================= Grid point 107 (42/81) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.570 ( 16.896 23.679 18.229) 34.329 3.817 ( 10.890 9.715 6.553) 15.997 3.969 ( -13.237 15.452 14.134) 24.774 4.151 ( -13.690 8.002 22.209) 27.289 4.229 ( 22.675 18.526 12.883) 31.989 4.838 ( -25.601 12.495 3.929) 28.757 5.056 ( -1.357 3.880 6.538) 7.723 5.161 ( -4.732 4.357 6.143) 8.894 5.528 ( 6.118 15.701 -21.031) 26.950 5.733 ( -8.715 13.787 -10.008) 19.136 6.104 ( 4.084 15.558 -12.127) 20.144 6.169 ( -1.739 14.408 -12.687) 19.277 6.668 ( 17.161 26.983 4.170) 32.249 6.778 ( 11.840 15.103 8.302) 20.910 6.976 ( -0.476 20.423 13.388) 24.424 7.228 ( -3.080 18.286 7.553) 20.023 7.300 ( -0.608 13.144 7.056) 14.930 7.532 ( -7.469 18.158 -5.230) 20.318 7.675 ( 7.392 1.085 -7.002) 10.239 7.762 ( 5.355 23.732 4.490) 24.740 7.933 ( -5.949 11.510 1.326) 13.024 8.037 ( -5.783 4.247 1.076) 7.255 8.100 ( 1.270 4.176 10.828) 11.674 8.209 ( -2.657 6.987 6.865) 10.149 8.335 ( 1.419 10.283 -10.089) 14.476 8.490 ( -8.740 13.153 -6.098) 16.928 8.830 ( 7.489 8.926 -5.936) 13.077 8.993 ( -3.205 6.569 -3.643) 8.167 9.029 ( 2.675 8.209 -0.890) 8.679 9.102 ( -1.280 17.765 -2.043) 17.928 9.392 ( 1.153 24.015 -0.755) 24.054 9.410 ( -0.083 24.012 3.656) 24.289 9.508 ( 0.702 11.262 -10.413) 15.354 9.565 ( -3.767 16.543 -5.121) 17.722 10.030 ( 3.950 20.718 -3.800) 21.431 10.078 ( 0.489 18.750 -1.223) 18.796 10.128 ( 2.170 8.910 -13.004) 15.912 10.222 ( -5.478 4.566 -14.048) 15.755 10.530 ( 1.265 -2.082 -2.428) 3.439 10.543 ( 0.467 2.618 -3.611) 4.484 10.773 ( 5.022 -2.352 5.501) 7.811 10.850 ( 2.067 -6.631 3.139) 7.622 11.075 ( 8.753 -6.493 4.814) 11.914 11.303 ( 2.112 -2.372 1.239) 3.409 11.306 ( -4.463 -8.271 2.486) 9.722 11.485 ( -6.947 -9.099 3.138) 11.870 11.554 ( -2.796 2.186 -0.675) 3.613 11.621 ( -7.483 -1.537 2.431) 8.017 12.168 ( 4.873 2.381 -0.424) 5.440 12.285 ( -5.496 1.756 -2.701) 6.370 12.415 ( 7.884 -1.419 -1.327) 8.120 12.576 ( -5.963 -3.783 -3.291) 7.790 12.853 ( 9.262 2.289 3.065) 10.021 13.005 ( -3.927 5.319 -1.887) 6.876 13.649 ( 0.854 7.304 0.162) 7.356 13.674 ( -1.758 4.500 0.184) 4.835 13.929 ( 5.578 6.880 12.084) 14.983 14.072 ( -6.983 7.092 15.228) 18.193 14.464 ( 14.681 -2.597 -3.576) 15.332 14.785 ( -14.743 -3.099 -4.008) 15.589 17.684 ( 0.844 -4.087 -0.491) 4.202 17.729 ( -3.448 -4.208 -1.428) 5.625 17.991 ( 0.678 -6.890 2.199) 7.264 18.013 ( -1.024 -7.207 2.425) 7.673 18.626 ( 1.568 -4.282 -1.895) 4.938 18.657 ( -1.288 -4.425 -1.189) 4.759 18.838 ( 4.432 -8.150 -1.783) 9.447 18.909 ( -2.014 -8.178 -2.806) 8.877 22.171 ( 1.293 16.614 0.816) 16.684 22.200 ( -1.291 16.327 2.028) 16.503 22.348 ( 7.900 14.332 -2.390) 16.538 22.559 ( -11.499 10.797 -5.719) 16.778 28.158 ( 3.125 -4.384 0.931) 5.464 28.229 ( -3.319 -3.305 1.234) 4.844 28.304 ( 4.155 -4.079 -2.359) 6.282 28.399 ( -4.572 -3.442 -2.810) 6.375 36.263 ( 3.145 -5.354 15.793) 16.970 36.338 ( -3.849 -6.480 19.156) 20.585 37.686 ( 8.329 -21.552 -14.499) 27.278 37.848 ( -6.967 -23.601 -11.923) 27.344 39.630 ( 11.904 -16.965 3.664) 21.046 39.879 ( -8.538 -19.237 -1.306) 21.087 40.294 ( 8.763 -28.708 2.034) 30.085 40.476 ( -6.686 -29.031 -1.773) 29.844 ======================= Grid point 110 (43/81) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( 0.000 9.679 -3.438) 10.272 3.744 ( 0.000 27.285 14.290) 30.800 4.271 ( 0.000 24.317 18.548) 30.583 4.355 ( 0.000 3.023 23.111) 23.308 4.667 ( 0.000 8.295 14.017) 16.287 5.175 ( 0.000 3.810 11.445) 12.062 5.313 ( 0.000 11.115 -1.722) 11.247 5.797 ( 0.000 8.700 -4.902) 9.986 6.004 ( 0.000 16.178 0.360) 16.182 6.076 ( 0.000 3.996 -5.610) 6.888 6.279 ( 0.000 11.762 -15.134) 19.168 6.559 ( 0.000 10.264 3.149) 10.736 6.646 ( 0.000 4.893 -2.678) 5.578 6.843 ( 0.000 8.368 1.666) 8.532 6.984 ( 0.000 9.389 -12.165) 15.367 7.106 ( 0.000 2.784 -1.757) 3.292 7.321 ( 0.000 32.402 9.176) 33.676 7.407 ( 0.000 -15.026 -4.251) 15.616 7.916 ( 0.000 4.375 17.859) 18.387 7.920 ( 0.000 3.131 -15.833) 16.140 7.988 ( 0.000 -8.337 8.775) 12.104 8.224 ( 0.000 -1.117 0.915) 1.444 8.293 ( 0.000 5.415 2.616) 6.014 8.401 ( 0.000 0.083 -9.223) 9.224 8.599 ( 0.000 2.398 3.617) 4.340 8.871 ( 0.000 16.286 3.621) 16.683 8.913 ( 0.000 2.570 9.481) 9.824 9.199 ( 0.000 6.468 -2.138) 6.812 9.207 ( 0.000 8.256 -9.180) 12.346 9.325 ( 0.000 0.449 -10.663) 10.673 9.357 ( 0.000 18.502 -5.793) 19.388 9.735 ( 0.000 6.498 1.654) 6.706 9.937 ( 0.000 4.676 4.083) 6.208 10.050 ( 0.000 1.379 -10.460) 10.551 10.117 ( 0.000 16.657 -0.969) 16.685 10.167 ( 0.000 -5.474 -2.902) 6.196 10.428 ( 0.000 13.524 2.927) 13.837 10.485 ( 0.000 21.903 -1.969) 21.992 10.568 ( 0.000 -2.070 -4.145) 4.633 10.657 ( 0.000 23.182 -9.929) 25.219 10.818 ( 0.000 20.819 -5.242) 21.468 11.067 ( 0.000 30.089 8.818) 31.354 11.111 ( 0.000 21.282 1.652) 21.346 11.282 ( 0.000 -4.022 5.614) 6.906 11.499 ( 0.000 2.084 -3.402) 3.990 11.536 ( 0.000 -3.441 -1.194) 3.642 11.730 ( 0.000 1.667 0.673) 1.798 11.880 ( 0.000 9.920 -2.422) 10.211 12.154 ( 0.000 9.405 4.527) 10.438 12.331 ( 0.000 11.352 -3.121) 11.773 12.382 ( 0.000 5.003 2.868) 5.767 12.642 ( 0.000 -0.113 0.835) 0.843 12.645 ( 0.000 -5.594 1.801) 5.876 12.977 ( 0.000 -0.471 -9.982) 9.993 13.779 ( 0.000 0.334 4.457) 4.469 13.785 ( 0.000 4.145 3.659) 5.529 13.857 ( 0.000 -1.321 4.997) 5.169 14.074 ( 0.000 -0.289 -2.815) 2.830 14.350 ( 0.000 2.883 12.892) 13.211 15.056 ( 0.000 -8.578 -4.482) 9.678 17.617 ( 0.000 -3.572 1.389) 3.833 17.814 ( 0.000 -6.949 -2.567) 7.408 17.857 ( 0.000 -6.156 -0.070) 6.157 17.872 ( 0.000 -3.324 -0.168) 3.328 18.482 ( 0.000 -4.108 0.515) 4.140 18.556 ( 0.000 -5.173 1.594) 5.413 18.593 ( 0.000 -4.736 -1.800) 5.067 18.778 ( 0.000 -7.330 -2.994) 7.918 22.449 ( 0.000 13.293 -0.481) 13.302 22.467 ( 0.000 12.401 -0.565) 12.414 22.526 ( 0.000 12.030 3.254) 12.462 22.944 ( 0.000 0.745 -6.548) 6.590 27.983 ( 0.000 -4.178 1.075) 4.314 28.108 ( 0.000 -4.698 -1.565) 4.952 28.284 ( 0.000 -1.126 1.123) 1.590 28.461 ( 0.000 -3.127 -3.181) 4.460 36.110 ( 0.000 -2.562 10.301) 10.615 36.311 ( 0.000 -5.612 18.174) 19.020 37.055 ( 0.000 -16.021 -10.832) 19.339 37.499 ( 0.000 -24.717 -6.916) 25.666 39.233 ( 0.000 -13.753 -2.348) 13.952 39.290 ( 0.000 -12.410 -2.101) 12.587 39.883 ( 0.000 -18.346 3.745) 18.724 40.099 ( 0.000 -22.017 -1.640) 22.078 ======================= Grid point 111 (44/81) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 6.387 9.733 -0.421) 11.649 3.847 ( 9.253 25.099 14.410) 30.385 4.327 ( 3.387 13.164 17.513) 22.169 4.387 ( 1.619 3.472 25.827) 26.110 4.553 ( -6.731 22.032 10.787) 25.437 5.119 ( -4.636 7.753 9.599) 13.181 5.265 ( -4.774 1.908 2.703) 5.808 5.666 ( -8.829 13.156 -8.889) 18.167 5.968 ( -20.485 11.931 -2.499) 23.838 6.024 ( 1.678 15.076 -0.874) 15.195 6.289 ( 9.335 1.502 -8.306) 12.585 6.388 ( 2.171 11.823 -5.711) 13.309 6.637 ( -4.159 9.730 -13.412) 17.084 7.070 ( 7.123 10.042 2.015) 12.476 7.113 ( 0.929 -0.454 1.176) 1.566 7.243 ( 19.367 12.620 -3.953) 23.451 7.407 ( 5.012 -6.978 -9.049) 12.478 7.527 ( 10.148 10.340 3.855) 14.992 7.783 ( -4.619 5.484 17.144) 18.583 7.955 ( 0.323 -0.701 -6.061) 6.110 8.044 ( 4.649 7.795 9.826) 13.376 8.138 ( -4.919 -2.545 5.833) 8.043 8.244 ( -1.698 5.654 -4.151) 7.217 8.457 ( 1.425 -0.774 -2.605) 3.068 8.682 ( 2.585 2.976 -0.031) 3.943 8.796 ( -7.289 12.350 5.675) 15.423 8.898 ( 4.086 3.577 5.597) 7.798 9.129 ( -6.033 14.083 -4.902) 16.086 9.169 ( -2.179 7.378 -11.802) 14.088 9.420 ( 8.758 11.194 -1.594) 14.302 9.489 ( 5.809 9.182 -8.254) 13.645 9.715 ( -0.227 4.096 0.912) 4.203 9.821 ( -7.686 6.368 -4.598) 10.989 10.009 ( -3.561 6.071 -1.391) 7.174 10.081 ( -2.816 2.244 -4.427) 5.707 10.221 ( 1.679 -2.095 -7.090) 7.581 10.453 ( 0.533 14.192 6.477) 15.609 10.491 ( 1.951 6.606 -1.297) 7.009 10.600 ( -1.000 20.032 -2.423) 20.203 10.689 ( 6.644 11.812 -8.211) 15.846 10.811 ( -0.339 20.772 -3.147) 21.012 11.035 ( -3.277 23.039 4.640) 23.729 11.097 ( -1.797 19.680 4.040) 20.170 11.270 ( 0.213 0.364 5.078) 5.095 11.419 ( -5.048 5.555 -2.468) 7.901 11.499 ( -4.273 -1.731 1.379) 4.812 11.715 ( -1.462 3.455 -2.328) 4.415 11.807 ( -5.109 10.635 -3.513) 12.310 12.186 ( 2.209 8.550 3.955) 9.676 12.356 ( 2.098 8.439 -2.796) 9.134 12.434 ( -0.967 2.901 -0.133) 3.060 12.566 ( 0.564 -0.574 -0.772) 1.115 12.696 ( 4.119 -0.788 4.755) 6.340 13.075 ( 5.373 1.041 -7.479) 9.268 13.729 ( -3.250 -1.084 2.940) 4.515 13.749 ( -2.039 0.745 1.045) 2.409 13.917 ( 4.435 1.894 7.409) 8.840 14.175 ( 8.337 -1.376 -1.871) 8.655 14.303 ( -4.066 2.876 12.246) 13.220 14.952 ( -9.259 -7.985 -3.923) 12.841 17.609 ( -0.567 -3.555 0.555) 3.642 17.742 ( -4.698 -4.322 -2.482) 6.849 17.855 ( -0.146 -6.196 0.793) 6.248 17.887 ( -0.024 -5.876 0.619) 5.909 18.504 ( 1.830 -3.847 -0.606) 4.303 18.575 ( 0.531 -4.916 1.139) 5.074 18.613 ( 2.647 -5.290 -1.460) 6.093 18.776 ( -0.329 -7.351 -2.666) 7.827 22.454 ( 0.522 13.173 -0.179) 13.184 22.492 ( 1.875 12.090 -0.518) 12.246 22.523 ( 0.196 11.931 2.404) 12.172 22.879 ( -5.644 2.659 -5.587) 8.375 28.010 ( 2.427 -3.890 1.096) 4.715 28.138 ( 2.800 -4.495 -1.675) 5.554 28.253 ( -2.803 -1.411 1.145) 3.340 28.423 ( -3.363 -3.184 -2.939) 5.485 36.129 ( 1.737 -2.634 10.705) 11.161 36.286 ( -2.053 -4.799 16.550) 17.354 37.126 ( 5.843 -17.662 -11.038) 21.631 37.468 ( -2.834 -23.894 -7.847) 25.308 39.202 ( 2.026 -11.350 1.097) 11.581 39.457 ( 9.907 -16.243 -4.719) 19.602 39.816 ( -5.636 -18.535 4.688) 19.932 40.063 ( -3.452 -22.439 -1.842) 22.777 ======================= Grid point 112 (45/81) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.931 ( 10.301 9.811 4.808) 15.016 4.098 ( 12.498 19.779 20.509) 31.113 4.185 ( -11.944 5.356 9.653) 16.264 4.340 ( -7.465 10.932 26.374) 29.510 4.691 ( 16.100 25.416 8.454) 31.252 5.023 ( -8.638 8.940 1.460) 12.517 5.125 ( -2.415 2.603 8.922) 9.603 5.308 ( -17.684 12.220 8.713) 23.194 5.882 ( 6.967 19.572 -17.360) 27.074 6.027 ( -3.307 15.995 -7.750) 18.079 6.318 ( -1.367 5.793 -13.432) 14.692 6.345 ( -4.611 6.036 -12.215) 14.384 6.809 ( 14.341 -2.240 -2.169) 14.676 7.056 ( -7.396 -2.873 2.541) 8.331 7.234 ( 8.782 7.614 4.630) 12.512 7.420 ( -3.916 2.166 -8.444) 9.556 7.507 ( 2.205 7.437 2.004) 8.012 7.599 ( 1.470 8.411 -8.790) 12.254 7.911 ( 5.635 -0.448 11.883) 13.159 7.978 ( 5.901 0.931 4.312) 7.368 8.050 ( 0.154 -0.406 10.989) 10.997 8.187 ( 3.817 14.115 8.098) 16.715 8.303 ( 3.033 5.821 5.791) 8.753 8.457 ( 4.792 7.253 -10.145) 13.360 8.530 ( -11.413 18.713 8.316) 23.443 8.688 ( -6.542 3.149 -1.019) 7.331 9.049 ( 0.880 12.378 -5.665) 13.642 9.105 ( 10.946 4.903 -4.697) 12.880 9.118 ( -1.557 8.672 -6.717) 11.079 9.387 ( -10.926 9.718 -5.280) 15.546 9.618 ( 4.735 4.904 -2.678) 7.324 9.710 ( -3.200 2.560 -4.878) 6.371 9.781 ( 5.597 7.702 -1.645) 9.662 9.918 ( -5.468 12.032 2.558) 13.461 10.052 ( 3.580 -2.855 -10.605) 11.552 10.186 ( -5.421 -3.931 -12.219) 13.934 10.462 ( 0.592 10.669 5.851) 12.182 10.484 ( -1.705 7.751 3.558) 8.697 10.652 ( 6.129 17.459 -0.523) 18.511 10.770 ( -2.742 17.540 -2.128) 17.880 10.878 ( 5.936 18.837 0.211) 19.752 10.959 ( -3.402 18.267 3.864) 18.979 11.048 ( 1.021 2.381 0.399) 2.621 11.197 ( -8.722 -0.985 -1.492) 8.903 11.382 ( 3.200 10.747 3.000) 11.607 11.441 ( -1.490 8.168 3.096) 8.862 11.678 ( -1.328 8.663 -3.717) 9.520 11.701 ( -3.895 10.447 -3.791) 11.776 12.246 ( 3.629 6.286 1.375) 7.388 12.332 ( -3.917 3.713 -1.878) 5.714 12.450 ( 3.609 5.276 -0.150) 6.394 12.532 ( -3.579 0.352 -1.794) 4.019 12.900 ( 11.568 2.342 3.372) 12.275 13.090 ( -4.788 2.681 -2.035) 5.852 13.691 ( -0.033 -2.419 -0.200) 2.428 13.711 ( -1.509 -1.237 -1.037) 2.210 14.033 ( 6.399 2.906 9.611) 11.907 14.178 ( -6.651 2.539 10.830) 12.961 14.410 ( 12.587 -3.655 -1.659) 13.211 14.697 ( -13.603 -6.302 -2.725) 15.238 17.607 ( 0.786 -3.396 -0.908) 3.602 17.651 ( -3.372 -3.371 -2.012) 5.175 17.856 ( 0.370 -6.407 1.817) 6.670 17.872 ( -0.998 -6.638 1.692) 6.923 18.545 ( 1.727 -3.642 -1.108) 4.180 18.571 ( -0.688 -3.986 -0.538) 4.081 18.689 ( 3.718 -6.666 -1.080) 7.709 18.753 ( -2.031 -7.244 -1.950) 7.772 22.471 ( 0.985 12.900 0.522) 12.948 22.493 ( -0.976 12.542 1.412) 12.659 22.592 ( 5.454 9.949 -1.579) 11.455 22.732 ( -7.309 6.615 -3.534) 10.472 28.081 ( 4.062 -3.127 1.126) 5.248 28.173 ( -4.164 -2.209 1.035) 4.826 28.222 ( 4.598 -3.961 -1.849) 6.344 28.330 ( -5.053 -3.473 -2.424) 6.594 36.178 ( 2.592 -2.921 11.898) 12.523 36.234 ( -2.634 -3.613 13.895) 14.597 37.264 ( 6.331 -20.101 -11.108) 23.823 37.384 ( -4.865 -22.060 -9.799) 24.624 39.333 ( 9.346 -12.491 2.928) 15.873 39.537 ( -6.887 -14.530 -0.544) 16.089 39.780 ( 6.642 -22.157 1.037) 23.154 39.949 ( -7.172 -22.968 -1.928) 24.139 ======================= Grid point 115 (46/81) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( 0.000 9.553 1.108) 9.617 4.162 ( 0.000 9.863 4.373) 10.789 4.381 ( 0.000 -2.049 22.972) 23.064 4.473 ( 0.000 11.317 27.608) 29.837 5.199 ( 0.000 0.866 7.572) 7.621 5.268 ( 0.000 38.512 4.574) 38.783 5.501 ( 0.000 9.149 9.475) 13.171 6.085 ( 0.000 15.132 -7.047) 16.692 6.098 ( 0.000 -1.039 -5.549) 5.645 6.366 ( 0.000 19.134 -1.311) 19.179 6.377 ( 0.000 -0.678 -1.483) 1.631 6.699 ( 0.000 4.127 -4.015) 5.758 6.716 ( 0.000 2.034 2.981) 3.609 6.964 ( 0.000 5.655 -3.984) 6.918 7.040 ( 0.000 -3.635 -6.677) 7.602 7.044 ( 0.000 -11.788 -17.720) 21.283 7.152 ( 0.000 2.194 -16.054) 16.203 7.787 ( 0.000 -6.077 5.723) 8.347 7.883 ( 0.000 9.983 5.600) 11.447 7.984 ( 0.000 -0.266 -3.283) 3.294 8.031 ( 0.000 2.531 11.213) 11.495 8.211 ( 0.000 9.918 10.036) 14.110 8.303 ( 0.000 -6.496 -10.899) 12.688 8.347 ( 0.000 -4.588 6.756) 8.167 8.583 ( 0.000 -3.469 0.452) 3.499 8.866 ( 0.000 -10.056 0.910) 10.097 8.918 ( 0.000 -0.372 11.524) 11.530 9.278 ( 0.000 -0.964 -5.973) 6.050 9.326 ( 0.000 6.023 -1.387) 6.181 9.496 ( 0.000 4.625 -4.219) 6.260 9.550 ( 0.000 -5.853 -12.560) 13.857 9.628 ( 0.000 -6.353 -3.003) 7.027 9.963 ( 0.000 5.644 -8.913) 10.549 10.028 ( 0.000 0.846 1.216) 1.482 10.171 ( 0.000 4.686 11.591) 12.503 10.461 ( 0.000 7.615 -13.077) 15.133 10.690 ( 0.000 17.213 3.833) 17.635 10.743 ( 0.000 17.638 1.492) 17.701 10.797 ( 0.000 7.112 -2.012) 7.391 10.943 ( 0.000 10.826 0.606) 10.843 11.167 ( 0.000 9.225 1.671) 9.375 11.274 ( 0.000 0.157 6.497) 6.499 11.494 ( 0.000 20.176 5.600) 20.939 11.515 ( 0.000 0.809 -2.692) 2.811 11.668 ( 0.000 23.927 6.789) 24.872 11.794 ( 0.000 19.963 -12.245) 23.419 11.952 ( 0.000 20.662 -2.692) 20.837 12.120 ( 0.000 10.617 -2.601) 10.931 12.465 ( 0.000 11.229 0.623) 11.246 12.494 ( 0.000 16.467 3.324) 16.799 12.562 ( 0.000 0.472 0.717) 0.859 12.584 ( 0.000 8.921 -5.044) 10.249 12.729 ( 0.000 15.031 -1.130) 15.074 12.976 ( 0.000 1.014 -10.000) 10.051 13.762 ( 0.000 -2.692 2.933) 3.981 13.774 ( 0.000 -6.933 6.587) 9.563 13.802 ( 0.000 -2.298 3.862) 4.494 14.004 ( 0.000 -6.739 -1.064) 6.822 14.337 ( 0.000 -4.455 9.311) 10.322 14.812 ( 0.000 -15.701 -2.904) 15.967 17.549 ( 0.000 -2.908 0.622) 2.973 17.674 ( 0.000 -6.334 -2.151) 6.689 17.762 ( 0.000 -3.624 1.122) 3.794 17.805 ( 0.000 -3.287 -0.043) 3.287 18.419 ( 0.000 -2.236 0.611) 2.318 18.472 ( 0.000 -3.109 1.032) 3.275 18.506 ( 0.000 -3.910 -1.207) 4.092 18.636 ( 0.000 -6.562 -2.400) 6.987 22.672 ( 0.000 8.734 -0.391) 8.742 22.673 ( 0.000 8.126 -0.293) 8.132 22.726 ( 0.000 7.827 1.802) 8.032 22.950 ( 0.000 -0.007 -3.315) 3.315 27.916 ( 0.000 -2.405 1.233) 2.703 28.017 ( 0.000 -4.179 -0.854) 4.265 28.270 ( 0.000 -0.246 0.675) 0.718 28.398 ( 0.000 -3.010 -2.324) 3.802 36.089 ( 0.000 0.612 6.945) 6.972 36.248 ( 0.000 -0.630 10.973) 10.991 36.743 ( 0.000 -14.724 -7.542) 16.543 37.043 ( 0.000 -20.341 -5.801) 21.152 39.006 ( 0.000 -8.729 -0.362) 8.736 39.069 ( 0.000 -9.328 -1.308) 9.419 39.576 ( 0.000 -11.963 2.054) 12.138 39.717 ( 0.000 -15.701 -1.186) 15.746 ======================= Grid point 116 (47/81) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.934 ( 6.159 9.253 2.669) 11.431 4.242 ( 6.847 8.821 6.449) 12.895 4.354 ( -2.621 -0.782 19.536) 19.726 4.495 ( 1.534 9.584 27.570) 29.228 5.178 ( -1.898 7.287 7.487) 10.619 5.266 ( -0.543 30.422 4.925) 30.823 5.416 ( -5.152 14.911 9.940) 18.646 5.908 ( -12.605 9.460 0.474) 15.767 6.239 ( 5.577 2.478 -4.777) 7.750 6.287 ( -1.732 12.274 -7.760) 14.624 6.363 ( -0.323 15.562 -4.468) 16.193 6.540 ( -2.551 4.705 -4.296) 6.863 6.794 ( -6.659 5.237 -12.400) 15.018 6.934 ( -3.452 -14.279 -0.977) 14.723 7.145 ( 8.634 -0.562 -9.023) 12.501 7.192 ( 11.775 -5.168 -14.063) 19.056 7.305 ( 14.873 -2.839 -7.006) 16.684 7.775 ( -2.194 -2.640 9.788) 10.373 7.838 ( -2.644 6.645 -0.338) 7.160 7.939 ( 0.366 3.252 9.546) 10.091 8.025 ( -5.698 -9.743 2.239) 11.507 8.251 ( 5.961 6.402 9.727) 13.082 8.355 ( 3.022 -0.830 -7.662) 8.278 8.433 ( 2.594 3.408 6.405) 7.705 8.611 ( 5.033 -7.076 -1.615) 8.832 8.755 ( -4.937 -5.780 -1.233) 7.701 8.977 ( 3.750 -0.709 11.142) 11.778 9.243 ( -4.413 -1.941 -0.841) 4.894 9.377 ( 2.331 5.044 -10.134) 11.557 9.514 ( 2.622 -5.243 -5.683) 8.164 9.641 ( 10.078 1.206 -1.143) 10.214 9.663 ( 1.148 -2.913 -7.269) 7.914 9.843 ( -8.138 10.891 -7.449) 15.503 10.052 ( 0.103 1.122 1.399) 1.796 10.153 ( -1.614 3.449 9.367) 10.111 10.324 ( -10.378 5.311 -10.276) 15.541 10.642 ( -2.896 6.070 5.757) 8.853 10.666 ( -5.090 18.124 3.446) 19.138 10.931 ( 6.724 12.882 -3.254) 14.891 11.016 ( 5.474 10.982 -1.505) 12.363 11.110 ( -1.704 5.958 4.544) 7.684 11.330 ( -0.228 8.859 0.526) 8.878 11.396 ( -6.603 6.731 0.848) 9.467 11.502 ( -2.224 20.286 3.654) 20.732 11.631 ( 0.639 14.083 3.704) 14.576 11.771 ( -3.015 20.499 -8.430) 22.368 11.946 ( 0.754 20.521 -5.994) 21.391 12.104 ( -2.725 16.985 -4.780) 17.854 12.462 ( -1.178 18.179 2.149) 18.343 12.491 ( -1.837 7.409 -2.039) 7.901 12.547 ( 4.162 6.264 1.867) 7.749 12.623 ( 1.182 6.622 0.972) 6.796 12.795 ( 5.788 13.378 -0.489) 14.584 13.060 ( 5.596 -1.297 -7.603) 9.529 13.675 ( -6.045 -4.740 2.082) 7.959 13.678 ( -4.144 -7.242 1.124) 8.419 13.911 ( 5.724 -2.756 6.986) 9.443 14.096 ( 6.681 -6.745 -0.340) 9.500 14.290 ( -4.002 -4.497 8.987) 10.817 14.723 ( -7.886 -14.876 -2.379) 17.004 17.545 ( -0.203 -2.557 0.261) 2.578 17.653 ( -2.000 -4.394 -2.607) 5.487 17.748 ( -0.988 -4.233 1.656) 4.652 17.783 ( -1.675 -4.405 0.424) 4.732 18.442 ( 1.901 -2.296 -0.027) 2.981 18.490 ( 1.059 -3.369 0.955) 3.659 18.519 ( 1.548 -4.062 -1.111) 4.487 18.636 ( -0.185 -6.438 -2.031) 6.753 22.674 ( 0.381 8.630 -0.173) 8.640 22.692 ( 1.541 7.805 -0.516) 7.972 22.721 ( -0.305 7.797 1.521) 7.949 22.916 ( -3.052 1.129 -2.889) 4.352 27.948 ( 2.897 -2.182 1.189) 3.817 28.052 ( 3.139 -4.020 -0.984) 5.194 28.234 ( -3.242 -0.430 0.744) 3.354 28.360 ( -3.487 -3.061 -2.152) 5.115 36.108 ( 1.663 0.625 7.200) 7.416 36.234 ( -1.220 -0.291 10.262) 10.338 36.789 ( 3.905 -15.634 -7.557) 17.798 37.024 ( -1.707 -19.868 -6.166) 20.873 39.012 ( 2.597 -7.369 1.089) 7.889 39.175 ( 7.554 -11.675 -2.460) 14.121 39.511 ( -5.772 -11.675 2.517) 13.265 39.675 ( -3.897 -15.906 -1.366) 16.434 ======================= Grid point 117 (48/81) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.096 ( 8.300 7.569 6.666) 13.062 4.258 ( -6.319 3.118 12.154) 14.049 4.409 ( 7.370 6.644 14.787) 17.808 4.507 ( -1.403 6.519 24.046) 24.953 5.144 ( -0.221 13.831 7.209) 15.599 5.197 ( -4.741 14.924 5.053) 16.454 5.417 ( 5.597 26.913 9.069) 28.946 5.618 ( -12.641 18.126 6.969) 23.171 6.291 ( 3.948 17.439 -10.785) 20.881 6.340 ( -0.308 11.877 -7.198) 13.891 6.367 ( 2.755 2.419 -11.777) 12.335 6.506 ( -6.300 10.986 -9.890) 16.069 6.687 ( 2.994 -6.606 -6.004) 9.416 6.822 ( -6.646 -15.365 -0.953) 16.768 7.325 ( 7.161 1.702 -12.748) 14.720 7.371 ( 4.068 -4.268 -19.511) 20.382 7.648 ( 8.805 -1.546 2.826) 9.376 7.726 ( -0.298 -6.414 9.693) 11.627 7.786 ( 1.107 1.512 2.478) 3.107 7.919 ( -4.101 -8.066 6.432) 11.101 7.999 ( 4.655 1.381 10.736) 11.783 8.172 ( -10.387 -4.908 9.209) 14.723 8.428 ( 5.400 -3.084 -7.664) 9.870 8.526 ( 0.483 -5.300 3.288) 6.256 8.691 ( 2.662 6.154 -5.849) 8.898 8.751 ( 1.786 -1.199 -1.878) 2.856 9.073 ( 4.687 -1.704 9.803) 10.998 9.183 ( -2.687 -10.325 2.246) 10.903 9.388 ( 4.303 11.091 -9.865) 15.455 9.547 ( -6.212 11.021 -8.824) 15.424 9.665 ( 3.220 1.619 -9.797) 10.439 9.745 ( -1.844 8.269 -4.434) 9.562 9.861 ( 8.150 0.980 5.312) 9.778 10.007 ( -4.353 0.435 5.239) 6.826 10.097 ( -3.479 1.307 3.022) 4.790 10.137 ( -3.451 1.134 -9.024) 9.728 10.562 ( -2.292 8.141 7.044) 11.007 10.584 ( -3.344 7.244 5.956) 9.957 11.003 ( 1.828 3.419 1.315) 4.094 11.074 ( -3.502 2.890 -0.245) 4.548 11.152 ( 3.726 14.512 3.064) 15.293 11.187 ( -2.182 17.320 -1.011) 17.486 11.399 ( 1.506 20.592 -3.250) 20.901 11.454 ( -2.860 19.306 1.610) 19.583 11.665 ( 1.965 13.436 -1.236) 13.635 11.708 ( -2.263 15.842 -3.611) 16.406 11.972 ( 1.539 20.776 -7.960) 22.302 12.024 ( -3.534 20.165 -7.215) 21.706 12.453 ( 0.860 13.976 1.594) 14.093 12.480 ( -0.718 12.652 0.034) 12.673 12.607 ( 1.761 8.796 1.056) 9.032 12.634 ( -0.373 10.656 2.983) 11.072 12.962 ( 8.871 4.967 1.081) 10.224 13.107 ( -2.855 -0.613 -2.381) 3.768 13.585 ( -1.104 -7.622 -0.681) 7.731 13.611 ( -2.439 -8.424 -2.035) 9.003 14.032 ( 5.722 -3.104 7.462) 9.903 14.155 ( -5.092 -5.003 6.869) 9.907 14.291 ( 8.547 -8.460 0.909) 12.060 14.511 ( -11.007 -12.453 -1.136) 16.659 17.553 ( 1.147 -1.892 -0.677) 2.314 17.597 ( -2.783 -1.984 -1.981) 3.950 17.736 ( 0.020 -5.440 1.605) 5.672 17.750 ( -1.228 -5.356 0.969) 5.580 18.482 ( 1.491 -2.577 -0.472) 3.014 18.499 ( -0.161 -3.031 -0.117) 3.038 18.570 ( 2.740 -5.120 -0.617) 5.840 18.619 ( -1.572 -5.992 -1.281) 6.326 22.686 ( 0.711 8.476 0.233) 8.509 22.702 ( -0.673 8.245 0.715) 8.303 22.752 ( 3.251 6.062 -0.865) 6.933 22.834 ( -4.169 3.663 -1.919) 5.872 28.033 ( 4.821 -1.607 1.056) 5.190 28.137 ( -0.614 -2.031 -0.316) 2.145 28.149 ( 0.779 -2.552 -0.101) 2.671 28.261 ( -5.406 -3.276 -1.741) 6.557 36.152 ( 2.300 0.566 7.912) 8.259 36.199 ( -1.976 0.260 8.989) 9.207 36.885 ( 4.571 -17.293 -7.500) 19.395 36.970 ( -3.329 -18.732 -6.952) 20.256 39.129 ( 7.820 -7.697 2.034) 11.160 39.295 ( -3.517 -9.611 -0.997) 10.282 39.406 ( 3.139 -14.794 1.200) 15.171 39.555 ( -7.096 -16.067 -1.568) 17.634 ======================= Grid point 120 (49/81) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.049 ( 0.000 7.899 6.962) 10.530 4.207 ( 0.000 -1.465 10.160) 10.265 4.374 ( 0.000 2.636 19.271) 19.451 4.625 ( 0.000 -1.168 19.001) 19.037 5.369 ( 0.000 17.763 3.572) 18.119 5.706 ( 0.000 10.982 12.540) 16.669 5.907 ( 0.000 13.095 1.340) 13.164 6.084 ( 0.000 1.689 -3.859) 4.212 6.220 ( 0.000 -0.414 0.130) 0.433 6.336 ( 0.000 -1.629 2.961) 3.380 6.537 ( 0.000 -7.067 10.105) 12.331 6.795 ( 0.000 23.811 -6.556) 24.697 6.909 ( 0.000 10.310 -12.046) 15.855 6.941 ( 0.000 0.045 -16.368) 16.368 6.975 ( 0.000 -0.513 -6.221) 6.242 7.124 ( 0.000 10.480 -13.083) 16.762 7.204 ( 0.000 0.199 -21.624) 21.625 7.743 ( 0.000 -16.212 11.766) 20.032 7.764 ( 0.000 1.030 -8.390) 8.453 7.826 ( 0.000 -16.739 -3.629) 17.128 8.090 ( 0.000 6.223 13.485) 14.852 8.178 ( 0.000 -9.539 8.676) 12.895 8.200 ( 0.000 -1.138 9.962) 10.027 8.390 ( 0.000 -5.887 4.232) 7.250 8.505 ( 0.000 0.441 -3.874) 3.899 8.651 ( 0.000 -9.433 -3.898) 10.207 8.972 ( 0.000 6.167 9.465) 11.297 9.211 ( 0.000 -4.104 -5.227) 6.646 9.310 ( 0.000 -9.345 -9.045) 13.006 9.341 ( 0.000 -9.984 -3.301) 10.516 9.487 ( 0.000 7.478 -3.665) 8.328 9.664 ( 0.000 1.182 -2.172) 2.473 10.049 ( 0.000 1.388 -3.662) 3.916 10.054 ( 0.000 1.155 6.326) 6.430 10.336 ( 0.000 9.534 8.546) 12.804 10.534 ( 0.000 0.597 -4.030) 4.074 10.914 ( 0.000 6.820 6.744) 9.591 10.920 ( 0.000 8.928 0.638) 8.951 11.117 ( 0.000 3.147 -2.813) 4.221 11.197 ( 0.000 3.376 2.438) 4.164 11.232 ( 0.000 13.374 0.251) 13.376 11.289 ( 0.000 3.107 4.446) 5.425 11.564 ( 0.000 6.882 -2.698) 7.392 11.819 ( 0.000 10.647 1.905) 10.817 11.953 ( 0.000 4.823 2.327) 5.355 12.110 ( 0.000 7.006 -8.584) 11.080 12.198 ( 0.000 -1.025 -6.737) 6.814 12.311 ( 0.000 7.954 -8.720) 11.802 12.632 ( 0.000 14.899 5.864) 16.011 12.730 ( 0.000 15.410 -1.538) 15.487 12.772 ( 0.000 12.370 -4.925) 13.314 13.026 ( 0.000 4.900 -8.756) 10.034 13.062 ( 0.000 29.780 -3.016) 29.932 13.179 ( 0.000 21.697 -2.637) 21.857 13.598 ( 0.000 -8.590 9.687) 12.947 13.649 ( 0.000 -7.796 2.483) 8.182 13.722 ( 0.000 -4.924 4.335) 6.560 13.813 ( 0.000 -11.361 1.018) 11.406 14.171 ( 0.000 -11.395 7.382) 13.577 14.428 ( 0.000 -21.980 -0.217) 21.981 17.508 ( 0.000 -1.045 0.053) 1.046 17.568 ( 0.000 -4.071 -1.271) 4.265 17.711 ( 0.000 -1.415 0.996) 1.730 17.744 ( 0.000 -2.628 0.174) 2.634 18.391 ( 0.000 -0.491 0.437) 0.657 18.432 ( 0.000 -1.040 0.158) 1.052 18.439 ( 0.000 -2.272 -0.388) 2.305 18.520 ( 0.000 -4.754 -1.521) 4.992 22.796 ( 0.000 4.064 -0.090) 4.065 22.800 ( 0.000 4.068 -0.105) 4.070 22.848 ( 0.000 4.495 0.464) 4.519 22.943 ( 0.000 -0.785 -1.533) 1.722 27.887 ( 0.000 -0.478 1.038) 1.143 27.943 ( 0.000 -3.064 -0.105) 3.066 28.275 ( 0.000 0.721 0.118) 0.731 28.342 ( 0.000 -2.507 -1.419) 2.881 36.138 ( 0.000 4.365 3.446) 5.561 36.287 ( 0.000 4.518 5.291) 6.957 36.471 ( 0.000 -11.960 -3.863) 12.568 36.684 ( 0.000 -15.206 -3.140) 15.527 38.881 ( 0.000 -3.723 0.237) 3.731 38.919 ( 0.000 -5.416 -0.555) 5.445 39.403 ( 0.000 -5.212 0.777) 5.270 39.471 ( 0.000 -8.679 -0.695) 8.707 ======================= Grid point 121 (50/81) ======================= q-point: ( 0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( 5.304 7.514 7.812) 12.067 4.271 ( 5.319 -1.790 10.679) 12.064 4.372 ( -0.225 3.135 17.795) 18.070 4.611 ( -1.534 -1.720 18.660) 18.802 5.393 ( 2.141 18.442 4.126) 19.019 5.656 ( -4.057 14.041 12.208) 19.043 5.938 ( 2.478 15.840 0.682) 16.047 6.068 ( -1.922 5.381 0.871) 5.779 6.191 ( 1.168 1.438 1.850) 2.618 6.400 ( -1.056 -0.877 1.866) 2.317 6.524 ( 2.184 -9.296 2.250) 9.810 6.714 ( -7.152 8.390 -12.819) 16.908 6.782 ( -3.728 18.244 -8.534) 20.484 6.973 ( -0.144 -0.531 -7.472) 7.492 7.059 ( -0.995 3.797 -9.585) 10.357 7.136 ( 8.326 0.006 -15.422) 17.526 7.318 ( 7.080 2.726 -16.560) 18.215 7.674 ( -4.768 -16.816 10.283) 20.279 7.772 ( -1.554 -11.227 -17.612) 20.944 7.822 ( 1.134 -3.066 6.218) 7.025 8.043 ( -1.352 5.924 11.754) 13.232 8.207 ( 0.209 -7.823 13.278) 15.413 8.270 ( 3.408 -2.980 3.590) 5.778 8.400 ( -0.896 -7.684 4.596) 8.998 8.544 ( 5.128 -0.352 -3.030) 5.967 8.646 ( 0.670 -4.576 -6.571) 8.035 8.933 ( -0.722 -2.703 6.924) 7.468 9.119 ( -9.018 -8.623 1.943) 12.628 9.384 ( 12.118 -2.081 -7.015) 14.156 9.409 ( 2.782 -1.179 -13.292) 13.631 9.624 ( 8.454 3.313 -1.923) 9.281 9.726 ( 5.596 1.193 1.080) 5.823 10.030 ( -2.212 4.899 0.678) 5.418 10.053 ( -0.293 0.285 0.411) 0.580 10.265 ( -6.339 7.052 10.361) 14.045 10.416 ( -9.992 2.242 -4.087) 11.026 10.760 ( -4.774 6.946 5.062) 9.831 10.993 ( -3.760 4.683 1.123) 6.110 11.058 ( -8.763 6.884 2.324) 11.383 11.182 ( 9.634 7.994 2.621) 12.790 11.257 ( -3.196 4.601 0.497) 5.624 11.384 ( 6.181 -1.268 1.865) 6.579 11.554 ( 0.805 10.927 1.271) 11.030 11.806 ( -6.172 4.107 1.851) 7.641 11.875 ( 4.322 14.088 -3.273) 15.095 12.137 ( -1.131 14.261 -9.713) 17.291 12.283 ( 3.946 5.775 -9.025) 11.418 12.364 ( 2.946 6.677 -7.383) 10.382 12.665 ( 3.202 9.340 5.651) 11.376 12.740 ( 0.834 14.624 -2.232) 14.817 12.781 ( 1.697 14.093 -1.920) 14.324 12.922 ( -2.377 11.408 -3.388) 12.136 13.076 ( -1.545 19.757 -2.336) 19.955 13.261 ( 3.163 22.069 -1.384) 22.337 13.463 ( -5.904 -12.644 2.017) 14.100 13.548 ( -7.870 -7.643 1.308) 11.048 13.817 ( 5.937 -5.717 6.578) 10.546 13.909 ( 5.345 -11.195 1.369) 12.480 14.122 ( -4.040 -11.632 7.438) 14.385 14.355 ( -6.295 -21.157 0.277) 22.075 17.512 ( 0.476 -0.651 0.061) 0.808 17.572 ( 0.349 -3.414 -1.484) 3.739 17.687 ( -2.115 -1.802 1.078) 2.981 17.711 ( -2.590 -2.743 0.228) 3.779 18.411 ( 1.641 -0.717 0.222) 1.804 18.443 ( 0.746 -1.472 -0.060) 1.651 18.453 ( 1.203 -2.142 -0.157) 2.462 18.523 ( 0.106 -4.593 -1.258) 4.764 22.802 ( 0.440 4.116 -0.056) 4.139 22.809 ( 0.891 3.748 -0.218) 3.858 22.843 ( -0.470 4.423 0.404) 4.466 22.926 ( -1.547 -0.170 -1.350) 2.060 27.923 ( 3.227 -0.341 0.954) 3.382 27.980 ( 3.349 -2.994 -0.231) 4.499 28.236 ( -3.500 0.629 0.212) 3.562 28.302 ( -3.580 -2.538 -1.287) 4.573 36.159 ( 1.767 4.491 3.585) 6.012 36.277 ( -0.882 4.620 4.981) 6.851 36.504 ( 2.761 -12.463 -3.809) 13.321 36.672 ( -1.097 -14.981 -3.270) 15.373 38.909 ( 3.317 -2.824 0.730) 4.417 38.989 ( 5.577 -6.828 -0.973) 8.869 39.345 ( -5.200 -4.827 0.961) 7.160 39.425 ( -4.189 -8.886 -0.790) 9.856 ======================= Grid point 122 (51/81) ======================= q-point: ( 0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( 5.764 6.312 9.931) 13.103 4.329 ( -2.246 4.261 12.536) 13.430 4.424 ( 6.404 -2.287 14.629) 16.132 4.548 ( -4.518 -2.701 16.901) 17.701 5.458 ( 3.883 19.293 6.386) 20.690 5.555 ( -5.012 17.982 10.014) 21.183 5.992 ( 2.300 22.997 2.455) 23.242 6.033 ( -1.495 20.632 4.344) 21.137 6.246 ( 3.251 -7.732 3.257) 8.998 6.323 ( -4.005 -9.257 4.409) 11.008 6.579 ( 1.282 -3.943 -8.877) 9.798 6.624 ( -1.861 5.062 -13.862) 14.875 6.715 ( 0.362 14.509 -10.635) 17.993 6.832 ( -8.143 11.585 -13.214) 19.368 7.249 ( 13.127 -18.504 3.960) 23.030 7.298 ( 6.698 -0.604 -16.215) 17.554 7.389 ( -1.268 1.671 -12.941) 13.110 7.518 ( -10.277 -22.657 6.513) 25.717 7.775 ( 2.085 -4.971 -9.463) 10.890 7.825 ( -1.458 -2.154 -1.264) 2.892 8.062 ( 2.668 4.217 10.638) 11.750 8.140 ( -4.535 0.395 11.747) 12.598 8.320 ( 2.050 -5.830 3.169) 6.945 8.370 ( -2.220 -7.769 4.497) 9.247 8.678 ( 6.134 -3.142 -5.449) 8.786 8.713 ( 3.561 -1.019 -7.219) 8.114 8.908 ( -1.264 -11.882 0.794) 11.975 8.970 ( -5.615 -7.611 2.694) 9.835 9.547 ( 10.471 4.939 -8.701) 14.483 9.662 ( 12.236 -2.271 -9.306) 15.540 9.740 ( 0.156 5.588 -5.969) 8.178 9.835 ( 1.565 -1.245 -0.291) 2.021 9.966 ( -2.524 9.130 4.759) 10.601 9.993 ( -6.268 2.035 1.277) 6.713 10.126 ( -3.066 1.031 11.366) 11.818 10.199 ( -7.734 1.710 1.592) 8.080 10.716 ( 1.320 9.232 5.101) 10.630 10.831 ( -8.635 12.564 2.994) 15.537 11.001 ( 1.971 -2.321 1.930) 3.605 11.099 ( -7.030 -0.589 1.394) 7.191 11.392 ( 7.829 9.176 3.779) 12.640 11.484 ( 0.339 10.887 1.093) 10.947 11.607 ( 4.113 2.475 4.466) 6.556 11.703 ( -4.341 3.835 1.825) 6.073 11.981 ( 5.280 19.121 -8.146) 21.444 12.086 ( -3.904 18.686 -8.368) 20.843 12.324 ( 1.467 11.475 -11.283) 16.160 12.369 ( -2.043 9.478 -12.153) 15.547 12.734 ( 2.945 6.731 2.632) 7.804 12.761 ( 0.940 13.505 0.094) 13.538 12.840 ( 3.705 12.608 2.407) 13.359 12.938 ( -3.158 19.309 6.844) 20.728 13.066 ( 5.411 5.119 -4.116) 8.510 13.213 ( -6.166 12.922 0.569) 14.329 13.408 ( -1.145 -8.492 -2.132) 8.830 13.427 ( -2.251 -5.426 -2.710) 6.469 13.919 ( 3.711 -7.394 5.912) 10.169 13.981 ( -0.988 -11.571 4.165) 12.338 14.068 ( 2.494 -13.219 4.181) 14.087 14.195 ( -7.677 -18.348 1.432) 19.941 17.534 ( 1.685 0.088 -0.230) 1.703 17.572 ( -1.035 -0.608 -1.517) 1.935 17.641 ( -0.950 -3.683 1.232) 3.998 17.659 ( -1.957 -3.567 0.285) 4.079 18.445 ( 1.136 -1.023 -0.065) 1.530 18.455 ( 0.176 -1.217 -0.123) 1.235 18.486 ( 1.729 -3.157 -0.229) 3.607 18.516 ( -0.898 -4.062 -0.730) 4.223 22.814 ( 0.652 4.233 0.043) 4.283 22.828 ( -0.509 4.335 0.071) 4.366 22.840 ( 1.626 2.733 -0.344) 3.199 22.884 ( -2.191 1.257 -0.916) 2.687 28.017 ( 5.328 -0.000 0.727) 5.377 28.077 ( 5.464 -2.802 -0.566) 6.166 28.137 ( -5.463 0.342 0.461) 5.493 28.200 ( -5.635 -2.653 -0.948) 6.300 36.205 ( 2.303 4.711 3.953) 6.567 36.249 ( -1.734 4.768 4.449) 6.748 36.573 ( 3.350 -13.489 -3.752) 14.396 36.636 ( -2.365 -14.380 -3.552) 14.999 39.024 ( 7.117 -2.619 1.075) 7.659 39.130 ( 6.155 -7.301 -1.444) 9.658 39.203 ( -6.526 -4.852 1.469) 8.263 39.301 ( -7.038 -9.154 -0.915) 11.583 ======================= Grid point 125 (52/81) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( 0.000 -3.386 11.793) 12.270 4.158 ( 0.000 3.387 11.793) 12.270 4.498 ( 0.000 -8.409 15.676) 17.789 4.498 ( 0.000 8.409 15.676) 17.789 5.786 ( 0.000 -18.534 1.212) 18.573 5.786 ( 0.000 18.534 1.212) 18.573 5.934 ( 0.000 -11.996 9.894) 15.550 5.934 ( 0.000 11.996 9.894) 15.550 6.214 ( 0.000 -2.249 0.032) 2.249 6.214 ( 0.000 2.249 0.032) 2.249 6.879 ( 0.000 -17.309 -7.857) 19.008 6.879 ( 0.000 17.309 -7.857) 19.009 6.951 ( 0.000 -2.129 -10.201) 10.421 6.951 ( 0.000 2.129 -10.201) 10.421 7.171 ( 0.000 -4.298 -13.251) 13.930 7.171 ( 0.000 4.298 -13.251) 13.930 7.377 ( 0.000 -21.018 -6.156) 21.901 7.377 ( 0.000 21.018 -6.156) 21.901 7.654 ( 0.000 -11.824 0.272) 11.827 7.654 ( 0.000 11.824 0.272) 11.827 8.160 ( 0.000 -6.820 10.485) 12.508 8.160 ( 0.000 6.821 10.485) 12.508 8.204 ( 0.000 -0.818 10.415) 10.447 8.204 ( 0.000 0.818 10.415) 10.447 8.527 ( 0.000 -2.491 -5.276) 5.834 8.527 ( 0.000 2.491 -5.276) 5.834 9.116 ( 0.000 -6.873 0.811) 6.921 9.116 ( 0.000 6.874 0.811) 6.921 9.212 ( 0.000 -0.434 -8.327) 8.338 9.212 ( 0.000 0.434 -8.327) 8.338 9.627 ( 0.000 -4.852 -0.506) 4.878 9.627 ( 0.000 4.852 -0.506) 4.878 10.062 ( 0.000 -0.277 4.791) 4.799 10.062 ( 0.000 0.277 4.791) 4.799 10.487 ( 0.000 -5.102 1.290) 5.263 10.487 ( 0.000 5.103 1.290) 5.263 11.041 ( 0.000 -0.667 5.037) 5.081 11.041 ( 0.000 0.668 5.037) 5.081 11.109 ( 0.000 -1.966 2.339) 3.056 11.109 ( 0.000 1.967 2.339) 3.056 11.361 ( 0.000 -1.726 -0.074) 1.728 11.361 ( 0.000 1.727 -0.074) 1.728 11.883 ( 0.000 -18.577 -5.998) 19.521 11.883 ( 0.000 18.577 -5.998) 19.521 11.953 ( 0.000 -2.967 1.234) 3.213 11.953 ( 0.000 2.968 1.234) 3.214 12.315 ( 0.000 -4.757 -9.468) 10.596 12.315 ( 0.000 4.757 -9.468) 10.596 12.924 ( 0.000 -5.089 -1.876) 5.424 12.924 ( 0.000 5.090 -1.876) 5.425 13.000 ( 0.000 -8.594 -4.485) 9.693 13.000 ( 0.000 8.594 -4.485) 9.694 13.389 ( 0.000 -0.872 -1.842) 2.038 13.389 ( 0.000 0.872 -1.842) 2.038 13.620 ( 0.000 -4.132 2.997) 5.104 13.620 ( 0.000 4.133 2.997) 5.105 13.640 ( 0.000 -4.037 3.745) 5.507 13.640 ( 0.000 4.036 3.745) 5.506 14.029 ( 0.000 -8.577 6.168) 10.564 14.029 ( 0.000 8.577 6.168) 10.564 17.512 ( 0.000 -1.487 -0.524) 1.576 17.512 ( 0.000 1.487 -0.524) 1.576 17.706 ( 0.000 -0.936 0.546) 1.083 17.706 ( 0.000 0.936 0.546) 1.083 18.398 ( 0.000 -1.166 0.046) 1.167 18.398 ( 0.000 1.166 0.046) 1.167 18.449 ( 0.000 -2.159 -0.572) 2.234 18.449 ( 0.000 2.159 -0.572) 2.234 22.839 ( 0.000 -0.179 0.018) 0.180 22.839 ( 0.000 0.180 0.018) 0.180 22.914 ( 0.000 -2.214 -0.522) 2.274 22.914 ( 0.000 2.214 -0.522) 2.275 27.897 ( 0.000 -1.431 0.562) 1.538 27.897 ( 0.000 1.431 0.562) 1.538 28.299 ( 0.000 -1.691 -0.585) 1.789 28.299 ( 0.000 1.691 -0.585) 1.790 36.266 ( 0.000 -8.305 -0.160) 8.307 36.266 ( 0.000 8.305 -0.160) 8.307 36.431 ( 0.000 -9.842 0.620) 9.862 36.431 ( 0.000 9.842 0.620) 9.862 38.854 ( 0.000 -1.021 0.033) 1.021 38.854 ( 0.000 1.021 0.033) 1.021 39.367 ( 0.000 -1.652 -0.089) 1.654 39.367 ( 0.000 1.652 -0.089) 1.654 ======================= Grid point 127 (53/81) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( 5.082 -3.471 12.053) 13.533 4.217 ( 5.082 3.471 12.053) 13.533 4.493 ( -0.797 -7.712 15.198) 17.061 4.493 ( -0.797 7.712 15.198) 17.061 5.808 ( 1.951 -18.417 2.076) 18.637 5.808 ( 1.951 18.418 2.076) 18.637 5.933 ( -0.105 -13.985 8.971) 16.616 5.933 ( -0.105 13.985 8.972) 16.616 6.279 ( 5.733 -10.334 -0.122) 11.818 6.279 ( 5.733 10.334 -0.122) 11.818 6.758 ( -6.718 -9.196 -8.804) 14.394 6.758 ( -6.718 9.196 -8.804) 14.394 6.944 ( -2.601 -7.161 -6.244) 9.850 6.944 ( -2.601 7.161 -6.244) 9.850 7.203 ( -4.784 -5.304 -6.283) 9.513 7.203 ( -4.784 5.305 -6.283) 9.513 7.351 ( 4.771 -14.147 -11.512) 18.853 7.351 ( 4.771 14.147 -11.512) 18.853 7.669 ( 0.091 -10.925 -5.310) 12.148 7.669 ( 0.091 10.925 -5.310) 12.148 8.142 ( 0.157 -4.583 11.595) 12.469 8.142 ( 0.157 4.583 11.595) 12.469 8.251 ( 1.771 -5.012 9.397) 10.797 8.251 ( 1.771 5.012 9.397) 10.797 8.566 ( 3.610 -3.083 -5.726) 7.438 8.566 ( 3.610 3.083 -5.726) 7.438 8.958 ( -7.400 -5.626 1.251) 9.380 8.958 ( -7.400 5.626 1.251) 9.380 9.382 ( 9.443 -1.222 -10.339) 14.056 9.382 ( 9.443 1.222 -10.339) 14.056 9.706 ( 6.326 -3.060 0.999) 7.098 9.706 ( 6.326 3.061 0.999) 7.098 10.065 ( -0.099 -0.497 5.201) 5.225 10.065 ( -0.099 0.497 5.201) 5.225 10.390 ( -8.759 -4.408 1.541) 9.926 10.390 ( -8.759 4.408 1.541) 9.926 10.913 ( -4.340 -7.215 3.865) 9.264 10.913 ( -4.340 7.215 3.865) 9.264 11.226 ( -7.708 -5.584 0.155) 9.519 11.226 ( -7.708 5.584 0.155) 9.519 11.320 ( 9.175 -4.485 4.193) 11.040 11.320 ( 9.175 4.485 4.193) 11.040 11.767 ( -4.025 -7.040 1.370) 8.224 11.767 ( -4.025 7.040 1.370) 8.224 12.156 ( 9.707 -12.810 -9.083) 18.461 12.156 ( 9.707 12.811 -9.083) 18.462 12.349 ( 2.789 -6.070 -7.865) 10.319 12.349 ( 2.789 6.070 -7.865) 10.319 12.894 ( -2.553 -6.724 -1.971) 7.457 12.894 ( -2.553 6.725 -1.971) 7.458 13.007 ( 1.481 -7.583 -1.178) 7.815 13.007 ( 1.481 7.584 -1.178) 7.816 13.287 ( -6.808 -5.319 -0.419) 8.650 13.287 ( -6.808 5.319 -0.419) 8.650 13.625 ( -1.589 -9.969 -0.866) 10.132 13.625 ( -1.589 9.971 -0.866) 10.134 13.698 ( 4.451 -7.686 2.947) 9.358 13.698 ( 4.451 7.685 2.947) 9.357 13.973 ( -4.369 -7.966 7.649) 11.876 13.973 ( -4.369 7.965 7.649) 11.876 17.521 ( 0.914 -1.572 -0.442) 1.871 17.521 ( 0.914 1.572 -0.442) 1.871 17.676 ( -2.613 -0.650 0.403) 2.723 17.676 ( -2.613 0.650 0.403) 2.723 18.413 ( 1.239 -0.894 0.013) 1.528 18.413 ( 1.239 0.894 0.013) 1.528 18.456 ( 0.450 -1.929 -0.465) 2.034 18.456 ( 0.450 1.929 -0.465) 2.034 22.844 ( 0.538 -0.164 -0.029) 0.563 22.844 ( 0.538 0.164 -0.029) 0.563 22.906 ( -0.773 -1.930 -0.462) 2.130 22.906 ( -0.773 1.931 -0.462) 2.131 27.934 ( 3.383 -1.467 0.452) 3.715 27.934 ( 3.383 1.467 0.452) 3.715 28.260 ( -3.600 -1.674 -0.474) 3.999 28.260 ( -3.600 1.674 -0.474) 3.999 36.290 ( 2.093 -8.555 -0.112) 8.808 36.290 ( 2.093 8.555 -0.112) 8.808 36.422 ( -0.838 -9.763 0.524) 9.813 36.422 ( -0.838 9.763 0.524) 9.813 38.900 ( 4.222 -1.954 0.036) 4.653 38.900 ( 4.222 1.954 0.036) 4.653 39.316 ( -4.600 -1.957 -0.066) 5.000 39.316 ( -4.601 1.957 -0.066) 5.000 ======================= Grid point 129 (54/81) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( 6.028 -4.140 12.787) 14.731 4.344 ( 6.028 4.141 12.787) 14.731 4.449 ( -3.517 -5.850 13.993) 15.569 4.449 ( -3.517 5.850 13.993) 15.569 5.863 ( 2.931 -18.110 4.373) 18.859 5.863 ( 2.931 18.110 4.373) 18.859 5.917 ( -1.741 -16.873 7.204) 18.429 5.917 ( -1.741 16.873 7.204) 18.429 6.438 ( 8.594 -13.800 -2.694) 16.479 6.438 ( 8.594 13.801 -2.694) 16.479 6.617 ( -7.422 -11.445 -6.160) 14.968 6.617 ( -7.422 11.446 -6.160) 14.968 6.909 ( 1.470 -6.941 -3.701) 8.002 6.909 ( 1.470 6.941 -3.701) 8.002 7.026 ( -8.456 -13.475 -1.708) 16.000 7.026 ( -8.456 13.476 -1.708) 16.000 7.512 ( 7.352 -12.766 -13.999) 20.323 7.512 ( 7.352 12.766 -13.999) 20.323 7.632 ( -3.702 -12.828 -11.329) 17.510 7.632 ( -3.702 12.828 -11.329) 17.510 8.174 ( 2.505 -5.029 11.201) 12.531 8.174 ( 2.505 5.029 11.201) 12.531 8.236 ( -2.738 -4.325 9.303) 10.618 8.236 ( -2.738 4.325 9.303) 10.618 8.683 ( 6.952 -3.044 -4.769) 8.963 8.683 ( 6.952 3.044 -4.769) 8.963 8.826 ( -5.960 -4.715 -1.650) 7.777 8.826 ( -5.960 4.716 -1.650) 7.777 9.610 ( 11.982 -2.393 -9.392) 15.411 9.610 ( 11.982 2.393 -9.392) 15.411 9.799 ( -1.501 -2.059 -4.206) 4.918 9.799 ( -1.501 2.059 -4.206) 4.918 10.054 ( 0.786 -2.088 7.612) 7.932 10.054 ( 0.786 2.088 7.612) 7.932 10.171 ( -9.406 -3.705 5.814) 11.663 10.171 ( -9.406 3.705 5.814) 11.663 10.900 ( 3.114 -7.734 3.069) 8.884 10.900 ( 3.115 7.734 3.069) 8.885 11.029 ( -8.409 -6.666 2.037) 10.923 11.029 ( -8.409 6.667 2.037) 10.923 11.533 ( 8.984 -4.561 3.700) 10.733 11.533 ( 8.984 4.562 3.700) 10.733 11.683 ( -4.980 -4.564 3.261) 7.501 11.683 ( -4.980 4.564 3.261) 7.501 12.310 ( 5.248 -7.650 -12.068) 15.222 12.310 ( 5.248 7.651 -12.068) 15.222 12.383 ( -0.941 -3.735 -8.801) 9.607 12.383 ( -0.941 3.736 -8.801) 9.607 12.876 ( 2.248 -4.697 0.123) 5.209 12.876 ( 2.248 4.698 0.123) 5.209 12.982 ( -5.704 -8.786 2.626) 10.799 12.982 ( -5.703 8.786 2.626) 10.799 13.272 ( 7.894 -8.642 -2.398) 11.947 13.272 ( 7.894 8.642 -2.398) 11.948 13.495 ( -10.088 -6.944 -3.359) 12.700 13.495 ( -10.088 6.946 -3.359) 12.701 13.799 ( 4.531 -4.069 4.294) 7.452 13.799 ( 4.531 4.069 4.294) 7.452 13.885 ( -3.706 -4.911 7.362) 9.594 13.885 ( -3.706 4.911 7.362) 9.594 17.553 ( 2.129 -1.490 -0.218) 2.608 17.553 ( 2.129 1.490 -0.218) 2.608 17.611 ( -3.119 -0.950 0.094) 3.262 17.611 ( -3.119 0.950 0.094) 3.262 18.442 ( 1.268 -0.781 -0.088) 1.492 18.442 ( 1.268 0.781 -0.088) 1.492 18.460 ( -0.283 -1.374 -0.259) 1.427 18.460 ( -0.283 1.374 -0.259) 1.427 22.861 ( 0.986 -0.563 -0.154) 1.145 22.861 ( 0.986 0.563 -0.154) 1.146 22.884 ( -1.131 -1.258 -0.317) 1.721 22.884 ( -1.131 1.259 -0.317) 1.721 28.033 ( 5.553 -1.546 0.167) 5.767 28.033 ( 5.553 1.546 0.167) 5.767 28.157 ( -5.686 -1.624 -0.186) 5.916 28.157 ( -5.686 1.624 -0.186) 5.916 36.344 ( 2.645 -9.074 0.044) 9.452 36.344 ( 2.645 9.074 0.044) 9.452 36.394 ( -1.876 -9.513 0.290) 9.700 36.394 ( -1.876 9.513 0.290) 9.700 39.025 ( 7.098 -2.692 0.026) 7.591 39.025 ( 7.098 2.692 0.026) 7.591 39.184 ( -7.328 -2.531 -0.015) 7.753 39.184 ( -7.328 2.531 -0.015) 7.753 ======================= Grid point 170 (55/81) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.000 0.000 31.717) 31.717 2.039 ( 0.000 0.000 -29.549) 29.549 2.148 ( 0.000 0.000 47.146) 47.146 2.962 ( 0.000 0.000 -11.937) 11.937 3.223 ( 0.000 0.000 4.988) 4.988 3.331 ( 0.000 0.000 -4.706) 4.706 3.527 ( 0.000 0.000 13.182) 13.182 3.834 ( 0.000 0.000 -9.238) 9.238 4.559 ( 0.000 0.000 18.563) 18.563 4.918 ( 0.000 0.000 -15.130) 15.130 4.971 ( 0.000 0.000 31.971) 31.971 5.382 ( 0.000 0.000 19.371) 19.371 5.649 ( 0.000 0.000 21.437) 21.437 5.719 ( 0.000 0.000 4.383) 4.383 5.796 ( 0.000 0.000 -2.956) 2.956 5.882 ( 0.000 0.000 8.764) 8.764 6.002 ( 0.000 0.000 -31.000) 31.000 6.145 ( 0.000 0.000 -21.441) 21.441 6.463 ( 0.000 0.000 5.380) 5.380 6.884 ( 0.000 0.000 3.347) 3.347 6.967 ( 0.000 0.000 -4.264) 4.264 7.117 ( 0.000 0.000 -44.972) 44.972 7.277 ( 0.000 0.000 4.243) 4.243 7.363 ( 0.000 0.000 -3.606) 3.606 7.960 ( 0.000 0.000 15.635) 15.635 8.050 ( 0.000 0.000 0.273) 0.273 8.058 ( 0.000 0.000 -0.395) 0.395 8.277 ( 0.000 0.000 -14.007) 14.007 8.900 ( 0.000 0.000 1.557) 1.557 8.932 ( 0.000 0.000 -1.417) 1.417 8.980 ( 0.000 0.000 0.651) 0.651 8.999 ( 0.000 0.000 -0.622) 0.622 9.129 ( 0.000 0.000 3.701) 3.701 9.134 ( 0.000 0.000 9.114) 9.114 9.482 ( 0.000 0.000 16.400) 16.400 9.970 ( 0.000 0.000 -10.814) 10.814 10.098 ( 0.000 0.000 -1.776) 1.776 10.106 ( 0.000 0.000 6.323) 6.323 10.343 ( 0.000 0.000 -6.303) 6.303 10.381 ( 0.000 0.000 -9.233) 9.233 10.787 ( 0.000 0.000 2.183) 2.183 10.895 ( 0.000 0.000 -9.869) 9.869 11.218 ( 0.000 0.000 0.330) 0.330 11.225 ( 0.000 0.000 -0.347) 0.347 11.452 ( 0.000 0.000 0.147) 0.147 11.455 ( 0.000 0.000 -0.123) 0.123 12.081 ( 0.000 0.000 0.708) 0.708 12.091 ( 0.000 0.000 0.146) 0.146 12.235 ( 0.000 0.000 -2.080) 2.080 12.281 ( 0.000 0.000 -3.993) 3.993 12.443 ( 0.000 0.000 0.165) 0.165 12.448 ( 0.000 0.000 -0.241) 0.241 12.533 ( 0.000 0.000 0.645) 0.645 12.547 ( 0.000 0.000 -0.588) 0.588 13.306 ( 0.000 0.000 18.805) 18.805 13.527 ( 0.000 0.000 -5.074) 5.074 13.541 ( 0.000 0.000 14.218) 14.218 13.901 ( 0.000 0.000 -16.648) 16.648 15.155 ( 0.000 0.000 21.248) 21.248 15.553 ( 0.000 0.000 -15.347) 15.347 17.930 ( 0.000 0.000 6.691) 6.691 18.085 ( 0.000 0.000 -7.586) 7.586 18.225 ( 0.000 0.000 3.672) 3.672 18.335 ( 0.000 0.000 -7.301) 7.301 18.987 ( 0.000 0.000 1.924) 1.924 19.050 ( 0.000 0.000 -2.199) 2.199 19.277 ( 0.000 0.000 4.936) 4.936 19.366 ( 0.000 0.000 -2.463) 2.463 21.051 ( 0.000 0.000 0.406) 0.406 21.060 ( 0.000 0.000 -0.463) 0.463 21.083 ( 0.000 0.000 0.077) 0.077 21.084 ( 0.000 0.000 -0.019) 0.019 28.381 ( 0.000 0.000 -0.064) 0.064 28.402 ( 0.000 0.000 -1.993) 1.993 28.610 ( 0.000 0.000 3.138) 3.138 28.669 ( 0.000 0.000 -2.240) 2.240 37.059 ( 0.000 0.000 29.304) 29.304 37.671 ( 0.000 0.000 -26.486) 26.486 39.718 ( 0.000 0.000 9.390) 9.390 39.909 ( 0.000 0.000 -7.410) 7.410 40.433 ( 0.000 0.000 6.392) 6.392 40.629 ( 0.000 0.000 -11.271) 11.271 41.950 ( 0.000 0.000 7.865) 7.865 42.102 ( 0.000 0.000 -6.341) 6.341 ======================= Grid point 171 (56/81) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 13.930 0.000 26.704) 30.119 2.114 ( 6.398 0.000 -26.371) 27.136 2.389 ( 21.953 0.000 36.805) 42.855 3.039 ( -15.618 0.000 6.236) 16.817 3.059 ( 9.889 0.000 -22.323) 24.415 3.165 ( -12.867 0.000 -4.873) 13.759 3.872 ( 32.020 0.000 25.761) 41.097 4.202 ( 20.928 0.000 -10.947) 23.618 4.730 ( 13.235 0.000 13.969) 19.243 4.807 ( -24.266 0.000 26.619) 36.020 5.000 ( -9.222 0.000 29.764) 31.160 5.006 ( 6.905 0.000 -11.776) 13.651 5.325 ( -16.688 0.000 -7.377) 18.246 5.686 ( -2.905 0.000 4.264) 5.160 5.757 ( -3.448 0.000 -2.486) 4.251 5.967 ( -5.475 0.000 1.667) 5.723 6.066 ( 13.443 0.000 -7.336) 15.315 6.396 ( -6.133 0.000 -3.284) 6.957 6.689 ( 30.525 0.000 -3.712) 30.750 6.904 ( 1.787 0.000 2.218) 2.848 6.972 ( 0.379 0.000 -3.876) 3.895 7.229 ( 12.506 0.000 -31.598) 33.983 7.256 ( -1.675 0.000 3.505) 3.885 7.326 ( -3.111 0.000 -2.932) 4.275 7.786 ( -25.014 0.000 3.004) 25.194 7.846 ( -29.114 0.000 -3.807) 29.362 8.061 ( 0.962 0.000 0.506) 1.087 8.071 ( 0.993 0.000 -0.348) 1.052 8.807 ( -17.973 0.000 7.663) 19.538 8.868 ( -14.816 0.000 -0.134) 14.817 8.900 ( 0.070 0.000 1.246) 1.247 8.906 ( -10.899 0.000 11.159) 15.599 8.927 ( -0.480 0.000 -1.177) 1.271 9.035 ( -5.315 0.000 2.973) 6.090 9.196 ( -11.195 0.000 2.558) 11.484 9.549 ( -15.242 0.000 -24.988) 29.270 10.266 ( 4.940 0.000 9.799) 10.974 10.363 ( 2.391 0.000 8.071) 8.418 10.520 ( 15.727 0.000 -3.274) 16.064 10.655 ( 1.948 0.000 -10.004) 10.192 10.882 ( 14.082 0.000 0.927) 14.113 11.039 ( 22.163 0.000 -13.178) 25.785 11.227 ( 0.846 0.000 0.285) 0.892 11.234 ( 0.744 0.000 -0.298) 0.802 11.441 ( -0.924 0.000 0.099) 0.929 11.443 ( -1.000 0.000 -0.084) 1.004 11.964 ( -0.559 0.000 5.592) 5.620 12.094 ( 2.880 0.000 -5.855) 6.525 12.344 ( 5.986 0.000 6.955) 9.177 12.447 ( 0.319 0.000 0.143) 0.349 12.451 ( 0.248 0.000 -0.189) 0.312 12.484 ( 6.567 0.000 -3.436) 7.412 12.533 ( -0.002 0.000 0.523) 0.523 12.544 ( -0.219 0.000 -0.494) 0.541 13.212 ( -6.726 0.000 19.494) 20.621 13.484 ( -5.677 0.000 2.985) 6.414 13.658 ( 7.137 0.000 6.824) 9.874 14.062 ( 16.884 0.000 -21.874) 27.632 14.925 ( -19.465 0.000 19.802) 27.767 15.334 ( -17.129 0.000 -18.511) 25.221 17.997 ( 1.384 0.000 4.057) 4.287 18.068 ( 2.215 0.000 -2.519) 3.354 18.361 ( 6.289 0.000 1.865) 6.560 18.446 ( 13.248 0.000 -4.249) 13.913 18.941 ( -3.259 0.000 3.050) 4.464 19.005 ( -3.717 0.000 0.179) 3.722 19.313 ( 1.731 0.000 0.686) 1.862 19.377 ( 0.549 0.000 -3.490) 3.533 21.053 ( 0.207 0.000 0.367) 0.422 21.062 ( 0.105 0.000 -0.407) 0.420 21.080 ( -0.183 0.000 0.123) 0.220 21.083 ( -0.125 0.000 -0.081) 0.149 28.395 ( 1.200 0.000 0.344) 1.249 28.423 ( 1.717 0.000 -1.972) 2.615 28.598 ( -0.935 0.000 2.547) 2.713 28.655 ( -1.275 0.000 -2.449) 2.761 37.114 ( 5.044 0.000 29.955) 30.377 37.665 ( -1.777 0.000 -15.283) 15.386 38.889 ( -40.609 0.000 16.529) 43.844 39.304 ( -35.132 0.000 -17.554) 39.273 40.808 ( 16.270 0.000 8.465) 18.340 41.059 ( 12.067 0.000 -15.498) 19.642 42.242 ( 20.809 0.000 1.229) 20.845 42.312 ( 17.627 0.000 -5.009) 18.325 ======================= Grid point 172 (57/81) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 19.320 0.000 15.481) 24.757 2.215 ( -2.620 0.000 -9.968) 10.307 2.727 ( -6.653 0.000 2.252) 7.024 2.863 ( -13.695 0.000 -8.112) 15.917 3.006 ( 33.223 0.000 24.383) 41.210 3.406 ( 16.309 0.000 -10.604) 19.453 3.899 ( -25.145 0.000 14.565) 29.059 4.157 ( -24.765 0.000 -7.488) 25.872 4.941 ( 29.020 0.000 15.591) 32.943 5.012 ( 11.091 0.000 6.682) 12.948 5.124 ( 1.568 0.000 -3.615) 3.940 5.132 ( 24.043 0.000 -2.868) 24.213 5.324 ( 11.080 0.000 39.126) 40.665 5.624 ( -1.424 0.000 2.490) 2.868 5.665 ( -4.379 0.000 -1.263) 4.558 5.771 ( -11.025 0.000 -1.356) 11.109 6.064 ( -8.250 0.000 0.423) 8.261 6.316 ( -16.708 0.000 -5.760) 17.673 6.907 ( -8.701 0.000 16.685) 18.818 6.950 ( 2.068 0.000 -0.421) 2.110 6.976 ( -0.283 0.000 -2.705) 2.720 7.186 ( -16.160 0.000 -3.388) 16.511 7.227 ( -0.442 0.000 1.657) 1.715 7.255 ( -2.880 0.000 -0.894) 3.015 7.541 ( 24.237 0.000 -12.887) 27.451 7.779 ( 21.868 0.000 -22.169) 31.139 8.083 ( 0.790 0.000 0.512) 0.942 8.088 ( 0.339 0.000 0.067) 0.346 8.233 ( -31.052 0.000 -7.838) 32.026 8.380 ( -27.769 0.000 -14.051) 31.122 8.824 ( -0.017 0.000 7.906) 7.906 8.867 ( -4.321 0.000 4.321) 6.111 8.904 ( 0.337 0.000 0.441) 0.555 8.915 ( -0.594 0.000 -0.495) 0.773 9.220 ( 5.704 0.000 2.335) 6.164 9.353 ( -6.582 0.000 -9.930) 11.914 10.320 ( 1.117 0.000 12.219) 12.270 10.348 ( -1.815 0.000 10.508) 10.664 10.650 ( 2.542 0.000 -16.818) 17.009 10.677 ( 0.410 0.000 -17.973) 17.977 11.247 ( 0.727 0.000 0.126) 0.738 11.250 ( 0.487 0.000 -0.128) 0.504 11.300 ( 16.532 0.000 7.256) 18.054 11.416 ( 7.305 0.000 -3.216) 7.981 11.421 ( -0.682 0.000 0.018) 0.683 11.422 ( -0.735 0.000 -0.023) 0.736 12.061 ( 6.484 0.000 6.133) 8.926 12.149 ( -0.582 0.000 -1.288) 1.413 12.444 ( 5.259 0.000 6.871) 8.652 12.454 ( 0.247 0.000 0.074) 0.258 12.455 ( 0.119 0.000 -0.057) 0.132 12.533 ( -1.072 0.000 0.345) 1.126 12.534 ( 0.121 0.000 0.186) 0.222 12.538 ( -0.276 0.000 -0.218) 0.351 13.105 ( -0.307 0.000 9.953) 9.957 13.268 ( -12.763 0.000 -3.198) 13.158 13.912 ( 18.590 0.000 25.069) 31.210 14.381 ( -16.215 0.000 16.399) 23.061 14.540 ( 11.696 0.000 -23.908) 26.616 14.938 ( -18.988 0.000 -27.025) 33.029 18.025 ( 1.743 0.000 2.411) 2.975 18.064 ( -1.749 0.000 -1.038) 2.034 18.584 ( 10.467 0.000 7.025) 12.605 18.661 ( 4.572 0.000 -1.243) 4.738 18.883 ( -1.360 0.000 5.152) 5.329 18.918 ( -4.018 0.000 6.383) 7.542 19.326 ( 0.846 0.000 -6.893) 6.945 19.367 ( -1.874 0.000 -7.811) 8.032 21.059 ( 0.284 0.000 0.225) 0.362 21.063 ( -0.048 0.000 -0.136) 0.144 21.077 ( -0.052 0.000 0.035) 0.063 21.079 ( -0.181 0.000 -0.122) 0.218 28.428 ( 1.719 0.000 1.137) 2.061 28.450 ( 0.176 0.000 -0.327) 0.372 28.587 ( 0.449 0.000 -0.166) 0.479 28.618 ( -1.963 0.000 -2.446) 3.136 37.273 ( 9.886 0.000 30.476) 32.040 37.520 ( -11.657 0.000 19.692) 22.884 38.443 ( -1.371 0.000 -13.825) 13.893 38.683 ( -21.421 0.000 -24.410) 32.476 41.035 ( 6.590 0.000 2.040) 6.899 41.128 ( -2.041 0.000 -6.658) 6.964 42.585 ( 10.248 0.000 0.207) 10.250 42.628 ( 7.071 0.000 -4.182) 8.215 ======================= Grid point 175 (58/81) ======================= q-point: ( 0.00 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 0.000 45.043 22.852) 50.508 2.230 ( 0.000 10.694 38.992) 40.432 2.515 ( 0.000 38.291 -20.228) 43.305 3.047 ( 0.000 10.111 -18.302) 20.909 3.553 ( 0.000 13.565 17.041) 21.781 3.661 ( 0.000 39.602 4.344) 39.840 3.818 ( 0.000 34.806 -5.504) 35.239 3.862 ( 0.000 4.270 -6.431) 7.720 4.793 ( 0.000 21.297 16.143) 26.723 4.965 ( 0.000 2.766 25.531) 25.681 5.155 ( 0.000 18.461 -5.069) 19.144 5.408 ( 0.000 2.629 19.896) 20.069 5.630 ( 0.000 -1.396 26.237) 26.274 5.845 ( 0.000 4.102 -1.948) 4.541 5.867 ( 0.000 2.166 0.275) 2.183 5.981 ( 0.000 16.227 11.310) 19.780 6.109 ( 0.000 8.302 -50.651) 51.327 6.237 ( 0.000 16.169 -5.770) 17.167 6.409 ( 0.000 -2.615 5.704) 6.275 7.026 ( 0.000 -5.467 -41.000) 41.363 7.068 ( 0.000 16.932 2.832) 17.168 7.148 ( 0.000 16.837 -4.405) 17.403 7.499 ( 0.000 17.926 1.089) 17.959 7.563 ( 0.000 17.117 -2.487) 17.297 7.936 ( 0.000 -0.732 14.800) 14.818 8.143 ( 0.000 5.817 -2.830) 6.469 8.156 ( 0.000 9.171 4.324) 10.139 8.317 ( 0.000 6.095 -12.421) 13.836 8.863 ( 0.000 -2.374 1.557) 2.839 8.884 ( 0.000 -5.336 1.369) 5.509 9.003 ( 0.000 -9.560 3.451) 10.164 9.007 ( 0.000 -6.006 5.263) 7.986 9.067 ( 0.000 6.568 1.019) 6.647 9.094 ( 0.000 6.384 -1.033) 6.467 9.446 ( 0.000 -3.246 18.122) 18.411 9.926 ( 0.000 -3.632 -9.834) 10.483 10.040 ( 0.000 -5.977 7.026) 9.224 10.060 ( 0.000 -3.432 -2.937) 4.517 10.257 ( 0.000 -7.550 -7.186) 10.423 10.288 ( 0.000 -7.660 -8.458) 11.411 10.764 ( 0.000 -1.778 1.223) 2.158 10.847 ( 0.000 -4.115 -8.429) 9.380 11.221 ( 0.000 -1.369 -0.302) 1.402 11.266 ( 0.000 0.861 -4.584) 4.665 11.528 ( 0.000 7.255 1.944) 7.511 11.579 ( 0.000 10.355 -2.716) 10.706 12.064 ( 0.000 -2.608 0.833) 2.738 12.068 ( 0.000 -1.025 0.236) 1.052 12.164 ( 0.000 -2.641 -1.187) 2.895 12.193 ( 0.000 -4.755 -2.688) 5.463 12.517 ( 0.000 2.264 1.609) 2.778 12.521 ( 0.000 4.638 2.052) 5.072 12.638 ( 0.000 7.985 -0.178) 7.987 12.642 ( 0.000 10.773 -0.284) 10.777 13.353 ( 0.000 -0.577 22.039) 22.047 13.508 ( 0.000 2.026 11.032) 11.217 13.640 ( 0.000 8.603 -6.133) 10.566 13.833 ( 0.000 -5.554 -18.084) 18.918 15.069 ( 0.000 -7.936 20.290) 21.786 15.420 ( 0.000 -11.294 -11.045) 15.797 17.913 ( 0.000 -1.595 6.272) 6.471 18.058 ( 0.000 -2.386 -6.938) 7.337 18.200 ( 0.000 -2.431 3.478) 4.243 18.302 ( 0.000 -3.133 -6.682) 7.380 18.940 ( 0.000 -4.296 0.976) 4.405 18.972 ( 0.000 -6.113 -0.566) 6.139 19.212 ( 0.000 -5.591 4.005) 6.878 19.296 ( 0.000 -6.087 -2.926) 6.754 21.162 ( 0.000 9.907 0.572) 9.924 21.174 ( 0.000 10.089 -0.541) 10.103 21.256 ( 0.000 16.170 4.025) 16.663 21.412 ( 0.000 27.280 -12.445) 29.984 28.359 ( 0.000 -2.149 -0.078) 2.151 28.380 ( 0.000 -2.123 -1.994) 2.913 28.576 ( 0.000 -3.145 3.137) 4.442 28.635 ( 0.000 -3.042 -2.279) 3.801 37.018 ( 0.000 -4.028 28.745) 29.026 37.620 ( 0.000 -5.019 -26.156) 26.633 39.470 ( 0.000 -42.048 17.277) 45.459 39.544 ( 0.000 -17.398 4.606) 17.998 40.252 ( 0.000 -11.260 3.237) 11.716 40.450 ( 0.000 -15.445 -13.305) 20.386 41.813 ( 0.000 -13.188 7.501) 15.172 41.952 ( 0.000 -14.022 -5.419) 15.033 ======================= Grid point 176 (59/81) ======================= q-point: ( 0.20 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 11.635 44.837 20.669) 50.724 2.443 ( 18.815 11.713 24.661) 33.157 2.597 ( 8.147 35.067 -12.311) 38.048 3.104 ( 7.346 8.193 -20.997) 23.706 3.472 ( -15.557 36.933 3.487) 40.227 3.549 ( -10.829 33.509 -0.913) 35.227 3.978 ( 27.535 12.367 18.740) 35.529 4.224 ( 20.401 3.137 -8.759) 22.422 4.770 ( -20.266 1.867 22.965) 30.685 5.012 ( -2.268 16.683 12.331) 20.870 5.028 ( 1.528 7.370 30.188) 31.112 5.203 ( 4.108 12.904 -5.657) 14.676 5.366 ( -10.197 9.988 -5.046) 15.139 5.843 ( -2.897 4.557 8.307) 9.908 5.923 ( -1.928 16.431 3.713) 16.955 6.083 ( -1.547 11.031 -24.859) 27.241 6.098 ( 7.008 10.853 10.923) 16.918 6.365 ( -3.646 -0.173 -4.276) 5.622 6.678 ( 27.648 0.111 -5.990) 28.290 7.081 ( 2.679 15.074 0.622) 15.323 7.151 ( 0.163 16.471 -3.995) 16.949 7.165 ( 12.223 -1.497 -26.975) 29.653 7.471 ( -1.781 16.905 1.484) 17.063 7.529 ( -2.120 16.807 -2.883) 17.184 7.757 ( -15.328 -1.705 2.879) 15.689 7.796 ( -36.345 -1.049 -1.296) 36.383 8.170 ( 1.063 9.134 2.433) 9.512 8.235 ( -0.531 13.859 -3.561) 14.320 8.776 ( -14.781 -5.593 8.248) 17.827 8.835 ( -5.659 -2.118 1.716) 6.281 8.866 ( -6.761 2.588 6.348) 9.628 8.904 ( -7.266 -2.379 2.694) 8.106 8.987 ( -9.266 2.784 -0.451) 9.686 9.026 ( -6.857 0.911 -2.067) 7.220 9.197 ( -2.659 2.019 5.629) 6.544 9.544 ( -13.079 -0.016 -23.869) 27.218 10.171 ( 5.559 -9.109 9.577) 14.338 10.265 ( 1.943 -8.129 5.310) 9.902 10.475 ( 15.671 -4.402 -2.819) 16.520 10.584 ( 3.642 -5.962 -9.311) 11.640 10.845 ( 11.351 -2.868 0.062) 11.708 10.950 ( 18.030 -6.114 -8.540) 20.866 11.280 ( 3.991 2.731 0.153) 4.838 11.318 ( 4.106 4.949 -3.571) 7.356 11.518 ( -0.396 6.452 1.952) 6.752 11.569 ( -0.392 9.802 -2.848) 10.215 11.922 ( -2.528 -3.164 5.271) 6.647 12.053 ( 1.566 -3.467 -6.579) 7.600 12.239 ( 2.392 -4.611 6.026) 7.956 12.348 ( 3.872 -5.600 -3.422) 7.620 12.527 ( 1.873 3.472 3.242) 5.106 12.577 ( 3.481 4.927 -0.216) 6.037 12.632 ( -0.447 6.854 0.779) 6.913 12.647 ( 0.304 9.680 -0.001) 9.684 13.236 ( -8.139 0.946 17.119) 18.979 13.438 ( -6.600 -2.929 3.956) 8.233 13.705 ( 5.234 4.225 6.080) 9.067 14.043 ( 17.656 -1.002 -20.127) 26.792 14.860 ( -17.839 -6.006 19.192) 26.882 15.233 ( -15.053 -8.777 -15.125) 23.074 17.966 ( 1.533 -2.930 4.240) 5.377 18.038 ( 0.946 -2.789 -2.454) 3.833 18.330 ( 5.359 -2.997 1.161) 6.248 18.388 ( 11.982 -5.167 -2.434) 13.274 18.900 ( -2.812 -3.986 2.406) 5.439 18.938 ( -3.044 -5.039 0.361) 5.898 19.247 ( 2.030 -5.995 0.142) 6.331 19.301 ( 0.101 -6.500 -3.843) 7.552 21.168 ( 0.570 10.246 0.631) 10.282 21.182 ( 0.805 10.697 -0.691) 10.749 21.244 ( -1.008 15.393 3.281) 15.771 21.361 ( -4.037 23.959 -8.568) 25.763 28.373 ( 1.256 -2.120 0.373) 2.492 28.402 ( 1.801 -2.021 -2.076) 3.411 28.563 ( -1.050 -3.260 2.599) 4.299 28.619 ( -1.375 -3.195 -2.429) 4.243 37.070 ( 4.867 -4.202 29.378) 30.073 37.610 ( -2.141 -5.380 -14.240) 15.372 38.695 ( -34.137 -18.617 19.294) 43.407 39.152 ( -31.374 -14.731 -18.268) 39.180 40.621 ( 18.891 -16.862 9.085) 26.903 40.864 ( 15.419 -17.255 -14.056) 27.075 42.026 ( 17.765 -20.077 4.159) 27.129 42.109 ( 12.798 -17.802 -3.435) 22.193 ======================= Grid point 177 (60/81) ======================= q-point: ( 0.40 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 17.165 43.029 14.058) 48.413 2.689 ( -0.594 40.731 -7.908) 41.496 3.045 ( 25.703 8.240 21.221) 34.334 3.129 ( -0.681 32.215 2.616) 32.329 3.260 ( -13.393 34.885 -7.333) 38.081 3.454 ( 15.515 5.479 -10.763) 19.662 3.907 ( -26.148 1.172 14.418) 29.883 4.161 ( -25.546 0.818 -7.322) 26.587 4.956 ( 28.119 3.294 12.490) 30.943 5.101 ( 21.714 4.228 -2.325) 22.243 5.306 ( 6.596 20.472 5.338) 22.160 5.330 ( 2.816 9.650 21.960) 24.152 5.407 ( 12.708 16.765 14.697) 25.663 5.725 ( -6.086 0.177 -0.670) 6.125 5.871 ( -0.892 19.106 2.378) 19.274 5.942 ( -6.015 24.219 -0.859) 24.969 6.046 ( -6.284 1.141 4.561) 7.848 6.379 ( -15.456 6.990 -5.564) 17.852 6.855 ( -7.523 -2.605 13.592) 15.752 7.105 ( -7.112 8.583 -5.601) 12.475 7.139 ( 2.526 13.145 -0.224) 13.387 7.177 ( -8.130 6.976 3.208) 11.183 7.384 ( 0.976 12.646 -4.443) 13.440 7.444 ( -6.064 13.773 -8.185) 17.131 7.588 ( 21.931 7.694 -7.556) 24.439 7.749 ( 21.999 -0.356 -16.721) 27.634 8.178 ( -2.764 7.643 0.221) 8.131 8.220 ( -9.248 8.308 2.346) 12.651 8.254 ( -20.168 5.416 -12.985) 24.591 8.382 ( -24.121 0.536 -12.798) 27.312 8.833 ( 0.269 1.474 8.668) 8.797 8.844 ( -0.312 -0.083 5.420) 5.430 8.906 ( -1.001 -0.433 -0.585) 1.238 8.924 ( -2.650 0.918 -0.448) 2.840 9.273 ( 5.682 5.121 1.501) 7.795 9.391 ( -5.112 3.861 -9.376) 11.356 10.243 ( 1.552 -7.734 11.916) 14.291 10.266 ( -0.946 -7.409 10.041) 12.515 10.594 ( 1.208 -4.714 -16.763) 17.455 10.600 ( 0.645 -6.294 -17.236) 18.360 11.196 ( 12.702 -5.465 4.329) 14.490 11.250 ( 7.116 -5.383 -0.658) 8.947 11.333 ( 0.160 6.461 0.692) 6.500 11.364 ( -1.402 5.869 -1.836) 6.308 11.553 ( 3.694 7.420 2.532) 8.667 11.595 ( 1.536 8.587 -0.786) 8.759 11.998 ( 7.248 -5.147 6.458) 10.988 12.108 ( -0.324 -3.559 -2.083) 4.137 12.254 ( 2.940 -9.299 4.731) 10.840 12.352 ( -2.658 -6.356 -2.676) 7.391 12.570 ( 1.471 3.848 1.264) 4.309 12.603 ( -1.223 5.021 -1.655) 5.426 12.633 ( 0.713 6.049 2.845) 6.723 12.646 ( -0.515 7.122 1.485) 7.294 13.114 ( -0.900 1.976 7.539) 7.845 13.236 ( -10.490 -1.914 -2.255) 10.899 13.932 ( 16.858 2.130 23.262) 28.807 14.359 ( -14.122 -1.828 15.659) 21.165 14.499 ( 10.300 -3.665 -20.271) 23.032 14.872 ( -17.773 -5.872 -23.608) 30.128 17.991 ( 1.480 -3.262 2.406) 4.315 18.027 ( -1.684 -3.586 -0.690) 4.022 18.518 ( 8.863 -6.041 6.762) 12.680 18.584 ( 4.054 -7.188 0.691) 8.281 18.849 ( -1.247 -3.164 3.897) 5.172 18.869 ( -2.807 -3.661 3.153) 5.588 19.266 ( 0.547 -5.516 -6.184) 8.305 19.291 ( -1.201 -6.662 -6.913) 9.676 21.186 ( 1.109 11.263 0.910) 11.354 21.206 ( 0.562 12.050 -0.272) 12.067 21.222 ( 0.025 14.432 0.772) 14.452 21.274 ( -3.619 17.920 -3.532) 18.620 28.409 ( 1.828 -1.917 1.126) 2.878 28.432 ( 0.236 -1.752 -0.451) 1.824 28.549 ( 0.349 -3.625 -0.058) 3.642 28.580 ( -2.068 -3.482 -2.404) 4.710 37.223 ( 9.451 -4.812 29.951) 31.773 37.460 ( -11.386 -5.793 20.305) 23.989 38.339 ( 0.336 -10.012 -14.211) 17.387 38.580 ( -20.230 -10.001 -24.591) 33.376 40.888 ( 7.616 -13.725 2.580) 15.907 40.983 ( -1.091 -13.502 -6.354) 14.962 42.347 ( 8.804 -23.005 0.196) 24.633 42.362 ( 7.480 -23.907 -1.136) 25.076 ======================= Grid point 180 (61/81) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 0.000 20.795 33.477) 39.410 2.738 ( 0.000 26.178 18.769) 32.211 3.252 ( 0.000 26.307 -14.855) 30.212 3.402 ( 0.000 22.696 -27.181) 35.411 4.017 ( 0.000 35.714 12.650) 37.888 4.138 ( 0.000 27.384 -3.833) 27.651 4.635 ( 0.000 52.312 3.269) 52.415 4.731 ( 0.000 50.327 -5.545) 50.632 5.063 ( 0.000 8.690 38.979) 39.935 5.280 ( 0.000 21.657 9.347) 23.589 5.498 ( 0.000 7.516 21.757) 23.019 5.552 ( 0.000 15.246 1.847) 15.358 5.608 ( 0.000 -0.030 27.444) 27.444 5.890 ( 0.000 2.929 2.538) 3.876 5.950 ( 0.000 7.548 -11.063) 13.393 6.186 ( 0.000 2.680 11.028) 11.349 6.297 ( 0.000 13.912 -53.662) 55.435 6.678 ( 0.000 30.008 9.780) 31.561 6.831 ( 0.000 36.683 -8.470) 37.648 6.921 ( 0.000 -4.077 -40.565) 40.769 7.498 ( 0.000 23.949 3.180) 24.159 7.592 ( 0.000 25.188 -5.042) 25.687 7.775 ( 0.000 1.257 14.271) 14.327 7.908 ( 0.000 19.193 2.147) 19.313 8.154 ( 0.000 24.122 -1.763) 24.186 8.207 ( 0.000 2.928 -8.120) 8.631 8.349 ( 0.000 7.838 12.824) 15.029 8.584 ( 0.000 16.800 -8.223) 18.704 8.776 ( 0.000 -0.159 4.795) 4.797 8.800 ( 0.000 -6.071 6.192) 8.672 8.831 ( 0.000 0.019 2.583) 2.583 9.001 ( 0.000 1.782 -7.124) 7.343 9.234 ( 0.000 10.233 -1.350) 10.322 9.254 ( 0.000 8.097 -2.107) 8.367 9.378 ( 0.000 -2.081 21.427) 21.527 9.853 ( 0.000 -3.102 -4.670) 5.606 9.910 ( 0.000 -5.083 5.958) 7.832 9.987 ( 0.000 -2.864 -10.179) 10.574 10.087 ( 0.000 -8.099 -7.637) 11.132 10.129 ( 0.000 -7.293 -7.010) 10.116 10.736 ( 0.000 -0.714 -0.582) 0.921 10.756 ( 0.000 -4.320 -4.585) 6.300 11.133 ( 0.000 -6.738 -2.191) 7.085 11.182 ( 0.000 -8.589 -7.193) 11.204 11.702 ( 0.000 8.122 1.021) 8.185 11.780 ( 0.000 7.554 -6.169) 9.753 11.985 ( 0.000 -5.153 2.354) 5.665 12.013 ( 0.000 -5.334 -0.161) 5.337 12.171 ( 0.000 2.874 0.845) 2.996 12.177 ( 0.000 4.434 0.551) 4.468 12.589 ( 0.000 0.086 5.823) 5.824 12.598 ( 0.000 5.944 4.835) 7.662 12.761 ( 0.000 -4.273 0.481) 4.300 12.798 ( 0.000 6.915 -3.478) 7.740 13.289 ( 0.000 2.602 18.433) 18.616 13.683 ( 0.000 10.703 9.941) 14.608 13.684 ( 0.000 -2.316 -14.940) 15.119 13.842 ( 0.000 5.468 -6.888) 8.794 14.872 ( 0.000 -10.358 19.498) 22.078 15.188 ( 0.000 -9.914 -8.877) 13.307 17.873 ( 0.000 -2.235 5.549) 5.982 18.003 ( 0.000 -2.907 -6.220) 6.866 18.131 ( 0.000 -4.260 2.809) 5.103 18.215 ( 0.000 -5.384 -5.554) 7.736 18.832 ( 0.000 -6.053 0.088) 6.053 18.849 ( 0.000 -5.832 -1.090) 5.933 19.073 ( 0.000 -7.854 3.555) 8.621 19.152 ( 0.000 -7.680 -3.466) 8.426 21.431 ( 0.000 16.141 0.631) 16.153 21.448 ( 0.000 16.354 -0.923) 16.380 21.647 ( 0.000 20.872 9.498) 22.932 21.962 ( 0.000 24.549 -21.535) 32.656 28.296 ( 0.000 -4.006 0.082) 4.007 28.320 ( 0.000 -3.670 -2.121) 4.238 28.499 ( 0.000 -4.105 3.218) 5.216 28.564 ( 0.000 -3.652 -2.892) 4.658 36.903 ( 0.000 -7.147 27.087) 28.014 37.475 ( 0.000 -9.161 -25.107) 26.726 38.524 ( 0.000 -45.542 41.180) 61.399 39.039 ( 0.000 -30.980 -9.274) 32.338 40.025 ( 0.000 -11.923 -1.796) 12.058 40.107 ( 0.000 -17.182 -10.265) 20.015 41.446 ( 0.000 -22.344 6.947) 23.399 41.572 ( 0.000 -22.845 -4.866) 23.357 ======================= Grid point 181 (62/81) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 16.312 17.317 26.504) 35.615 2.930 ( 15.596 28.802 14.735) 35.915 3.234 ( 4.221 22.540 -7.259) 24.054 3.553 ( 9.946 34.761 -25.899) 44.474 4.222 ( 10.242 30.827 10.944) 34.278 4.344 ( -8.032 36.662 -1.062) 37.547 4.410 ( 0.202 25.503 1.779) 25.565 4.531 ( -9.466 39.873 -7.000) 41.575 4.841 ( -20.708 6.243 21.611) 30.575 5.154 ( -14.170 9.953 15.160) 23.014 5.251 ( 2.021 6.157 20.799) 21.785 5.632 ( 14.906 29.636 11.124) 34.989 5.830 ( 0.325 8.920 15.271) 17.688 5.850 ( 5.302 18.703 -1.864) 19.529 6.090 ( -0.465 2.017 -2.189) 3.013 6.292 ( 7.486 14.197 -20.799) 26.272 6.516 ( 14.854 13.849 2.212) 20.429 6.679 ( -0.574 27.842 -5.576) 28.400 6.835 ( 4.696 24.173 -7.069) 25.620 7.113 ( 17.477 0.108 -30.464) 35.122 7.488 ( -3.739 19.656 1.573) 20.070 7.548 ( -7.089 17.312 -2.299) 18.848 7.654 ( -9.692 5.494 8.173) 13.817 7.815 ( -18.439 6.721 -5.283) 20.325 7.914 ( -7.433 21.539 5.497) 23.439 8.065 ( -6.451 26.766 -5.782) 28.133 8.372 ( 1.544 8.832 8.910) 12.641 8.537 ( -4.062 12.302 -5.138) 13.937 8.711 ( -7.961 2.641 1.308) 8.489 8.755 ( -7.914 -3.752 -0.877) 8.802 8.867 ( 3.826 2.736 10.539) 11.541 8.983 ( -14.818 1.009 3.756) 15.320 9.019 ( -4.691 8.497 1.691) 9.852 9.139 ( -10.270 9.325 -3.513) 14.310 9.294 ( 3.457 6.904 1.568) 7.879 9.555 ( -7.276 0.415 -20.592) 21.844 9.963 ( 4.216 -8.909 7.697) 12.506 10.089 ( 1.344 -8.100 -0.125) 8.212 10.357 ( 14.080 -6.382 -1.860) 15.570 10.456 ( 7.960 -6.384 -8.578) 13.330 10.783 ( 8.542 -3.188 -0.108) 9.118 10.850 ( 13.795 -3.021 -3.979) 14.672 11.252 ( 9.518 -5.908 -0.218) 11.204 11.313 ( 11.018 -6.182 -5.460) 13.763 11.665 ( -4.092 6.677 1.860) 8.049 11.744 ( -3.589 5.846 -5.027) 8.505 11.863 ( -4.541 -3.009 5.505) 7.744 11.972 ( -0.517 -4.612 -4.644) 6.565 12.200 ( -0.491 0.901 4.952) 5.057 12.277 ( 3.394 -0.255 -1.976) 3.936 12.614 ( -0.171 -2.123 7.010) 7.326 12.636 ( 4.115 6.062 5.293) 9.039 12.736 ( -1.712 -4.832 -1.214) 5.269 12.770 ( -2.095 6.278 -4.441) 7.971 13.262 ( -2.004 6.106 12.709) 14.241 13.455 ( -9.747 4.920 -2.409) 11.181 13.815 ( 4.969 6.379 8.415) 11.670 14.047 ( 15.284 1.186 -13.082) 20.153 14.713 ( -13.760 -7.541 18.788) 24.479 15.048 ( -11.870 -8.104 -11.710) 18.539 17.892 ( 0.630 -4.043 4.068) 5.770 17.966 ( -1.453 -4.199 -2.519) 5.108 18.244 ( 4.129 -5.464 0.270) 6.854 18.266 ( 8.583 -6.373 -0.915) 10.729 18.798 ( -1.955 -5.475 1.545) 6.016 18.837 ( -1.757 -5.086 -1.643) 5.626 19.095 ( 1.694 -8.448 0.945) 8.668 19.153 ( -0.199 -7.690 -4.214) 8.771 21.444 ( 1.224 16.429 0.912) 16.500 21.468 ( 1.948 16.866 -1.337) 17.031 21.621 ( -2.211 20.351 7.822) 21.914 21.869 ( -7.641 23.849 -16.168) 29.809 28.312 ( 1.449 -3.871 0.562) 4.171 28.345 ( 2.037 -3.588 -2.361) 4.753 28.482 ( -1.449 -4.362 2.838) 5.402 28.543 ( -1.793 -3.956 -2.835) 5.187 36.951 ( 4.395 -7.443 27.662) 28.981 37.454 ( -3.204 -9.909 -10.672) 14.911 38.204 ( -17.232 -27.701 22.239) 39.482 38.743 ( -22.557 -24.672 -20.614) 39.275 40.231 ( 17.479 -19.834 8.745) 27.846 40.458 ( 16.663 -21.452 -12.353) 29.840 41.531 ( 8.083 -27.466 7.068) 29.490 41.648 ( 6.353 -26.731 -4.181) 27.792 ======================= Grid point 182 (63/81) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 28.737 11.628 19.703) 36.732 3.328 ( 19.442 36.580 13.200) 43.478 3.466 ( 14.331 25.132 0.228) 28.932 3.777 ( 2.919 36.354 -15.761) 39.731 3.932 ( -10.771 35.121 2.150) 36.799 3.963 ( -26.063 13.971 12.623) 32.153 4.059 ( -18.472 27.188 -3.413) 33.046 4.253 ( -23.811 17.795 -11.859) 32.003 5.095 ( 22.999 10.613 8.758) 26.801 5.186 ( 15.260 4.234 -0.267) 15.839 5.519 ( 10.364 13.244 27.030) 31.834 5.653 ( -10.391 0.321 3.970) 11.128 5.883 ( 6.846 26.936 6.157) 28.466 5.929 ( 0.125 20.602 0.030) 20.602 6.098 ( 8.965 22.654 11.144) 26.792 6.463 ( 7.359 27.385 -1.660) 28.405 6.590 ( -7.096 35.831 1.458) 36.556 6.657 ( -17.883 22.656 4.404) 29.198 6.855 ( -1.510 5.238 7.257) 9.076 7.171 ( -14.933 5.023 -4.346) 16.344 7.365 ( 8.973 6.879 -9.190) 14.570 7.501 ( 3.888 11.876 -4.094) 13.150 7.578 ( 9.559 6.114 -15.579) 19.274 7.685 ( 0.986 16.561 -11.206) 20.020 7.907 ( 3.465 17.195 -0.801) 17.558 7.963 ( -1.530 21.344 -4.599) 21.887 8.312 ( -16.367 7.255 1.045) 17.933 8.365 ( -15.253 12.058 -1.369) 19.491 8.433 ( -2.230 6.290 -3.642) 7.602 8.504 ( -5.849 13.780 -9.909) 17.952 8.844 ( -0.560 0.201 3.543) 3.592 8.874 ( -3.108 -0.751 1.016) 3.355 8.984 ( 2.535 11.934 6.460) 13.805 9.035 ( -2.060 12.315 2.306) 12.697 9.398 ( 5.419 6.178 -0.971) 8.275 9.491 ( -2.730 4.481 -9.211) 10.601 10.050 ( 3.177 -9.009 8.545) 12.816 10.094 ( -0.974 -8.127 6.033) 10.169 10.465 ( 1.624 -6.397 -13.556) 15.077 10.491 ( -0.883 -5.272 -14.853) 15.785 11.085 ( 11.904 -5.470 3.594) 13.584 11.129 ( 8.071 -5.949 -0.171) 10.028 11.441 ( 3.618 2.253 1.002) 4.378 11.483 ( -1.277 3.559 -2.486) 4.525 11.594 ( 3.503 -4.204 6.430) 8.444 11.695 ( -1.383 -1.284 -1.408) 2.355 11.893 ( 8.582 -5.792 5.095) 11.539 12.014 ( 2.415 -4.831 -5.398) 7.636 12.136 ( -3.003 -0.721 7.726) 8.321 12.247 ( -6.603 -3.766 -1.989) 7.857 12.565 ( -0.899 -4.916 1.600) 5.248 12.639 ( -6.135 -3.219 -4.115) 8.058 12.736 ( 3.716 5.539 2.478) 7.115 12.772 ( 0.369 4.743 -0.685) 4.807 13.235 ( 0.161 10.379 3.962) 11.111 13.290 ( -5.254 8.686 -0.769) 10.180 13.999 ( 12.927 4.347 19.063) 23.440 14.330 ( -10.533 -0.552 15.139) 18.452 14.418 ( 8.821 -3.744 -13.308) 16.399 14.745 ( -15.503 -5.654 -16.994) 23.688 17.902 ( 0.807 -5.216 2.113) 5.685 17.931 ( -1.753 -5.593 -0.314) 5.870 18.367 ( 5.527 -8.283 4.785) 11.048 18.406 ( 2.838 -9.598 1.807) 10.171 18.771 ( -0.208 -4.216 1.523) 4.487 18.792 ( -1.909 -4.059 -0.228) 4.491 19.123 ( 0.826 -8.173 -3.959) 9.119 19.140 ( -0.862 -7.681 -5.446) 9.455 21.482 ( 2.310 17.252 1.830) 17.502 21.519 ( 0.949 17.902 -0.198) 17.928 21.581 ( 0.729 19.724 1.593) 19.802 21.693 ( -7.735 21.658 -7.622) 24.228 28.354 ( 2.260 -3.428 1.275) 4.300 28.384 ( 0.531 -2.853 -0.808) 3.012 28.454 ( -0.028 -5.320 0.302) 5.329 28.494 ( -2.622 -4.676 -2.613) 5.964 37.087 ( 8.299 -8.462 28.331) 30.710 37.295 ( -10.413 -10.219 21.511) 25.992 38.063 ( 3.916 -16.641 -15.237) 22.900 38.298 ( -16.974 -17.385 -24.626) 34.594 40.531 ( 9.502 -20.358 3.999) 22.819 40.633 ( 0.467 -20.017 -5.592) 20.789 41.728 ( 7.423 -35.031 3.118) 35.944 41.772 ( 3.199 -33.549 -1.138) 33.720 ======================= Grid point 185 (64/81) ======================= q-point: ( 0.00 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 0.000 24.409 20.638) 31.964 3.144 ( 0.000 17.422 11.844) 21.067 3.592 ( 0.000 13.890 0.927) 13.921 3.868 ( 0.000 24.016 -21.532) 32.256 4.730 ( 0.000 23.724 0.840) 23.739 4.828 ( 0.000 32.181 -7.498) 33.043 5.359 ( 0.000 7.869 16.167) 17.981 5.381 ( 0.000 26.940 30.807) 40.924 5.593 ( 0.000 4.945 34.974) 35.321 5.687 ( 0.000 14.988 3.932) 15.495 5.769 ( 0.000 32.694 11.532) 34.668 5.783 ( 0.000 20.320 -1.785) 20.399 5.783 ( 0.000 33.109 2.408) 33.197 5.947 ( 0.000 -3.130 -2.530) 4.025 6.096 ( 0.000 17.447 -5.136) 18.187 6.479 ( 0.000 20.890 3.450) 21.173 6.719 ( 0.000 26.724 -43.583) 51.124 6.874 ( 0.000 1.966 -38.628) 38.678 7.255 ( 0.000 21.149 16.085) 26.571 7.566 ( 0.000 30.402 -12.419) 32.840 7.808 ( 0.000 7.383 10.217) 12.606 8.003 ( 0.000 21.540 5.223) 22.164 8.025 ( 0.000 9.180 -9.094) 12.922 8.143 ( 0.000 12.687 -6.489) 14.250 8.367 ( 0.000 10.708 10.363) 14.902 8.469 ( 0.000 7.325 14.920) 16.621 8.626 ( 0.000 17.539 -4.984) 18.234 8.674 ( 0.000 0.415 2.967) 2.995 8.928 ( 0.000 12.201 6.604) 13.873 8.942 ( 0.000 14.919 0.832) 14.942 8.977 ( 0.000 -3.042 -5.947) 6.680 9.064 ( 0.000 19.463 -7.125) 20.726 9.389 ( 0.000 5.854 0.725) 5.898 9.394 ( 0.000 9.239 15.305) 17.878 9.563 ( 0.000 19.240 -4.682) 19.801 9.834 ( 0.000 2.704 1.634) 3.159 9.912 ( 0.000 6.624 2.296) 7.011 9.967 ( 0.000 1.369 -15.997) 16.055 10.008 ( 0.000 2.162 -8.682) 8.947 10.017 ( 0.000 -3.070 -5.754) 6.521 10.697 ( 0.000 -1.029 2.057) 2.300 10.718 ( 0.000 -2.507 0.794) 2.629 10.968 ( 0.000 -11.198 -5.026) 12.275 11.013 ( 0.000 -2.453 -8.136) 8.498 11.786 ( 0.000 -1.244 0.893) 1.531 11.856 ( 0.000 -0.181 -4.295) 4.299 11.880 ( 0.000 -6.643 -0.209) 6.646 11.883 ( 0.000 -3.561 0.712) 3.631 12.266 ( 0.000 6.206 5.075) 8.017 12.311 ( 0.000 4.139 1.239) 4.321 12.476 ( 0.000 -17.653 4.291) 18.167 12.485 ( 0.000 -6.324 2.659) 6.861 12.740 ( 0.000 5.289 6.631) 8.482 12.894 ( 0.000 1.995 -7.106) 7.380 13.488 ( 0.000 13.203 9.663) 16.361 13.732 ( 0.000 6.721 -11.729) 13.518 13.850 ( 0.000 4.878 5.770) 7.556 13.908 ( 0.000 1.345 0.201) 1.360 14.706 ( 0.000 -5.087 20.463) 21.086 15.051 ( 0.000 -3.936 -11.367) 12.029 17.823 ( 0.000 -2.781 4.989) 5.712 17.940 ( 0.000 -3.387 -5.487) 6.448 18.036 ( 0.000 -4.914 1.609) 5.171 18.091 ( 0.000 -6.645 -3.971) 7.741 18.708 ( 0.000 -6.004 0.461) 6.022 18.737 ( 0.000 -5.316 -2.091) 5.713 18.908 ( 0.000 -8.263 3.817) 9.102 18.995 ( 0.000 -7.803 -4.144) 8.835 21.784 ( 0.000 18.220 0.598) 18.229 21.803 ( 0.000 18.157 -1.088) 18.190 22.051 ( 0.000 18.578 10.849) 21.514 22.369 ( 0.000 16.039 -19.261) 25.064 28.204 ( 0.000 -4.972 0.748) 5.028 28.238 ( 0.000 -4.347 -2.428) 4.979 28.422 ( 0.000 -3.387 3.169) 4.639 28.494 ( 0.000 -3.162 -3.679) 4.851 36.740 ( 0.000 -8.745 24.379) 25.900 37.261 ( 0.000 -11.814 -23.194) 26.030 37.729 ( 0.000 -33.213 41.061) 52.813 38.379 ( 0.000 -32.832 -19.114) 37.991 39.766 ( 0.000 -13.571 -3.034) 13.906 39.773 ( 0.000 -15.980 -4.835) 16.695 40.949 ( 0.000 -26.072 6.334) 26.830 41.064 ( 0.000 -26.698 -4.471) 27.069 ======================= Grid point 186 (65/81) ======================= q-point: ( 0.20 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 11.441 22.226 17.209) 30.349 3.306 ( 12.050 13.933 1.360) 18.471 3.682 ( 12.366 21.310 14.131) 28.403 4.114 ( 17.277 22.034 -22.823) 36.123 4.725 ( -7.852 16.429 5.512) 19.024 4.749 ( -19.374 11.430 8.487) 24.042 5.108 ( 1.559 22.310 3.334) 22.612 5.140 ( -17.474 13.138 7.277) 23.041 5.241 ( -21.535 33.665 3.138) 40.087 5.413 ( -17.064 27.948 -9.809) 34.183 5.668 ( 8.719 20.187 31.262) 38.221 5.820 ( -4.575 5.613 11.568) 13.647 5.981 ( 6.244 10.659 9.411) 15.529 6.264 ( 23.019 17.534 10.823) 30.894 6.540 ( 21.367 28.608 -1.017) 35.721 6.674 ( 7.690 26.124 -4.778) 27.649 6.770 ( 11.692 20.070 -28.867) 37.052 6.996 ( 12.289 1.981 -22.712) 25.899 7.290 ( 2.219 18.855 3.292) 19.268 7.496 ( -5.268 23.674 -10.035) 26.247 7.707 ( -11.975 12.512 3.375) 17.645 7.816 ( -15.116 14.705 -2.736) 21.266 7.971 ( -4.469 16.486 2.801) 17.309 8.075 ( -4.997 14.763 -5.440) 16.508 8.312 ( -2.762 14.326 10.628) 18.050 8.505 ( 1.759 6.844 11.273) 13.305 8.542 ( -6.487 14.250 -5.234) 16.508 8.699 ( -4.311 11.402 -1.997) 12.353 8.812 ( -2.812 10.016 5.665) 11.845 8.885 ( -6.360 15.190 -1.459) 16.532 9.016 ( 2.359 1.119 -1.838) 3.193 9.104 ( -1.076 15.823 -5.090) 16.656 9.208 ( -8.841 13.147 11.615) 19.645 9.360 ( -2.957 8.985 4.992) 10.695 9.538 ( -3.997 8.394 -11.460) 14.756 9.552 ( -4.273 13.841 -13.737) 19.963 9.885 ( 3.812 0.591 2.763) 4.745 10.011 ( 0.961 1.706 -4.604) 5.003 10.272 ( 11.399 -0.397 -2.005) 11.581 10.343 ( 9.395 -3.647 -7.848) 12.773 10.737 ( 8.874 -0.669 4.638) 10.035 10.821 ( 8.749 -1.337 -0.552) 8.868 11.090 ( 10.818 -8.909 -4.244) 14.642 11.118 ( 9.974 -10.074 -5.079) 15.059 11.716 ( -9.910 -2.626 2.406) 10.530 11.771 ( -7.632 -4.845 0.708) 9.067 11.784 ( -3.010 -2.469 2.642) 4.705 11.895 ( 1.806 -2.892 -6.213) 7.087 12.236 ( -2.777 0.270 7.040) 7.573 12.322 ( -2.409 1.667 -1.538) 3.308 12.437 ( -1.210 -11.501 7.347) 13.701 12.554 ( 3.087 -6.870 -2.834) 8.047 12.771 ( 2.888 5.666 4.151) 7.595 12.867 ( -1.564 3.042 -5.136) 6.171 13.485 ( -0.276 12.935 6.942) 14.683 13.611 ( -5.965 9.192 -3.412) 11.477 13.931 ( 4.894 4.469 7.452) 9.973 14.068 ( 12.456 0.764 -6.349) 14.002 14.600 ( -9.288 -2.867 19.477) 21.768 14.937 ( -9.941 -3.015 -11.698) 15.644 17.809 ( -1.195 -4.237 3.272) 5.485 17.875 ( -3.552 -4.723 -2.568) 6.444 18.120 ( 3.914 -6.471 0.454) 7.576 18.138 ( 4.893 -6.393 -1.215) 8.142 18.689 ( -0.938 -5.264 1.035) 5.447 18.734 ( -0.844 -5.082 -2.744) 5.837 18.924 ( 1.489 -8.242 2.284) 8.681 18.998 ( -0.033 -7.682 -4.336) 8.821 21.800 ( 1.543 18.267 1.022) 18.361 21.830 ( 2.509 18.264 -1.620) 18.506 22.020 ( -2.620 18.593 9.082) 20.858 22.281 ( -7.424 16.965 -15.467) 24.128 28.223 ( 1.765 -4.773 1.066) 5.200 28.263 ( 2.208 -4.339 -2.605) 5.522 28.400 ( -1.970 -3.644 2.947) 5.083 28.468 ( -2.306 -3.411 -3.487) 5.395 36.781 ( 3.760 -9.089 24.865) 26.740 37.221 ( -4.694 -12.960 -3.461) 14.212 37.658 ( -2.956 -25.226 16.032) 30.035 38.206 ( -13.736 -27.570 -22.476) 38.131 39.853 ( 11.687 -17.548 6.658) 22.110 40.036 ( 14.048 -19.993 -10.084) 26.434 40.955 ( 1.058 -28.885 6.873) 29.710 41.075 ( 0.744 -29.231 -4.435) 29.575 ======================= Grid point 187 (66/81) ======================= q-point: ( 0.40 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( 23.052 16.535 14.728) 31.965 3.673 ( 22.839 11.737 -0.966) 25.697 3.999 ( -2.662 17.087 17.214) 24.400 4.199 ( -2.880 19.090 13.072) 23.315 4.264 ( -27.614 8.628 -0.408) 28.933 4.527 ( 11.221 29.248 -19.584) 36.944 4.653 ( -20.347 28.788 8.483) 36.259 4.915 ( -16.593 28.775 -14.938) 36.421 5.279 ( 7.500 5.894 11.571) 14.996 5.372 ( 7.431 14.872 8.981) 18.896 5.652 ( -3.035 2.130 -0.046) 3.708 5.770 ( -5.450 9.279 -0.983) 10.806 6.277 ( 22.563 28.073 21.821) 42.111 6.597 ( 0.831 34.148 3.412) 34.328 6.749 ( 7.317 24.259 8.715) 26.795 6.811 ( 6.614 16.484 1.807) 17.853 7.134 ( -12.053 29.109 1.356) 31.535 7.198 ( -0.209 19.491 1.596) 19.557 7.277 ( 8.657 23.009 6.544) 25.440 7.351 ( 4.392 8.924 -6.482) 11.872 7.536 ( 7.904 4.948 -24.143) 25.881 7.601 ( -6.415 23.507 -12.851) 27.548 7.826 ( -8.328 11.081 -1.452) 13.937 7.907 ( -11.133 6.304 -6.933) 14.552 8.245 ( -2.258 13.500 2.764) 13.964 8.329 ( -9.812 12.532 -2.814) 16.163 8.541 ( 4.523 16.015 7.322) 18.180 8.680 ( -1.868 21.565 -0.051) 21.646 8.732 ( -1.271 14.803 -5.124) 15.716 8.811 ( -2.241 10.822 -5.653) 12.413 8.945 ( -3.651 16.334 1.894) 16.843 8.975 ( -6.422 19.457 -1.507) 20.545 9.221 ( 5.125 4.178 9.695) 11.736 9.305 ( -2.627 7.891 9.226) 12.421 9.527 ( 2.108 4.359 -14.361) 15.155 9.552 ( -0.157 12.779 -10.416) 16.487 9.979 ( 3.654 2.030 3.568) 5.496 10.021 ( -0.406 2.046 0.635) 2.180 10.370 ( 1.532 -1.682 -8.167) 8.478 10.399 ( -0.928 -2.900 -10.519) 10.951 10.982 ( 8.725 -4.508 3.906) 10.569 11.018 ( 6.352 -4.999 0.995) 8.144 11.341 ( 12.955 -10.599 3.643) 17.130 11.431 ( 11.797 -9.793 -3.894) 15.819 11.515 ( -6.701 -2.577 3.825) 8.135 11.588 ( -7.283 -4.553 -1.698) 8.756 11.727 ( -0.556 -10.153 7.763) 12.793 11.880 ( -6.065 -11.085 -5.113) 13.631 12.169 ( -1.489 1.456 5.807) 6.170 12.217 ( -5.032 1.089 0.257) 5.155 12.447 ( 2.459 -4.930 -0.259) 5.516 12.534 ( -4.379 -4.865 -6.924) 9.528 12.840 ( 2.818 4.493 1.827) 5.609 12.865 ( 0.461 5.093 -0.771) 5.172 13.484 ( 0.483 12.358 2.578) 12.634 13.517 ( -2.852 11.458 -0.333) 11.812 14.093 ( 10.320 4.647 14.358) 18.282 14.346 ( -6.058 1.947 12.455) 13.987 14.365 ( 7.542 -1.181 -5.503) 9.411 14.670 ( -14.154 -1.817 -12.043) 18.673 17.791 ( -0.073 -5.623 1.284) 5.768 17.813 ( -2.094 -5.911 -0.593) 6.299 18.199 ( 2.975 -8.291 2.689) 9.210 18.218 ( 1.535 -8.857 1.131) 9.060 18.685 ( 0.568 -4.254 0.304) 4.302 18.707 ( -1.337 -4.269 -1.402) 4.688 18.959 ( 1.545 -7.849 -1.687) 8.175 18.987 ( -0.978 -7.472 -4.033) 8.547 21.848 ( 2.827 18.375 2.260) 18.728 21.892 ( 1.107 18.378 -0.109) 18.411 21.975 ( 0.960 18.631 1.817) 18.744 22.100 ( -8.423 18.226 -8.302) 21.727 28.275 ( 2.910 -4.275 1.693) 5.441 28.321 ( 2.000 -3.447 -1.910) 4.419 28.348 ( -1.623 -4.864 1.426) 5.322 28.404 ( -3.457 -4.050 -3.116) 6.170 36.895 ( 6.784 -10.242 25.562) 28.361 37.063 ( -8.622 -12.351 21.828) 26.520 37.698 ( 6.383 -18.973 -16.182) 25.740 37.906 ( -12.692 -20.809 -23.540) 33.886 40.113 ( 10.060 -20.399 5.031) 23.295 40.217 ( 1.429 -20.518 -4.643) 21.085 41.011 ( 3.814 -34.887 3.685) 35.288 41.074 ( -1.376 -34.367 -2.209) 34.465 ======================= Grid point 190 (67/81) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( 0.000 15.596 5.533) 16.548 3.492 ( 0.000 17.411 3.394) 17.739 3.999 ( 0.000 27.951 16.800) 32.611 4.387 ( 0.000 27.291 -14.305) 30.813 4.994 ( 0.000 7.749 14.646) 16.570 5.143 ( 0.000 -0.324 12.884) 12.888 5.558 ( 0.000 14.877 -8.947) 17.360 5.628 ( 0.000 -0.096 21.240) 21.241 5.707 ( 0.000 3.549 8.194) 8.929 5.840 ( 0.000 4.210 3.803) 5.673 5.873 ( 0.000 8.811 -1.873) 9.008 6.360 ( 0.000 18.030 -0.703) 18.044 6.365 ( 0.000 25.827 2.538) 25.951 6.411 ( 0.000 9.219 -22.341) 24.169 6.533 ( 0.000 34.099 20.816) 39.951 6.882 ( 0.000 19.543 6.623) 20.635 7.114 ( 0.000 20.599 -17.507) 27.034 7.244 ( 0.000 19.271 -38.361) 42.930 7.434 ( 0.000 -0.415 16.949) 16.954 7.837 ( 0.000 1.673 -18.914) 18.988 8.061 ( 0.000 14.925 10.399) 18.191 8.233 ( 0.000 14.901 3.362) 15.275 8.283 ( 0.000 6.896 7.362) 10.087 8.313 ( 0.000 5.444 -2.030) 5.810 8.613 ( 0.000 0.013 7.616) 7.616 8.716 ( 0.000 12.419 15.149) 19.589 8.748 ( 0.000 16.482 -1.423) 16.543 8.822 ( 0.000 0.172 -12.910) 12.911 8.882 ( 0.000 3.941 1.260) 4.137 9.223 ( 0.000 -2.136 -16.571) 16.708 9.230 ( 0.000 14.234 11.643) 18.390 9.377 ( 0.000 23.335 -3.719) 23.630 9.646 ( 0.000 17.423 9.353) 19.775 9.761 ( 0.000 20.736 4.134) 21.144 9.942 ( 0.000 2.723 -3.976) 4.819 9.948 ( 0.000 14.349 -12.503) 19.032 10.053 ( 0.000 13.423 -1.294) 13.485 10.105 ( 0.000 17.243 -10.289) 20.079 10.165 ( 0.000 12.890 0.166) 12.891 10.210 ( 0.000 16.481 -4.164) 16.999 10.662 ( 0.000 -4.375 -0.318) 4.386 10.671 ( 0.000 4.291 -0.932) 4.391 10.879 ( 0.000 7.845 8.375) 11.476 11.090 ( 0.000 8.690 -10.454) 13.594 11.689 ( 0.000 -6.264 3.866) 7.361 11.721 ( 0.000 -7.625 4.062) 8.640 11.807 ( 0.000 -5.919 -2.159) 6.301 11.807 ( 0.000 -6.035 -5.166) 7.944 12.195 ( 0.000 -6.899 4.041) 7.996 12.215 ( 0.000 -3.896 1.861) 4.318 12.395 ( 0.000 5.986 7.289) 9.431 12.551 ( 0.000 6.208 -5.636) 8.385 12.781 ( 0.000 -1.761 3.422) 3.849 12.865 ( 0.000 -4.326 -5.250) 6.803 13.735 ( 0.000 10.287 6.595) 12.219 13.889 ( 0.000 7.321 -7.063) 10.172 13.892 ( 0.000 0.382 4.418) 4.435 13.927 ( 0.000 0.889 1.068) 1.390 14.666 ( 0.000 -0.014 18.669) 18.669 14.995 ( 0.000 -2.694 -11.786) 12.090 17.755 ( 0.000 -4.071 4.262) 5.894 17.858 ( 0.000 -5.025 -4.957) 7.059 17.943 ( 0.000 -4.178 0.348) 4.192 17.961 ( 0.000 -5.874 -1.550) 6.075 18.595 ( 0.000 -5.164 1.151) 5.291 18.634 ( 0.000 -4.819 -2.455) 5.409 18.748 ( 0.000 -7.434 3.870) 8.381 18.841 ( 0.000 -7.473 -4.556) 8.752 22.141 ( 0.000 16.757 0.400) 16.762 22.156 ( 0.000 16.464 -0.931) 16.490 22.383 ( 0.000 14.221 8.969) 16.813 22.625 ( 0.000 9.768 -13.486) 16.652 28.104 ( 0.000 -4.754 1.573) 5.008 28.149 ( 0.000 -4.378 -2.588) 5.086 28.363 ( 0.000 -2.465 2.873) 3.785 28.436 ( 0.000 -2.694 -3.925) 4.761 36.562 ( 0.000 -8.639 20.717) 22.446 37.010 ( 0.000 -12.747 -20.269) 23.944 37.167 ( 0.000 -23.036 32.998) 40.243 37.756 ( 0.000 -28.510 -20.693) 35.228 39.466 ( 0.000 -14.265 -1.484) 14.342 39.491 ( 0.000 -13.420 -3.032) 13.758 40.428 ( 0.000 -24.831 5.407) 25.413 40.528 ( 0.000 -25.766 -3.881) 26.056 ======================= Grid point 191 (68/81) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 11.845 16.014 3.427) 20.211 3.572 ( 7.765 17.267 3.959) 19.342 4.149 ( 13.608 26.350 19.043) 35.244 4.555 ( 11.836 22.520 -14.142) 29.107 4.868 ( -18.145 3.098 17.819) 25.620 4.952 ( -10.088 7.829 8.560) 15.373 5.288 ( -16.248 8.115 7.033) 19.476 5.515 ( -1.510 14.011 1.876) 14.216 5.611 ( -7.677 1.209 -0.043) 7.771 5.827 ( -11.321 14.330 -2.474) 18.429 5.906 ( -8.459 9.524 6.862) 14.469 6.045 ( -10.873 18.554 -8.315) 23.057 6.398 ( 17.492 4.503 9.735) 20.519 6.644 ( 11.724 34.360 18.351) 40.679 6.830 ( 18.271 1.698 -21.985) 28.636 7.185 ( 14.635 14.262 -5.088) 21.059 7.228 ( 2.360 22.076 -10.423) 24.527 7.329 ( 17.905 28.119 -4.055) 33.581 7.464 ( 3.278 0.469 0.202) 3.318 7.681 ( -11.111 4.475 -7.798) 14.293 8.090 ( -0.349 20.349 0.783) 20.367 8.163 ( -5.955 14.868 3.226) 16.338 8.251 ( -4.662 10.411 0.631) 11.424 8.271 ( -2.661 9.737 3.478) 10.676 8.546 ( -7.482 8.855 9.355) 14.897 8.641 ( -4.238 1.084 -4.471) 6.255 8.705 ( -2.089 9.249 9.016) 13.084 8.874 ( 1.598 -0.798 -9.490) 9.657 8.980 ( 7.604 9.595 5.347) 13.359 9.185 ( -2.774 19.586 8.626) 21.580 9.246 ( 1.419 -0.654 -11.246) 11.354 9.356 ( -2.214 23.432 -7.275) 24.635 9.535 ( -6.319 16.655 6.036) 18.809 9.653 ( -6.336 21.776 4.756) 23.172 9.777 ( -7.220 8.812 -11.790) 16.394 9.903 ( -4.445 14.330 -15.696) 21.714 10.033 ( 3.417 17.373 3.417) 18.032 10.147 ( 0.629 12.527 -5.484) 13.689 10.346 ( 8.731 9.125 1.870) 12.767 10.440 ( 9.014 12.996 -3.749) 16.254 10.716 ( 6.941 -0.957 2.367) 7.396 10.758 ( 8.186 -5.923 -0.672) 10.126 10.934 ( 5.953 2.990 6.090) 9.026 11.109 ( 2.259 6.616 -8.816) 11.251 11.612 ( -8.499 -6.667 5.165) 11.973 11.644 ( -4.435 -6.044 3.886) 8.444 11.706 ( -7.304 -5.738 -0.902) 9.332 11.783 ( -3.648 -7.962 -5.007) 10.089 12.172 ( -0.628 -2.081 4.487) 4.986 12.230 ( 1.205 -2.407 -0.736) 2.791 12.418 ( -0.899 3.010 3.939) 5.039 12.525 ( -1.109 0.796 -4.921) 5.107 12.827 ( 3.420 -0.162 3.840) 5.145 12.909 ( 3.948 1.629 -4.309) 6.067 13.707 ( -1.958 7.955 3.941) 9.091 13.762 ( -4.643 4.673 -0.360) 6.597 14.001 ( 6.449 2.981 5.539) 9.008 14.092 ( 11.085 1.883 -3.865) 11.890 14.591 ( -6.763 0.829 17.383) 18.671 14.895 ( -8.829 -2.094 -10.941) 14.214 17.721 ( -2.410 -4.460 2.431) 5.623 17.778 ( -4.604 -4.801 -2.733) 7.191 17.992 ( 2.473 -6.123 0.649) 6.636 18.010 ( 3.149 -6.258 -0.862) 7.059 18.589 ( 0.027 -4.551 1.085) 4.679 18.635 ( -0.239 -4.635 -2.880) 5.462 18.768 ( 1.735 -7.211 2.908) 7.967 18.846 ( 0.249 -7.297 -4.194) 8.419 22.157 ( 1.443 16.622 0.836) 16.706 22.182 ( 2.357 16.256 -1.426) 16.488 22.356 ( -2.298 14.541 7.613) 16.573 22.560 ( -5.563 11.005 -11.297) 16.724 28.127 ( 2.117 -4.559 1.715) 5.311 28.175 ( 2.339 -4.282 -2.676) 5.564 28.336 ( -2.409 -2.695 2.753) 4.544 28.406 ( -2.686 -2.866 -3.723) 5.412 36.596 ( 3.106 -8.959 21.097) 23.130 36.946 ( -5.366 -13.811 6.291) 16.097 37.207 ( 3.673 -19.548 3.214) 20.148 37.665 ( -7.538 -25.462 -21.334) 34.063 39.524 ( 7.653 -15.011 4.906) 17.549 39.660 ( 10.725 -17.152 -7.485) 21.569 40.394 ( -2.805 -26.183 5.963) 27.000 40.502 ( -2.494 -26.988 -4.143) 27.417 ======================= Grid point 192 (69/81) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.838 ( 17.129 14.449 8.191) 23.860 3.934 ( 21.846 15.061 0.584) 26.541 4.279 ( -20.470 12.904 14.770) 28.350 4.450 ( -18.521 12.056 2.791) 22.275 4.616 ( 12.345 19.333 15.874) 27.895 4.991 ( 14.436 18.734 -15.980) 28.543 5.083 ( -14.755 15.044 9.661) 23.181 5.282 ( -8.065 11.943 1.273) 14.467 5.439 ( -4.109 6.407 15.825) 17.560 5.577 ( -16.281 9.379 10.335) 21.445 5.819 ( 6.069 11.652 -15.409) 20.249 5.941 ( -4.336 7.820 -11.472) 14.545 6.756 ( 14.347 7.301 5.894) 17.143 6.918 ( 4.939 9.202 2.048) 10.643 7.128 ( 11.334 9.833 -7.894) 16.955 7.244 ( 5.279 18.566 6.535) 20.378 7.369 ( -3.037 -6.065 -7.108) 9.825 7.442 ( -9.821 13.303 -0.111) 16.535 7.680 ( 17.847 24.429 6.461) 30.936 7.769 ( 18.500 22.506 -3.583) 29.354 7.992 ( -7.273 36.733 1.063) 37.461 8.049 ( -3.933 17.080 -4.358) 18.061 8.083 ( -10.420 12.810 -1.060) 16.547 8.129 ( -12.001 17.836 -6.218) 22.378 8.413 ( -0.957 5.022 9.659) 10.928 8.491 ( -6.614 5.282 5.222) 9.946 8.758 ( 4.839 2.637 -0.223) 5.516 8.861 ( -3.435 -0.388 -7.732) 8.469 9.114 ( 4.199 10.268 6.582) 12.899 9.159 ( -0.487 17.183 6.227) 18.282 9.262 ( 0.389 10.273 -7.965) 13.005 9.286 ( -2.384 21.260 -7.203) 22.573 9.492 ( 0.429 20.793 3.410) 21.075 9.531 ( -3.952 23.806 3.600) 24.399 9.723 ( 1.594 6.130 -15.349) 16.605 9.802 ( -4.821 8.168 -17.322) 19.749 10.102 ( 2.776 12.642 3.235) 13.341 10.145 ( -1.082 10.906 0.204) 10.961 10.454 ( 2.800 11.707 -0.776) 12.062 10.495 ( -0.962 14.633 -3.261) 15.023 10.882 ( 4.762 -6.475 3.871) 8.921 10.910 ( 3.411 -6.462 1.560) 7.472 11.156 ( 12.732 -6.223 3.746) 14.658 11.251 ( 12.052 -4.058 -4.406) 13.458 11.416 ( -10.211 -6.350 5.171) 13.089 11.496 ( -9.047 -6.255 -1.753) 11.137 11.575 ( -2.627 -2.657 3.154) 4.889 11.648 ( -7.764 -6.894 -1.728) 10.525 12.193 ( 2.368 1.846 2.660) 4.012 12.243 ( -1.155 1.159 -1.585) 2.278 12.396 ( 1.229 -0.109 0.641) 1.391 12.469 ( -4.157 -1.734 -5.595) 7.183 12.923 ( 4.526 3.736 2.981) 6.582 12.971 ( 0.644 4.891 -1.595) 5.185 13.674 ( -0.667 5.708 1.471) 5.932 13.689 ( -2.118 4.839 0.300) 5.290 14.179 ( 9.867 3.651 10.451) 14.830 14.357 ( 13.127 0.114 -6.121) 14.485 14.402 ( -9.958 2.691 13.990) 17.381 14.650 ( -13.338 -0.928 -8.909) 16.066 17.683 ( -0.704 -4.967 0.443) 5.036 17.700 ( -2.386 -5.083 -1.136) 5.729 18.037 ( 1.511 -7.652 1.664) 7.976 18.049 ( 0.529 -7.923 0.660) 7.968 18.603 ( 1.035 -3.812 0.039) 3.950 18.624 ( -0.789 -3.943 -1.587) 4.323 18.810 ( 1.896 -6.988 -0.270) 7.246 18.841 ( -0.882 -6.996 -2.935) 7.637 22.201 ( 2.587 16.218 2.011) 16.545 22.239 ( 1.094 15.767 -0.136) 15.805 22.315 ( 0.700 14.927 1.626) 15.032 22.419 ( -6.838 13.384 -6.630) 16.427 28.189 ( 3.501 -4.043 2.057) 5.730 28.243 ( 3.695 -4.042 -2.803) 6.152 28.269 ( -3.518 -3.179 2.324) 5.281 28.331 ( -4.055 -3.325 -3.304) 6.198 36.687 ( 5.269 -10.018 21.712) 24.485 36.814 ( -6.401 -11.996 20.099) 24.266 37.318 ( 6.589 -18.318 -15.840) 25.097 37.483 ( -8.637 -20.661 -20.845) 30.593 39.727 ( 9.274 -17.523 5.026) 20.453 39.825 ( 2.068 -18.053 -3.783) 18.560 40.353 ( 0.543 -29.806 3.304) 29.993 40.423 ( -4.514 -29.640 -3.048) 30.136 ======================= Grid point 195 (70/81) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 0.000 13.004 5.651) 14.179 3.841 ( 0.000 16.846 -3.989) 17.312 4.646 ( 0.000 33.067 17.406) 37.368 4.923 ( 0.000 22.360 10.328) 24.630 5.066 ( 0.000 -3.705 19.651) 19.998 5.142 ( 0.000 9.333 2.039) 9.553 5.537 ( 0.000 -4.893 2.962) 5.719 5.790 ( 0.000 7.382 -20.220) 21.525 5.827 ( 0.000 8.927 21.913) 23.662 6.024 ( 0.000 11.895 2.223) 12.101 6.079 ( 0.000 11.175 -4.659) 12.107 6.484 ( 0.000 3.437 -29.828) 30.025 6.630 ( 0.000 7.461 2.042) 7.736 6.635 ( 0.000 5.542 0.593) 5.574 6.956 ( 0.000 6.311 11.550) 13.162 7.167 ( 0.000 -3.566 6.534) 7.444 7.273 ( 0.000 -11.582 -10.904) 15.907 7.433 ( 0.000 6.461 -23.303) 24.182 7.562 ( 0.000 22.818 14.846) 27.223 7.949 ( 0.000 6.825 -19.596) 20.751 8.291 ( 0.000 4.443 6.383) 7.777 8.354 ( 0.000 -5.881 15.006) 16.118 8.359 ( 0.000 4.796 20.870) 21.414 8.450 ( 0.000 7.396 3.299) 8.098 8.771 ( 0.000 -2.941 3.299) 4.420 8.779 ( 0.000 20.828 -13.423) 24.778 8.926 ( 0.000 11.709 -5.314) 12.858 9.065 ( 0.000 12.708 -1.536) 12.801 9.066 ( 0.000 8.916 -0.418) 8.926 9.146 ( 0.000 -3.050 -9.037) 9.538 9.462 ( 0.000 6.643 9.831) 11.865 9.630 ( 0.000 -6.084 -8.420) 10.388 9.815 ( 0.000 4.407 -6.527) 7.876 9.861 ( 0.000 -9.191 -8.928) 12.813 10.134 ( 0.000 15.080 2.022) 15.215 10.153 ( 0.000 11.295 0.690) 11.316 10.415 ( 0.000 12.453 -0.435) 12.461 10.433 ( 0.000 16.931 -2.123) 17.064 10.566 ( 0.000 27.288 1.152) 27.312 10.639 ( 0.000 18.732 -2.122) 18.852 10.762 ( 0.000 20.430 8.494) 22.126 11.019 ( 0.000 24.260 -10.962) 26.622 11.224 ( 0.000 21.929 4.795) 22.447 11.282 ( 0.000 8.386 -1.609) 8.539 11.582 ( 0.000 -5.108 7.532) 9.101 11.589 ( 0.000 -0.194 6.313) 6.316 11.709 ( 0.000 -1.574 -3.259) 3.619 11.761 ( 0.000 6.492 -8.061) 10.350 12.214 ( 0.000 7.605 2.017) 7.868 12.268 ( 0.000 8.140 -2.878) 8.634 12.495 ( 0.000 3.993 6.985) 8.046 12.626 ( 0.000 0.717 -3.535) 3.607 12.691 ( 0.000 -5.868 2.429) 6.351 12.774 ( 0.000 -2.886 -7.036) 7.605 13.879 ( 0.000 3.030 5.176) 5.997 13.891 ( 0.000 0.095 4.524) 4.525 13.930 ( 0.000 -0.985 1.034) 1.428 13.990 ( 0.000 2.062 -4.820) 5.243 14.653 ( 0.000 -2.318 14.072) 14.261 14.908 ( 0.000 -6.515 -9.566) 11.574 17.663 ( 0.000 -4.774 2.990) 5.633 17.740 ( 0.000 -6.298 -3.938) 7.428 17.861 ( 0.000 -4.190 0.291) 4.200 17.867 ( 0.000 -3.439 -0.270) 3.449 18.503 ( 0.000 -3.882 1.477) 4.154 18.544 ( 0.000 -4.054 -2.270) 4.646 18.612 ( 0.000 -5.998 3.387) 6.888 18.696 ( 0.000 -6.764 -4.263) 7.995 22.445 ( 0.000 13.133 0.123) 13.133 22.453 ( 0.000 12.771 -0.583) 12.784 22.624 ( 0.000 9.758 6.007) 11.459 22.778 ( 0.000 5.717 -8.159) 9.963 28.017 ( 0.000 -3.848 2.012) 4.342 28.064 ( 0.000 -4.013 -2.328) 4.640 28.321 ( 0.000 -1.690 2.379) 2.918 28.385 ( 0.000 -2.343 -3.534) 4.240 36.402 ( 0.000 -6.995 16.246) 17.688 36.758 ( 0.000 -12.031 -16.285) 20.247 36.783 ( 0.000 -15.321 23.909) 28.397 37.240 ( 0.000 -22.562 -17.585) 28.606 39.205 ( 0.000 -11.502 0.164) 11.504 39.237 ( 0.000 -11.501 -2.474) 11.764 39.971 ( 0.000 -20.129 4.117) 20.546 40.049 ( 0.000 -21.326 -3.088) 21.548 ======================= Grid point 196 (71/81) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 9.335 12.560 6.278) 16.861 3.951 ( 10.133 17.031 -4.031) 20.224 4.730 ( 7.035 26.391 18.297) 32.875 4.872 ( -13.567 7.170 16.055) 22.209 5.005 ( 0.845 9.813 21.156) 23.336 5.130 ( 0.944 15.390 -12.020) 19.550 5.451 ( -7.406 4.681 -0.813) 8.799 5.590 ( -7.014 7.721 22.862) 25.129 5.822 ( -3.021 12.288 -13.953) 18.836 5.990 ( -2.401 8.405 -7.934) 11.804 6.153 ( -15.187 9.216 5.628) 18.635 6.313 ( -11.231 9.492 -8.983) 17.232 6.452 ( 10.011 2.223 2.850) 10.643 6.781 ( 9.593 -1.813 -22.564) 24.585 7.094 ( 2.367 1.125 0.872) 2.762 7.222 ( -3.734 -11.966 -7.434) 14.574 7.410 ( 19.646 -0.065 8.297) 21.327 7.536 ( 7.306 10.829 2.240) 13.254 7.720 ( 11.661 12.909 -5.620) 18.282 7.916 ( -0.745 11.451 -14.506) 18.496 8.300 ( -3.053 1.010 15.053) 15.392 8.319 ( 2.787 2.199 13.587) 14.043 8.423 ( 4.139 2.774 15.588) 16.365 8.482 ( 1.453 7.931 3.222) 8.683 8.695 ( -3.161 2.773 -5.709) 7.090 8.816 ( -4.009 13.130 -8.159) 15.970 8.830 ( -6.559 15.424 -3.821) 17.191 8.963 ( -1.072 8.236 -4.813) 9.599 9.134 ( 4.968 6.049 4.473) 9.015 9.294 ( 5.947 7.893 -9.507) 13.713 9.483 ( 2.550 5.918 5.327) 8.361 9.609 ( -2.415 -7.179 -6.968) 10.292 9.689 ( -6.168 1.824 -1.489) 6.602 9.847 ( -2.041 4.903 -11.493) 12.660 10.076 ( -5.752 16.662 0.205) 17.629 10.093 ( -4.676 7.392 -2.255) 9.033 10.479 ( 3.946 16.021 0.908) 16.525 10.517 ( 4.853 18.822 -3.144) 19.690 10.599 ( 4.095 15.458 4.081) 16.504 10.675 ( 3.638 11.171 -0.790) 11.775 10.780 ( 1.417 21.425 7.029) 22.593 11.005 ( -1.464 24.122 -8.896) 25.752 11.192 ( -3.307 16.092 4.308) 16.984 11.259 ( -2.697 5.409 -2.562) 6.565 11.485 ( -4.590 -2.349 6.491) 8.289 11.576 ( -3.771 2.403 3.631) 5.760 11.642 ( -3.054 1.338 -2.875) 4.403 11.726 ( -3.589 5.192 -4.718) 7.880 12.236 ( 1.534 7.960 1.367) 8.221 12.281 ( 1.026 6.582 -2.784) 7.220 12.476 ( -1.991 3.509 2.525) 4.759 12.529 ( -3.514 0.425 -2.382) 4.267 12.804 ( 8.250 -1.359 5.240) 9.868 12.923 ( 8.643 -0.419 -6.259) 10.680 13.784 ( -4.894 -0.163 1.925) 5.261 13.793 ( -5.167 -1.247 1.537) 5.533 14.051 ( 7.256 1.387 4.773) 8.795 14.125 ( 8.986 0.447 -2.689) 9.390 14.588 ( -5.797 -1.953 13.023) 14.388 14.821 ( -7.791 -5.919 -8.574) 13.009 17.633 ( -2.231 -4.127 1.792) 5.022 17.683 ( -3.891 -4.566 -2.799) 6.620 17.875 ( 0.945 -5.409 0.952) 5.572 17.890 ( 1.047 -5.559 -0.344) 5.667 18.508 ( 0.747 -3.464 1.133) 3.721 18.549 ( 0.237 -3.886 -2.418) 4.583 18.635 ( 1.876 -5.965 2.740) 6.827 18.705 ( 0.520 -6.634 -3.653) 7.591 22.457 ( 1.111 12.928 0.481) 12.985 22.473 ( 1.817 12.447 -0.969) 12.616 22.605 ( -1.680 10.138 5.149) 11.494 22.737 ( -3.595 6.749 -7.005) 10.370 28.044 ( 2.479 -3.651 2.052) 4.867 28.093 ( 2.594 -3.850 -2.413) 5.232 28.290 ( -2.802 -1.887 2.352) 4.116 28.352 ( -2.966 -2.474 -3.376) 5.130 36.431 ( 2.553 -7.239 16.524) 18.219 36.685 ( -4.079 -11.627 11.010) 16.524 36.862 ( 4.618 -14.933 -5.085) 16.437 37.194 ( -3.937 -20.993 -17.546) 27.641 39.252 ( 5.514 -11.858 3.616) 13.568 39.348 ( 8.074 -13.669 -5.164) 16.694 39.919 ( -4.513 -20.576 4.660) 21.574 40.006 ( -3.887 -21.776 -3.457) 22.389 ======================= Grid point 197 (72/81) ======================= q-point: ( 0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.084 ( 14.884 10.970 8.721) 20.443 4.236 ( 12.823 12.959 -3.508) 18.566 4.516 ( -12.962 10.436 14.973) 22.385 4.715 ( -18.325 12.052 0.227) 21.934 5.020 ( 14.782 21.624 18.216) 31.904 5.279 ( -0.383 11.462 21.599) 24.455 5.393 ( 4.110 15.188 -7.513) 17.436 5.486 ( -5.963 8.732 12.357) 16.263 5.604 ( -4.865 15.197 9.680) 18.663 5.833 ( -15.726 14.903 -4.352) 22.099 6.004 ( 2.620 6.644 -17.685) 19.072 6.085 ( -5.803 6.591 -13.115) 15.783 6.756 ( 13.004 -3.632 -2.815) 13.792 6.928 ( 0.001 -4.402 -18.516) 19.032 7.109 ( -0.012 -7.220 -2.907) 7.783 7.143 ( -2.048 -12.211 -7.192) 14.318 7.653 ( 6.186 14.649 12.422) 20.178 7.727 ( 1.046 9.063 10.700) 14.061 7.951 ( 13.217 1.772 -8.214) 15.662 8.043 ( 10.107 7.112 -16.220) 20.392 8.211 ( -3.281 3.610 12.239) 13.175 8.367 ( -3.062 4.226 10.563) 11.782 8.423 ( -3.614 -2.333 7.995) 9.079 8.526 ( -11.428 5.478 10.561) 16.497 8.594 ( 9.552 18.473 8.475) 22.457 8.718 ( 2.548 12.568 -2.972) 13.164 8.823 ( -0.715 21.893 -10.787) 24.417 8.906 ( -5.011 10.387 -15.026) 18.941 9.232 ( 4.035 1.943 10.783) 11.676 9.313 ( -3.254 7.099 0.798) 7.849 9.536 ( 1.591 -1.494 -7.876) 8.173 9.571 ( -0.635 -1.891 -4.599) 5.012 9.703 ( 7.418 9.594 -1.875) 12.272 9.833 ( 2.104 10.175 -10.253) 14.597 9.907 ( -9.772 16.016 -1.391) 18.813 9.951 ( -7.677 6.926 -6.615) 12.274 10.555 ( 2.284 24.472 2.905) 24.749 10.567 ( 1.038 29.358 1.595) 29.420 10.710 ( 4.882 -1.516 5.180) 7.277 10.776 ( 1.096 0.658 3.704) 3.919 10.830 ( 5.806 17.815 -2.869) 18.956 10.948 ( -4.044 20.210 -6.019) 21.472 11.104 ( -2.640 2.147 3.481) 4.868 11.153 ( -5.976 -4.696 -1.513) 7.749 11.456 ( 1.533 9.062 3.561) 9.856 11.503 ( -2.351 10.740 0.910) 11.032 11.604 ( -0.733 4.489 -1.534) 4.800 11.635 ( -3.775 4.911 -2.708) 6.760 12.271 ( 1.668 6.493 0.931) 6.768 12.295 ( -0.184 4.913 -1.346) 5.098 12.449 ( 0.203 6.000 0.380) 6.016 12.477 ( -1.951 3.436 -2.423) 4.635 12.981 ( 6.807 1.744 3.596) 7.894 13.044 ( 1.587 2.040 -2.417) 3.539 13.703 ( -2.079 -2.774 0.778) 3.553 13.709 ( -2.466 -2.631 0.199) 3.611 14.223 ( 8.737 0.160 7.479) 11.502 14.337 ( 8.982 -2.736 -2.575) 9.736 14.432 ( -6.535 -0.344 9.072) 11.186 14.604 ( -11.624 -4.149 -6.204) 13.814 17.596 ( -0.722 -3.513 0.065) 3.587 17.612 ( -2.258 -3.557 -1.421) 4.446 17.891 ( 0.512 -6.851 1.164) 6.968 17.898 ( -0.127 -7.059 0.533) 7.080 18.532 ( 1.225 -3.128 0.117) 3.361 18.550 ( -0.297 -3.363 -1.247) 3.599 18.677 ( 1.854 -6.110 0.325) 6.394 18.706 ( -0.652 -6.362 -2.119) 6.738 22.491 ( 1.963 12.350 1.379) 12.581 22.518 ( 1.044 11.771 -0.267) 11.820 22.572 ( 0.216 10.594 1.300) 10.675 22.643 ( -4.661 8.951 -4.344) 10.987 28.116 ( 4.091 -3.127 2.132) 5.573 28.167 ( 3.873 -3.413 -2.448) 5.713 28.213 ( -3.861 -2.424 2.060) 5.003 28.269 ( -4.522 -2.855 -2.998) 6.131 36.503 ( 4.002 -8.049 16.983) 19.215 36.594 ( -4.368 -9.584 16.327) 19.430 36.970 ( 5.448 -15.952 -13.600) 21.658 37.089 ( -5.524 -18.060 -16.727) 25.229 39.413 ( 8.182 -13.522 4.300) 16.379 39.498 ( 2.965 -14.274 -3.214) 14.929 39.824 ( -1.966 -22.525 2.994) 22.808 39.893 ( -6.084 -22.764 -3.199) 23.779 ======================= Grid point 200 (73/81) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( 0.000 13.712 8.537) 16.152 4.151 ( 0.000 13.261 -5.580) 14.387 4.891 ( 0.000 -4.008 22.606) 22.958 5.111 ( 0.000 -0.574 19.181) 19.190 5.345 ( 0.000 5.728 7.899) 9.757 5.417 ( 0.000 32.809 8.966) 34.012 5.659 ( 0.000 18.195 -1.914) 18.295 5.887 ( 0.000 3.114 -18.341) 18.603 6.059 ( 0.000 13.460 16.251) 21.101 6.278 ( 0.000 7.719 -4.933) 9.161 6.295 ( 0.000 14.589 -3.476) 14.997 6.599 ( 0.000 8.226 -23.659) 25.049 6.682 ( 0.000 1.123 -0.838) 1.401 6.698 ( 0.000 -0.505 -4.476) 4.504 6.952 ( 0.000 -4.476 3.358) 5.596 6.959 ( 0.000 -16.246 -0.435) 16.252 6.999 ( 0.000 -8.199 7.399) 11.044 7.415 ( 0.000 -6.300 -25.833) 26.590 7.923 ( 0.000 8.963 1.120) 9.033 8.032 ( 0.000 0.756 -9.900) 9.928 8.223 ( 0.000 -4.344 14.026) 14.684 8.272 ( 0.000 -1.397 8.238) 8.356 8.524 ( 0.000 4.695 10.365) 11.379 8.537 ( 0.000 0.390 3.019) 3.044 8.691 ( 0.000 -3.057 12.914) 13.270 8.925 ( 0.000 -7.325 2.702) 7.807 9.138 ( 0.000 0.553 7.080) 7.101 9.164 ( 0.000 -0.900 -2.579) 2.731 9.211 ( 0.000 7.341 -4.547) 8.635 9.324 ( 0.000 -3.993 -13.315) 13.901 9.374 ( 0.000 -8.165 -5.811) 10.022 9.439 ( 0.000 9.983 -10.979) 14.839 9.783 ( 0.000 3.900 -3.931) 5.537 9.855 ( 0.000 2.333 -10.102) 10.368 10.380 ( 0.000 10.115 6.306) 11.920 10.405 ( 0.000 10.612 3.035) 11.038 10.751 ( 0.000 19.402 0.785) 19.418 10.763 ( 0.000 14.784 -0.953) 14.814 10.861 ( 0.000 7.708 8.099) 11.180 10.950 ( 0.000 10.754 -0.644) 10.773 11.224 ( 0.000 16.095 5.316) 16.950 11.395 ( 0.000 0.857 1.393) 1.636 11.459 ( 0.000 3.661 -1.955) 4.150 11.475 ( 0.000 16.838 -12.295) 20.849 11.646 ( 0.000 16.888 7.049) 18.300 11.803 ( 0.000 12.485 -2.513) 12.736 11.863 ( 0.000 18.466 2.722) 18.665 12.011 ( 0.000 11.280 -7.009) 13.280 12.481 ( 0.000 16.662 0.485) 16.669 12.501 ( 0.000 10.411 -2.235) 10.648 12.573 ( 0.000 5.362 3.416) 6.358 12.627 ( 0.000 3.649 6.243) 7.231 12.664 ( 0.000 10.870 -4.437) 11.741 12.780 ( 0.000 3.246 -8.074) 8.702 13.840 ( 0.000 -4.360 3.586) 5.646 13.870 ( 0.000 -5.215 1.621) 5.461 13.894 ( 0.000 -2.431 4.078) 4.748 13.965 ( 0.000 -4.484 -2.654) 5.211 14.548 ( 0.000 -8.327 9.508) 12.639 14.717 ( 0.000 -12.628 -6.187) 14.062 17.574 ( 0.000 -3.852 1.743) 4.228 17.621 ( 0.000 -5.154 -2.565) 5.757 17.785 ( 0.000 -3.319 0.964) 3.456 17.800 ( 0.000 -3.171 -0.443) 3.202 18.439 ( 0.000 -2.430 1.325) 2.767 18.472 ( 0.000 -3.021 -1.684) 3.458 18.509 ( 0.000 -4.165 2.429) 4.822 18.572 ( 0.000 -5.465 -3.288) 6.378 22.666 ( 0.000 8.720 -0.113) 8.720 22.667 ( 0.000 8.441 -0.224) 8.444 22.780 ( 0.000 5.881 3.340) 6.764 22.864 ( 0.000 3.010 -4.350) 5.289 27.951 ( 0.000 -2.590 1.894) 3.209 27.990 ( 0.000 -3.264 -1.643) 3.654 28.295 ( 0.000 -0.958 1.665) 1.921 28.342 ( 0.000 -1.941 -2.676) 3.306 36.288 ( 0.000 -4.182 11.156) 11.914 36.534 ( 0.000 -9.925 -11.382) 15.101 36.542 ( 0.000 -8.705 15.379) 17.672 36.848 ( 0.000 -16.305 -12.397) 20.483 39.008 ( 0.000 -7.899 0.724) 7.932 39.035 ( 0.000 -8.361 -1.661) 8.525 39.629 ( 0.000 -13.638 2.635) 13.891 39.681 ( 0.000 -14.948 -2.158) 15.103 ======================= Grid point 201 (74/81) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( 8.187 12.957 9.122) 17.836 4.249 ( 8.551 12.125 -5.449) 15.806 4.818 ( -6.332 -1.557 21.120) 22.104 5.061 ( -5.637 -1.868 9.676) 11.353 5.357 ( 1.639 12.662 13.162) 18.337 5.459 ( 3.855 26.331 15.054) 30.575 5.666 ( 0.932 18.355 -0.345) 18.381 5.834 ( -3.792 10.995 -2.400) 11.876 6.057 ( 0.871 13.066 -3.109) 13.459 6.213 ( -9.165 11.605 -2.798) 15.050 6.301 ( -4.854 7.767 0.342) 9.165 6.480 ( -12.668 7.960 -13.315) 20.028 6.490 ( 1.992 2.264 0.377) 3.039 6.770 ( 6.492 0.637 -21.127) 22.111 6.897 ( -3.700 -17.029 -2.448) 17.597 6.971 ( 0.002 -8.157 -5.565) 9.874 7.334 ( 20.961 -8.644 7.439) 23.863 7.548 ( 10.038 -6.978 -12.960) 17.817 7.929 ( 0.244 5.788 1.048) 5.887 8.039 ( 0.959 0.254 -9.424) 9.476 8.209 ( -1.243 -4.335 14.179) 14.879 8.291 ( 1.597 -1.146 8.439) 8.665 8.519 ( -2.513 -0.463 3.318) 4.188 8.559 ( 0.941 -1.552 0.877) 2.016 8.680 ( -0.231 -0.973 13.070) 13.108 8.818 ( -4.418 -3.704 7.227) 9.245 9.147 ( -3.377 -3.650 -6.872) 8.482 9.204 ( 4.376 4.604 2.132) 6.700 9.252 ( 3.753 2.087 0.562) 4.331 9.320 ( -3.718 0.732 -14.002) 14.505 9.411 ( 4.955 -7.737 -3.391) 9.794 9.543 ( 8.724 12.060 -8.600) 17.190 9.754 ( -0.205 6.979 -0.390) 6.993 9.862 ( 0.811 1.105 -10.869) 10.955 10.317 ( -7.196 10.829 4.731) 13.836 10.332 ( -4.941 9.606 3.790) 11.448 10.742 ( -0.568 15.250 3.808) 15.729 10.785 ( 0.331 7.027 2.784) 7.566 10.884 ( 2.959 14.092 2.368) 14.592 10.971 ( 1.310 11.150 -2.613) 11.527 11.246 ( 1.245 12.586 6.211) 14.090 11.332 ( -6.124 6.334 -0.387) 8.819 11.391 ( -5.574 8.702 -0.194) 10.336 11.494 ( 0.358 20.759 -11.231) 23.605 11.599 ( -1.153 12.630 5.145) 13.686 11.724 ( -3.623 7.660 -3.708) 9.250 11.859 ( -1.415 19.095 2.942) 19.372 11.984 ( -3.632 14.891 -6.319) 16.579 12.441 ( -1.107 9.974 -0.415) 10.044 12.471 ( 0.235 12.649 -2.322) 12.863 12.600 ( 1.463 10.779 4.042) 11.604 12.672 ( 0.807 15.531 -0.641) 15.565 12.792 ( 10.617 1.040 3.101) 11.109 12.910 ( 9.069 1.332 -6.422) 11.192 13.711 ( -7.292 -6.925 1.515) 10.170 13.719 ( -7.823 -5.950 1.134) 9.894 14.033 ( 6.670 -3.368 4.015) 8.482 14.084 ( 7.212 -4.761 -1.084) 8.710 14.490 ( -5.119 -8.010 8.800) 12.954 14.642 ( -6.597 -11.972 -5.391) 14.694 17.560 ( -1.033 -2.921 1.267) 3.347 17.599 ( -1.824 -3.619 -2.311) 4.666 17.776 ( -0.722 -4.321 0.971) 4.487 17.788 ( -1.037 -4.488 -0.114) 4.607 18.451 ( 1.090 -2.229 0.943) 2.654 18.480 ( 0.566 -2.911 -1.616) 3.377 18.530 ( 1.652 -4.391 2.037) 5.114 18.582 ( 0.666 -5.449 -2.736) 6.134 22.674 ( 0.747 8.523 0.148) 8.557 22.681 ( 1.209 8.153 -0.507) 8.257 22.768 ( -1.088 6.183 2.880) 6.907 22.841 ( -2.081 3.713 -3.783) 5.695 27.982 ( 2.821 -2.420 1.880) 4.165 28.022 ( 2.893 -3.112 -1.739) 4.591 28.260 ( -3.121 -1.100 1.700) 3.720 28.306 ( -3.188 -2.042 -2.565) 4.573 36.312 ( 2.183 -4.309 11.352) 12.337 36.491 ( -2.242 -7.363 7.977) 11.085 36.600 ( 3.467 -11.068 -4.797) 12.551 36.825 ( -2.061 -15.567 -12.275) 19.931 39.051 ( 4.464 -8.027 2.479) 9.514 39.113 ( 6.183 -9.654 -3.171) 11.895 39.573 ( -4.945 -13.624 3.066) 14.814 39.634 ( -4.321 -15.066 -2.483) 15.869 ======================= Grid point 202 (75/81) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.295 ( 11.255 10.070 10.337) 18.301 4.439 ( 3.895 7.713 -0.039) 8.641 4.684 ( -1.254 5.577 12.510) 13.754 4.865 ( -11.743 2.672 0.995) 12.084 5.440 ( 5.970 14.289 20.285) 25.521 5.528 ( 0.352 17.480 24.457) 30.064 5.692 ( 1.131 18.051 11.457) 21.410 5.763 ( -4.220 16.372 4.344) 17.456 5.985 ( -0.738 19.257 -9.216) 21.362 6.135 ( 3.168 8.622 -9.278) 13.056 6.169 ( -13.113 16.308 -14.736) 25.594 6.214 ( -4.441 8.544 -8.461) 12.818 6.639 ( 7.646 -7.177 -2.948) 10.894 6.781 ( -5.470 -12.057 -9.291) 16.175 6.913 ( 4.231 -5.926 -13.337) 15.195 6.966 ( -0.925 -7.250 -11.762) 13.848 7.731 ( 13.305 -7.901 4.738) 16.183 7.767 ( 9.020 -6.139 2.851) 11.277 7.923 ( -0.283 -1.320 1.308) 1.879 8.027 ( -4.825 -9.038 -3.803) 10.928 8.234 ( 6.133 0.713 2.992) 6.861 8.328 ( 2.217 -1.475 9.197) 9.575 8.399 ( -6.438 -1.162 2.098) 6.871 8.463 ( -9.702 -5.857 4.938) 12.362 8.729 ( 6.786 0.300 7.418) 10.058 8.847 ( 0.377 -6.255 8.265) 10.372 9.044 ( -2.334 -1.067 -13.540) 13.781 9.137 ( -7.650 -7.040 -17.662) 20.495 9.356 ( 5.009 4.776 4.872) 8.464 9.372 ( 4.636 13.300 8.037) 16.216 9.499 ( 3.385 1.524 -5.396) 6.550 9.602 ( -3.418 7.924 -8.509) 12.119 9.905 ( 10.650 5.739 -0.745) 12.121 9.938 ( 8.389 5.957 -4.424) 11.200 10.122 ( -10.145 9.318 4.072) 14.364 10.175 ( -9.780 10.278 0.282) 14.190 10.734 ( 0.422 7.775 8.688) 11.667 10.765 ( -1.827 3.171 9.025) 9.739 10.972 ( 3.983 7.591 -5.991) 10.459 10.993 ( 0.904 6.015 -4.486) 7.558 11.166 ( -5.525 16.944 -0.281) 17.825 11.186 ( -5.801 16.274 -2.276) 17.427 11.379 ( 3.766 21.917 3.518) 22.514 11.459 ( -3.100 23.652 -2.571) 23.992 11.637 ( 3.079 7.380 1.442) 8.126 11.688 ( -1.267 4.620 0.017) 4.790 11.822 ( -0.303 16.825 -3.928) 17.281 11.880 ( -4.904 15.769 -6.305) 17.677 12.465 ( 2.468 13.716 1.167) 13.985 12.493 ( 0.559 15.088 -0.495) 15.107 12.633 ( 1.598 12.367 1.902) 12.614 12.667 ( -1.218 14.952 -0.376) 15.006 12.999 ( 7.270 0.574 2.380) 7.671 13.055 ( 2.704 -0.001 -2.601) 3.752 13.582 ( -3.640 -8.754 0.168) 9.482 13.587 ( -3.764 -9.149 -0.393) 9.901 14.172 ( 6.391 -5.290 5.025) 9.700 14.234 ( 5.335 -7.533 -0.494) 9.244 14.365 ( -4.341 -6.682 5.734) 9.817 14.466 ( -8.942 -9.822 -3.347) 13.698 17.544 ( -0.169 -1.584 0.077) 1.594 17.559 ( -1.534 -1.666 -1.333) 2.627 17.763 ( -0.341 -5.803 0.784) 5.865 17.767 ( -0.710 -5.915 0.412) 5.971 18.478 ( 1.133 -2.252 0.198) 2.528 18.489 ( 0.091 -2.557 -0.726) 2.660 18.566 ( 1.515 -4.878 0.422) 5.126 18.587 ( -0.379 -5.271 -1.447) 5.480 22.696 ( 1.310 8.022 0.721) 8.160 22.713 ( 1.002 7.532 -0.398) 7.609 22.744 ( -0.253 6.562 0.966) 6.638 22.785 ( -2.806 5.291 -2.417) 6.459 28.064 ( 4.645 -1.977 1.815) 5.364 28.106 ( 4.572 -2.685 -1.936) 5.644 28.172 ( -4.642 -1.543 1.725) 5.187 28.216 ( -4.936 -2.346 -2.271) 5.918 36.372 ( 3.121 -4.779 11.655) 12.977 36.437 ( -2.865 -5.767 11.199) 12.919 36.682 ( 4.054 -12.487 -9.705) 16.326 36.764 ( -3.486 -13.992 -11.645) 18.535 39.186 ( 7.356 -8.942 3.168) 12.004 39.253 ( 4.617 -10.005 -2.819) 11.374 39.450 ( -4.435 -14.538 2.711) 15.439 39.509 ( -6.686 -15.312 -2.654) 16.918 ======================= Grid point 205 (76/81) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.246 ( 0.000 11.496 9.374) 14.834 4.353 ( 0.000 6.385 0.976) 6.459 4.821 ( 0.000 -1.683 19.623) 19.695 5.004 ( 0.000 -7.793 7.937) 11.123 5.535 ( 0.000 13.266 14.762) 19.847 5.936 ( 0.000 3.724 -7.963) 8.790 5.957 ( 0.000 12.752 -4.336) 13.469 5.989 ( 0.000 12.543 6.833) 14.283 6.220 ( 0.000 -0.133 7.032) 7.033 6.382 ( 0.000 2.411 3.860) 4.551 6.568 ( 0.000 -8.162 -12.349) 14.803 6.587 ( 0.000 12.936 -12.351) 17.885 6.727 ( 0.000 1.730 -0.425) 1.782 6.844 ( 0.000 2.479 5.748) 6.259 6.859 ( 0.000 -3.872 -5.107) 6.409 6.866 ( 0.000 9.694 -4.596) 10.728 6.878 ( 0.000 11.571 -3.573) 12.111 7.260 ( 0.000 -6.757 -25.527) 26.406 7.912 ( 0.000 -12.515 1.750) 12.637 7.923 ( 0.000 -9.368 2.630) 9.730 8.242 ( 0.000 4.814 6.884) 8.400 8.283 ( 0.000 2.577 4.621) 5.291 8.442 ( 0.000 -7.503 0.193) 7.505 8.480 ( 0.000 -4.939 -0.428) 4.958 8.657 ( 0.000 -4.767 17.255) 17.902 8.683 ( 0.000 -13.474 12.897) 18.652 9.013 ( 0.000 -7.388 -13.882) 15.726 9.041 ( 0.000 -6.064 -12.452) 13.850 9.115 ( 0.000 -1.301 3.241) 3.492 9.205 ( 0.000 -3.854 -6.742) 7.765 9.563 ( 0.000 8.787 5.328) 10.276 9.627 ( 0.000 2.544 -2.116) 3.309 9.909 ( 0.000 8.692 -3.394) 9.331 9.998 ( 0.000 8.845 -8.398) 12.197 10.535 ( 0.000 5.009 6.215) 7.982 10.552 ( 0.000 4.316 3.402) 5.496 10.967 ( 0.000 4.261 3.797) 5.707 11.024 ( 0.000 8.910 1.166) 8.986 11.083 ( 0.000 5.529 0.857) 5.595 11.144 ( 0.000 16.438 -3.170) 16.741 11.365 ( 0.000 -0.589 5.918) 5.948 11.384 ( 0.000 -0.544 3.452) 3.495 11.557 ( 0.000 8.360 3.445) 9.042 11.737 ( 0.000 10.505 -10.644) 14.955 11.989 ( 0.000 0.455 1.348) 1.423 11.995 ( 0.000 10.330 1.071) 10.385 12.053 ( 0.000 -4.939 -5.326) 7.264 12.111 ( 0.000 7.306 -8.754) 11.402 12.678 ( 0.000 12.119 -1.680) 12.235 12.682 ( 0.000 12.033 -2.454) 12.280 12.774 ( 0.000 11.041 6.333) 12.729 12.890 ( 0.000 6.613 -4.937) 8.253 13.037 ( 0.000 26.066 0.897) 26.082 13.098 ( 0.000 23.329 -4.294) 23.721 13.714 ( 0.000 -7.030 2.913) 7.610 13.731 ( 0.000 -7.237 2.327) 7.602 13.808 ( 0.000 -5.256 2.864) 5.986 13.830 ( 0.000 -7.864 0.358) 7.872 14.320 ( 0.000 -13.605 5.775) 14.780 14.405 ( 0.000 -17.598 -2.278) 17.745 17.515 ( 0.000 -1.854 0.716) 1.988 17.538 ( 0.000 -3.007 -1.373) 3.305 17.732 ( 0.000 -1.830 0.865) 2.024 17.744 ( 0.000 -2.261 -0.248) 2.274 18.405 ( 0.000 -0.972 0.818) 1.270 18.424 ( 0.000 -1.818 -0.844) 2.004 18.447 ( 0.000 -1.838 1.129) 2.157 18.481 ( 0.000 -3.430 -1.912) 3.927 22.795 ( 0.000 4.255 0.024) 4.255 22.797 ( 0.000 4.317 -0.176) 4.320 22.867 ( 0.000 2.868 1.347) 3.168 22.904 ( 0.000 0.933 -1.976) 2.185 27.914 ( 0.000 -1.078 1.291) 1.681 27.936 ( 0.000 -2.083 -0.678) 2.191 28.283 ( 0.000 -0.180 0.728) 0.750 28.308 ( 0.000 -1.369 -1.564) 2.079 36.238 ( 0.000 -0.647 5.653) 5.690 36.364 ( 0.000 -6.812 -5.860) 8.986 36.430 ( 0.000 -2.445 7.564) 7.949 36.582 ( 0.000 -10.028 -6.292) 11.838 38.889 ( 0.000 -3.833 0.588) 3.878 38.904 ( 0.000 -4.534 -0.781) 4.600 39.425 ( 0.000 -6.551 1.199) 6.659 39.451 ( 0.000 -7.846 -1.150) 7.929 ======================= Grid point 206 (77/81) ======================= q-point: ( 0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.322 ( 6.563 10.759 9.770) 15.946 4.429 ( 6.524 5.626 1.428) 8.732 4.790 ( -2.760 -0.488 18.440) 18.652 4.966 ( -3.703 -6.640 6.746) 10.164 5.577 ( 3.773 13.340 15.182) 20.559 5.934 ( -0.299 8.992 0.973) 9.049 5.977 ( 2.383 12.442 -5.637) 13.866 6.004 ( 0.698 8.930 5.681) 10.607 6.250 ( 1.314 0.142 4.792) 4.971 6.359 ( -1.262 4.211 0.292) 4.406 6.474 ( -5.704 5.315 -5.967) 9.818 6.579 ( -3.973 -1.332 -10.153) 10.984 6.610 ( -5.422 4.070 0.811) 6.828 6.758 ( -2.663 13.736 -12.749) 18.929 6.810 ( -1.953 9.975 -4.641) 11.173 6.959 ( 3.325 8.677 -9.431) 13.239 7.093 ( 12.781 -12.998 4.163) 18.698 7.340 ( 7.928 -12.450 -18.175) 23.414 7.862 ( -5.050 -16.738 4.034) 17.943 7.889 ( -3.246 -11.219 0.459) 11.688 8.237 ( 0.304 5.192 6.341) 8.201 8.305 ( 1.673 2.215 3.314) 4.323 8.429 ( -1.541 -4.587 0.038) 4.839 8.459 ( -2.077 -5.374 -1.000) 5.848 8.660 ( 0.788 -4.907 13.770) 14.640 8.684 ( 0.540 -7.819 13.349) 15.480 8.933 ( -5.178 -7.871 -8.289) 12.549 9.020 ( -1.822 -8.214 -12.268) 14.876 9.236 ( 7.846 -0.815 -0.592) 7.910 9.299 ( 8.453 -4.151 -2.634) 9.779 9.582 ( 1.216 7.679 -0.040) 7.775 9.678 ( 3.092 1.184 -5.865) 6.735 9.928 ( 2.388 10.128 -0.601) 10.423 10.008 ( 1.790 9.459 -5.474) 11.075 10.461 ( -6.913 4.292 5.606) 9.881 10.479 ( -6.080 4.284 4.760) 8.830 10.892 ( -2.939 4.828 7.162) 9.124 10.997 ( -2.217 4.692 -1.688) 5.457 11.093 ( -4.456 8.013 2.042) 9.393 11.168 ( 0.580 10.051 -3.864) 10.784 11.363 ( 3.604 4.254 6.552) 8.603 11.419 ( 1.981 2.195 0.769) 3.055 11.604 ( 4.485 9.956 4.516) 11.816 11.760 ( 1.724 9.175 -8.197) 12.423 11.849 ( -5.257 4.538 2.354) 7.332 11.934 ( -4.175 10.117 -6.767) 12.867 12.123 ( 2.789 5.187 -3.823) 7.021 12.176 ( 0.091 5.107 -7.842) 9.359 12.705 ( 3.123 14.249 0.063) 14.588 12.733 ( 4.059 12.447 -2.064) 13.254 12.788 ( 1.241 8.063 4.473) 9.304 12.861 ( 1.199 6.310 -2.648) 6.947 13.083 ( 2.623 23.559 2.980) 23.891 13.179 ( 5.240 20.148 -5.103) 21.435 13.531 ( -10.973 -8.833 3.029) 14.408 13.566 ( -10.407 -7.545 -0.136) 12.855 13.921 ( 5.429 -7.512 2.906) 9.713 13.941 ( 5.620 -8.853 0.838) 10.519 14.269 ( -4.378 -13.076 5.525) 14.856 14.344 ( -5.208 -16.697 -1.683) 17.571 17.518 ( 0.369 -1.179 0.664) 1.402 17.541 ( 0.222 -2.160 -1.365) 2.564 17.706 ( -2.132 -2.448 0.659) 3.313 17.714 ( -2.449 -2.738 -0.039) 3.674 18.419 ( 1.193 -0.879 0.532) 1.575 18.433 ( 0.827 -1.655 -0.710) 1.982 18.462 ( 1.117 -2.208 1.002) 2.670 18.491 ( 0.661 -3.501 -1.596) 3.904 22.801 ( 0.537 4.178 0.016) 4.213 22.804 ( 0.664 4.080 -0.207) 4.139 22.859 ( -0.694 3.013 1.165) 3.304 22.891 ( -1.119 1.332 -1.726) 2.450 27.948 ( 3.075 -0.974 1.244) 3.457 27.970 ( 3.113 -2.000 -0.768) 3.779 28.246 ( -3.325 -0.253 0.790) 3.427 28.271 ( -3.341 -1.427 -1.480) 3.923 36.262 ( 2.058 -0.632 5.788) 6.176 36.380 ( 0.803 -4.808 -2.572) 5.511 36.430 ( 0.519 -4.470 3.951) 5.988 36.569 ( -1.223 -9.761 -6.254) 11.657 38.931 ( 4.076 -3.749 1.311) 5.691 38.962 ( 4.918 -5.279 -1.454) 7.359 39.372 ( -4.800 -6.397 1.432) 8.125 39.402 ( -4.429 -7.902 -1.333) 9.156 ======================= Grid point 207 (78/81) ======================= q-point: ( 0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.486 ( 7.677 8.547 10.695) 15.696 4.570 ( 3.214 5.466 5.163) 8.177 4.734 ( 0.089 -0.100 12.814) 12.815 4.848 ( -7.005 -3.660 5.652) 9.716 5.692 ( 6.869 13.406 15.735) 21.783 5.855 ( -7.311 12.940 15.668) 21.596 6.035 ( 3.401 6.659 -7.727) 10.752 6.064 ( 3.044 14.677 1.653) 15.080 6.243 ( -0.423 1.463 -6.983) 7.147 6.316 ( -4.734 12.625 0.806) 13.507 6.414 ( 1.106 2.522 -7.533) 8.021 6.483 ( -3.898 -1.296 -3.739) 5.555 6.545 ( 1.176 7.739 3.329) 8.506 6.641 ( -6.221 13.349 1.548) 14.808 6.870 ( 4.527 5.401 -20.060) 21.262 6.955 ( -2.886 9.035 -20.353) 22.454 7.393 ( 14.516 -21.748 7.134) 27.104 7.557 ( 9.725 -15.326 -8.396) 19.999 7.692 ( -9.861 -22.667 5.595) 25.344 7.776 ( -7.445 -14.915 -2.985) 16.935 8.279 ( 3.630 3.706 4.667) 6.978 8.347 ( 2.322 1.681 3.481) 4.510 8.368 ( -3.976 -0.733 -0.300) 4.054 8.404 ( -2.815 -0.455 4.684) 5.484 8.689 ( 1.853 -5.714 6.472) 8.830 8.711 ( 0.800 -0.613 8.122) 8.185 8.859 ( -0.205 -11.417 -6.296) 13.039 8.936 ( -5.448 -8.567 -7.720) 12.754 9.420 ( 8.826 1.342 -1.130) 8.999 9.508 ( 9.421 -2.393 -4.686) 10.790 9.565 ( -3.512 4.257 -5.057) 7.485 9.672 ( -4.570 -0.721 -10.156) 11.160 10.044 ( 8.113 9.419 5.219) 13.482 10.106 ( 6.418 7.558 1.270) 9.996 10.279 ( -8.634 5.233 5.473) 11.484 10.317 ( -8.245 3.633 3.173) 9.553 10.866 ( 0.686 6.104 8.440) 10.438 10.934 ( -5.039 9.698 5.881) 12.411 11.011 ( 0.570 -0.001 -1.492) 1.597 11.085 ( -5.533 2.503 -3.952) 7.245 11.474 ( 4.335 10.956 2.260) 11.997 11.491 ( 2.878 12.795 -0.123) 13.115 11.703 ( 3.211 4.522 4.375) 7.064 11.752 ( -2.636 2.055 1.360) 3.609 11.818 ( 3.297 15.015 -3.477) 15.761 11.894 ( -1.379 17.098 -7.316) 18.649 12.101 ( -2.187 9.932 -7.386) 12.569 12.129 ( -3.332 7.469 -8.624) 11.885 12.789 ( 3.393 12.404 2.365) 13.075 12.807 ( 1.612 11.110 2.493) 11.500 12.875 ( 7.870 11.074 1.997) 13.731 12.967 ( 5.854 8.319 -5.101) 11.379 13.085 ( -2.987 16.346 6.658) 17.902 13.195 ( -6.813 14.934 -2.946) 16.677 13.360 ( -1.998 -11.354 -0.794) 11.556 13.382 ( -4.467 -9.813 -2.049) 10.975 14.019 ( 3.970 -9.383 3.162) 10.668 14.043 ( 3.461 -10.523 1.016) 11.124 14.167 ( -3.658 -12.136 4.030) 13.300 14.213 ( -6.106 -14.382 -0.314) 15.627 17.533 ( 0.871 0.379 0.190) 0.969 17.545 ( -0.048 0.124 -0.955) 0.964 17.660 ( -1.472 -4.196 0.515) 4.477 17.664 ( -1.676 -4.126 0.103) 4.454 18.445 ( 0.921 -0.915 0.126) 1.304 18.450 ( 0.459 -1.219 -0.304) 1.337 18.485 ( 0.956 -2.985 0.299) 3.148 18.498 ( -0.128 -3.441 -0.828) 3.542 22.816 ( 0.860 3.954 0.245) 4.054 22.824 ( 1.001 3.594 -0.434) 3.756 22.841 ( -0.674 3.179 0.597) 3.304 22.861 ( -1.566 2.247 -1.115) 2.957 28.037 ( 5.056 -0.708 1.107) 5.224 28.060 ( 5.080 -1.769 -0.996) 5.471 28.152 ( -5.183 -0.485 0.945) 5.291 28.176 ( -5.245 -1.603 -1.256) 5.626 36.316 ( 2.698 -0.693 5.991) 6.607 36.366 ( -1.843 -1.171 5.280) 5.714 36.472 ( 2.852 -8.247 -4.606) 9.867 36.530 ( -2.388 -9.132 -5.990) 11.180 39.055 ( 7.002 -4.013 1.746) 8.257 39.094 ( 6.583 -5.708 -1.831) 8.904 39.238 ( -6.743 -6.492 1.766) 9.525 39.274 ( -6.980 -8.028 -1.567) 10.753 ======================= Grid point 210 (79/81) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.397 ( 0.000 -2.539 7.595) 8.008 4.397 ( 0.000 2.539 7.595) 8.008 4.857 ( 0.000 -5.457 13.305) 14.381 4.857 ( 0.000 5.457 13.305) 14.381 5.833 ( 0.000 -13.948 3.246) 14.321 5.833 ( 0.000 13.949 3.246) 14.321 6.059 ( 0.000 -3.856 -5.706) 6.886 6.059 ( 0.000 3.856 -5.706) 6.887 6.290 ( 0.000 -8.417 13.682) 16.064 6.290 ( 0.000 8.417 13.682) 16.064 6.631 ( 0.000 -7.529 -13.013) 15.034 6.631 ( 0.000 7.529 -13.013) 15.034 6.781 ( 0.000 -3.387 -2.470) 4.192 6.781 ( 0.000 3.387 -2.470) 4.192 6.906 ( 0.000 -7.993 -11.658) 14.135 6.906 ( 0.000 7.993 -11.658) 14.135 7.257 ( 0.000 -6.018 -3.587) 7.006 7.257 ( 0.000 6.018 -3.587) 7.006 7.673 ( 0.000 -1.965 1.090) 2.247 7.673 ( 0.000 1.966 1.090) 2.247 8.328 ( 0.000 -1.332 5.494) 5.653 8.328 ( 0.000 1.333 5.494) 5.653 8.384 ( 0.000 -3.149 0.750) 3.237 8.384 ( 0.000 3.149 0.750) 3.237 8.546 ( 0.000 -1.880 8.954) 9.149 8.546 ( 0.000 1.880 8.954) 9.149 8.970 ( 0.000 -1.196 -10.127) 10.197 8.970 ( 0.000 1.197 -10.127) 10.198 9.136 ( 0.000 -2.857 0.034) 2.857 9.136 ( 0.000 2.858 0.034) 2.858 9.637 ( 0.000 -0.736 -1.172) 1.384 9.637 ( 0.000 0.736 -1.172) 1.384 10.061 ( 0.000 -3.424 -0.579) 3.473 10.061 ( 0.000 3.424 -0.579) 3.473 10.589 ( 0.000 -0.496 4.424) 4.452 10.589 ( 0.000 0.497 4.424) 4.452 11.039 ( 0.000 -2.745 -1.378) 3.071 11.039 ( 0.000 2.745 -1.378) 3.071 11.266 ( 0.000 -8.214 7.260) 10.963 11.266 ( 0.000 8.215 7.260) 10.963 11.351 ( 0.000 -4.205 -1.229) 4.381 11.351 ( 0.000 4.205 -1.229) 4.381 11.802 ( 0.000 -14.401 0.550) 14.412 11.802 ( 0.000 14.402 0.550) 14.412 11.908 ( 0.000 -6.591 -6.362) 9.161 11.908 ( 0.000 6.592 -6.362) 9.161 12.148 ( 0.000 -2.699 -3.741) 4.613 12.148 ( 0.000 2.699 -3.741) 4.613 12.860 ( 0.000 -0.140 -3.343) 3.346 12.860 ( 0.000 0.141 -3.343) 3.346 12.946 ( 0.000 -3.523 -0.001) 3.523 12.946 ( 0.000 3.524 -0.001) 3.524 13.348 ( 0.000 -1.352 -1.365) 1.921 13.348 ( 0.000 1.353 -1.365) 1.922 13.689 ( 0.000 -4.840 2.391) 5.398 13.689 ( 0.000 4.841 2.391) 5.399 13.712 ( 0.000 -4.099 2.005) 4.563 13.712 ( 0.000 4.099 2.005) 4.563 14.130 ( 0.000 -2.337 2.627) 3.516 14.130 ( 0.000 2.337 2.627) 3.516 17.502 ( 0.000 -0.569 -0.287) 0.637 17.502 ( 0.000 0.569 -0.287) 0.637 17.716 ( 0.000 -0.344 0.296) 0.454 17.716 ( 0.000 0.344 0.296) 0.454 18.400 ( 0.000 -0.479 0.089) 0.487 18.400 ( 0.000 0.479 0.089) 0.487 18.437 ( 0.000 -0.856 -0.411) 0.949 18.437 ( 0.000 0.856 -0.411) 0.949 22.839 ( 0.000 -0.124 0.038) 0.129 22.839 ( 0.000 0.124 0.038) 0.130 22.904 ( 0.000 -0.895 -0.349) 0.961 22.904 ( 0.000 0.895 -0.349) 0.961 27.909 ( 0.000 -0.559 0.368) 0.670 27.909 ( 0.000 0.559 0.368) 0.670 28.288 ( 0.000 -0.629 -0.382) 0.736 28.288 ( 0.000 0.629 -0.382) 0.736 36.263 ( 0.000 -3.150 -0.082) 3.151 36.263 ( 0.000 3.150 -0.082) 3.151 36.443 ( 0.000 -3.774 0.367) 3.792 36.443 ( 0.000 3.774 0.367) 3.792 38.855 ( 0.000 -0.388 0.020) 0.389 38.855 ( 0.000 0.388 0.020) 0.389 39.365 ( 0.000 -0.634 -0.055) 0.636 39.365 ( 0.000 0.634 -0.055) 0.636 ======================= Grid point 212 (80/81) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.465 ( 5.888 -2.569 8.040) 10.291 4.465 ( 5.888 2.569 8.040) 10.291 4.833 ( -2.299 -5.234 12.330) 13.590 4.833 ( -2.299 5.234 12.330) 13.591 5.868 ( 3.249 -13.060 3.243) 13.843 5.868 ( 3.249 13.060 3.243) 13.843 6.079 ( 1.734 -2.590 -1.806) 3.603 6.079 ( 1.734 2.590 -1.806) 3.603 6.297 ( -0.256 -7.275 7.988) 10.807 6.297 ( -0.256 7.275 7.988) 10.807 6.549 ( -5.067 -1.940 -11.438) 12.660 6.549 ( -5.067 1.940 -11.438) 12.660 6.814 ( 2.613 -10.854 0.621) 11.181 6.814 ( 2.613 10.854 0.621) 11.181 6.995 ( 6.682 -14.077 -13.026) 20.310 6.995 ( 6.682 14.077 -13.026) 20.310 7.214 ( -3.338 -12.318 -2.144) 12.941 7.214 ( -3.338 12.318 -2.144) 12.941 7.586 ( -7.463 -7.150 -1.295) 10.416 7.586 ( -7.463 7.150 -1.295) 10.416 8.345 ( 1.197 -2.778 5.637) 6.397 8.345 ( 1.197 2.778 5.637) 6.397 8.378 ( -0.554 -1.457 0.289) 1.585 8.378 ( -0.554 1.457 0.289) 1.585 8.574 ( 2.836 -1.084 7.191) 7.805 8.574 ( 2.836 1.084 7.191) 7.805 8.910 ( -4.549 -3.100 -5.268) 7.619 8.910 ( -4.549 3.100 -5.268) 7.619 9.239 ( 8.393 -1.587 -1.843) 8.738 9.239 ( 8.393 1.587 -1.843) 8.738 9.661 ( 1.102 -2.079 -4.992) 5.518 9.661 ( 1.102 2.079 -4.992) 5.518 10.084 ( 2.359 -2.818 0.773) 3.755 10.084 ( 2.359 2.818 0.773) 3.756 10.510 ( -6.821 -0.670 4.909) 8.431 10.510 ( -6.821 0.671 4.909) 8.431 10.980 ( -2.686 -3.522 2.009) 4.864 10.980 ( -2.686 3.522 2.009) 4.864 11.236 ( -6.653 -3.303 0.525) 7.446 11.236 ( -6.653 3.303 0.525) 7.446 11.425 ( 8.689 -1.604 3.958) 9.682 11.425 ( 8.689 1.605 3.958) 9.682 11.798 ( -1.018 -6.867 2.016) 7.229 11.798 ( -1.018 6.867 2.016) 7.229 11.940 ( 3.744 -6.783 -8.428) 11.448 11.940 ( 3.744 6.784 -8.428) 11.449 12.193 ( 2.411 -3.112 -5.403) 6.685 12.193 ( 2.411 3.112 -5.403) 6.685 12.855 ( -0.316 -0.865 -1.272) 1.570 12.855 ( -0.316 0.866 -1.272) 1.571 12.996 ( 5.366 -3.143 0.244) 6.223 12.996 ( 5.366 3.144 0.244) 6.224 13.272 ( -6.672 -0.366 -0.745) 6.723 13.272 ( -6.672 0.366 -0.745) 6.723 13.634 ( -6.537 -4.513 0.938) 7.999 13.634 ( -6.537 4.515 0.938) 8.000 13.752 ( 4.733 -3.725 1.397) 6.183 13.752 ( 4.733 3.724 1.397) 6.183 14.095 ( -3.089 -1.989 3.155) 4.842 14.095 ( -3.089 1.989 3.155) 4.842 17.513 ( 1.053 -0.579 -0.242) 1.226 17.513 ( 1.053 0.579 -0.242) 1.226 17.683 ( -2.845 -0.200 0.213) 2.860 17.683 ( -2.845 0.200 0.213) 2.860 18.414 ( 1.163 -0.309 0.057) 1.205 18.414 ( 1.163 0.309 0.057) 1.205 18.446 ( 0.639 -0.772 -0.332) 1.055 18.446 ( 0.639 0.772 -0.332) 1.055 22.844 ( 0.446 -0.090 0.003) 0.455 22.844 ( 0.446 0.090 0.003) 0.455 22.896 ( -0.661 -0.777 -0.306) 1.065 22.896 ( -0.661 0.778 -0.306) 1.065 27.944 ( 3.180 -0.571 0.296) 3.245 27.944 ( 3.180 0.571 0.296) 3.245 28.250 ( -3.396 -0.627 -0.310) 3.467 28.250 ( -3.396 0.627 -0.310) 3.467 36.288 ( 2.181 -3.245 -0.055) 3.910 36.288 ( 2.181 3.245 -0.055) 3.910 36.433 ( -1.003 -3.738 0.310) 3.882 36.433 ( -1.003 3.738 0.310) 3.882 38.901 ( 4.224 -0.748 0.022) 4.290 38.901 ( 4.224 0.748 0.022) 4.290 39.315 ( -4.561 -0.750 -0.041) 4.622 39.315 ( -4.561 0.750 -0.041) 4.622 ======================= Grid point 214 (81/81) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.615 ( 7.324 -3.040 9.081) 12.056 4.615 ( 7.324 3.040 9.081) 12.056 4.753 ( -5.280 -4.204 10.517) 12.496 4.753 ( -5.280 4.204 10.517) 12.496 5.966 ( 5.604 -11.657 4.200) 13.599 5.966 ( 5.604 11.657 4.200) 13.599 6.077 ( -3.494 -7.846 5.285) 10.085 6.077 ( -3.494 7.846 5.285) 10.085 6.313 ( 3.748 -5.688 -5.178) 8.556 6.313 ( 3.748 5.688 -5.178) 8.556 6.434 ( -6.119 -3.052 -8.958) 11.269 6.434 ( -6.119 3.052 -8.958) 11.269 6.917 ( 6.872 -21.954 6.114) 23.803 6.917 ( 6.872 21.954 6.114) 23.803 7.059 ( -4.409 -15.148 0.463) 15.784 7.059 ( -4.409 15.149 0.463) 15.784 7.213 ( 6.508 -14.672 -10.879) 19.390 7.213 ( 6.508 14.672 -10.879) 19.390 7.395 ( -9.475 -16.502 -8.254) 20.741 7.395 ( -9.475 16.502 -8.254) 20.741 8.362 ( 0.511 -3.386 3.890) 5.183 8.362 ( 0.511 3.387 3.890) 5.183 8.372 ( -0.196 -0.800 3.215) 3.319 8.372 ( -0.196 0.801 3.216) 3.320 8.665 ( 5.458 -3.285 3.054) 7.065 8.665 ( 5.458 3.286 3.054) 7.065 8.794 ( -6.136 -4.815 -1.165) 7.886 8.794 ( -6.136 4.816 -1.165) 7.886 9.449 ( 10.271 -2.278 -4.274) 11.356 9.449 ( 10.271 2.278 -4.274) 11.356 9.626 ( -5.224 -2.749 -8.023) 9.960 9.626 ( -5.224 2.749 -8.023) 9.961 10.174 ( 6.183 -1.829 3.844) 7.507 10.174 ( 6.183 1.829 3.844) 7.507 10.336 ( -8.530 -1.084 5.305) 10.103 10.336 ( -8.530 1.085 5.305) 10.103 10.973 ( 2.271 -3.743 2.936) 5.271 10.973 ( 2.271 3.743 2.936) 5.272 11.075 ( -6.972 -3.710 1.594) 8.057 11.075 ( -6.972 3.710 1.594) 8.057 11.613 ( 7.932 -1.785 2.723) 8.574 11.613 ( 7.932 1.785 2.723) 8.574 11.745 ( -4.213 -2.047 2.050) 5.113 11.745 ( -4.213 2.047 2.050) 5.113 12.060 ( 6.757 -4.569 -8.229) 11.587 12.060 ( 6.757 4.570 -8.229) 11.587 12.185 ( -3.710 -1.111 -7.088) 8.077 12.185 ( -3.710 1.111 -7.088) 8.077 12.897 ( 5.282 -2.260 1.194) 5.868 12.897 ( 5.282 2.260 1.194) 5.868 13.060 ( -7.532 -9.333 3.726) 12.558 13.060 ( -7.532 9.333 3.726) 12.558 13.205 ( 8.787 -8.104 -3.307) 12.402 13.205 ( 8.787 8.104 -3.307) 12.402 13.439 ( -11.056 -3.332 -1.643) 11.664 13.439 ( -11.056 3.334 -1.643) 11.664 13.876 ( 6.367 -1.677 2.149) 6.927 13.876 ( 6.367 1.677 2.149) 6.927 14.004 ( -5.311 -1.444 3.135) 6.334 14.004 ( -5.311 1.444 3.135) 6.334 17.549 ( 2.369 -0.514 -0.122) 2.427 17.549 ( 2.369 0.514 -0.122) 2.427 17.612 ( -3.405 -0.287 0.043) 3.417 17.612 ( -3.405 0.287 0.043) 3.417 18.441 ( 1.118 -0.234 -0.035) 1.143 18.441 ( 1.118 0.234 -0.035) 1.143 18.454 ( -0.074 -0.542 -0.175) 0.575 18.454 ( -0.074 0.542 -0.175) 0.575 22.858 ( 0.834 -0.211 -0.087) 0.865 22.858 ( 0.834 0.212 -0.087) 0.865 22.878 ( -0.967 -0.498 -0.203) 1.106 22.878 ( -0.967 0.499 -0.203) 1.107 28.036 ( 5.227 -0.595 0.110) 5.262 28.036 ( 5.227 0.595 0.110) 5.262 28.153 ( -5.358 -0.616 -0.121) 5.395 28.153 ( -5.358 0.616 -0.121) 5.395 36.345 ( 2.834 -3.447 0.033) 4.463 36.345 ( 2.834 3.447 0.033) 4.463 36.399 ( -2.112 -3.628 0.173) 4.201 36.399 ( -2.112 3.628 0.173) 4.201 39.025 ( 7.074 -1.030 0.016) 7.149 39.025 ( 7.074 1.030 0.016) 7.149 39.184 ( -7.279 -0.969 -0.009) 7.343 39.184 ( -7.279 0.969 -0.009) 7.343 =================== 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 3/33600 10.0 1506.693 4507.841 2034.263 0.000 0.000 -0.000 3/33600 20.0 1297.720 1387.118 1081.314 0.000 0.000 -0.000 3/33600 30.0 599.490 739.524 438.246 0.000 0.000 -0.000 3/33600 40.0 301.276 408.811 212.678 0.000 0.000 -0.000 3/33600 50.0 167.787 242.294 120.223 0.000 0.000 -0.000 3/33600 60.0 104.675 157.746 76.818 0.000 0.000 -0.000 3/33600 70.0 71.609 111.208 53.705 0.000 0.000 -0.000 3/33600 80.0 52.544 83.445 40.116 0.000 0.000 -0.000 3/33600 90.0 40.659 65.700 31.493 0.000 0.000 -0.000 3/33600 100.0 32.770 53.690 25.681 0.000 0.000 -0.000 3/33600 110.0 27.261 45.170 21.570 0.000 0.000 -0.000 3/33600 120.0 23.250 38.884 18.543 0.000 0.000 -0.000 3/33600 130.0 20.228 34.094 16.241 0.000 0.000 -0.000 3/33600 140.0 17.884 30.342 14.440 0.000 0.000 -0.000 3/33600 150.0 16.022 27.335 12.998 0.000 0.000 -0.000 3/33600 160.0 14.511 24.878 11.821 0.000 0.000 -0.000 3/33600 170.0 13.264 22.834 10.843 0.000 0.000 -0.000 3/33600 180.0 12.218 21.111 10.018 0.000 0.000 -0.000 3/33600 190.0 11.329 19.639 9.314 0.000 0.000 -0.000 3/33600 200.0 10.564 18.367 8.706 0.000 0.000 -0.000 3/33600 210.0 9.900 17.258 8.176 0.000 0.000 -0.000 3/33600 220.0 9.318 16.282 7.710 0.000 0.000 -0.000 3/33600 230.0 8.803 15.417 7.296 0.000 0.000 -0.000 3/33600 240.0 8.345 14.645 6.927 0.000 0.000 -0.000 3/33600 250.0 7.935 13.951 6.596 0.000 0.000 -0.000 3/33600 260.0 7.565 13.325 6.297 0.000 0.000 -0.000 3/33600 270.0 7.230 12.756 6.025 0.000 0.000 -0.000 3/33600 280.0 6.925 12.238 5.778 0.000 0.000 -0.000 3/33600 290.0 6.646 11.763 5.551 0.000 0.000 -0.000 3/33600 300.0 6.389 11.327 5.343 0.000 0.000 -0.000 3/33600 310.0 6.153 10.925 5.150 0.000 0.000 -0.000 3/33600 320.0 5.935 10.552 4.973 0.000 0.000 -0.000 3/33600 330.0 5.733 10.207 4.808 0.000 0.000 -0.000 3/33600 340.0 5.545 9.885 4.654 0.000 0.000 -0.000 3/33600 350.0 5.369 9.585 4.511 0.000 0.000 -0.000 3/33600 360.0 5.205 9.304 4.377 0.000 0.000 -0.000 3/33600 370.0 5.051 9.041 4.251 0.000 0.000 -0.000 3/33600 380.0 4.907 8.793 4.133 0.000 0.000 -0.000 3/33600 390.0 4.771 8.561 4.022 0.000 0.000 -0.000 3/33600 400.0 4.643 8.341 3.917 0.000 0.000 -0.000 3/33600 410.0 4.522 8.133 3.818 0.000 0.000 -0.000 3/33600 420.0 4.407 7.937 3.724 0.000 0.000 -0.000 3/33600 430.0 4.299 7.750 3.635 0.000 0.000 -0.000 3/33600 440.0 4.196 7.573 3.550 0.000 0.000 -0.000 3/33600 450.0 4.098 7.405 3.470 0.000 0.000 -0.000 3/33600 460.0 4.005 7.245 3.394 0.000 0.000 -0.000 3/33600 470.0 3.916 7.092 3.321 0.000 0.000 -0.000 3/33600 480.0 3.831 6.946 3.251 0.000 0.000 -0.000 3/33600 490.0 3.751 6.806 3.185 0.000 0.000 -0.000 3/33600 500.0 3.673 6.673 3.121 0.000 0.000 -0.000 3/33600 510.0 3.599 6.545 3.060 0.000 0.000 -0.000 3/33600 520.0 3.528 6.423 3.002 0.000 0.000 -0.000 3/33600 530.0 3.460 6.305 2.946 0.000 0.000 -0.000 3/33600 540.0 3.395 6.192 2.892 0.000 0.000 -0.000 3/33600 550.0 3.332 6.083 2.840 0.000 0.000 -0.000 3/33600 560.0 3.271 5.978 2.791 0.000 0.000 -0.000 3/33600 570.0 3.213 5.878 2.743 0.000 0.000 -0.000 3/33600 580.0 3.157 5.780 2.696 0.000 0.000 -0.000 3/33600 590.0 3.103 5.687 2.652 0.000 0.000 -0.000 3/33600 600.0 3.051 5.596 2.609 0.000 0.000 -0.000 3/33600 610.0 3.001 5.509 2.567 0.000 0.000 -0.000 3/33600 620.0 2.952 5.424 2.527 0.000 0.000 -0.000 3/33600 630.0 2.905 5.342 2.488 0.000 0.000 -0.000 3/33600 640.0 2.859 5.263 2.450 0.000 0.000 -0.000 3/33600 650.0 2.815 5.186 2.414 0.000 0.000 -0.000 3/33600 660.0 2.773 5.112 2.379 0.000 0.000 -0.000 3/33600 670.0 2.731 5.040 2.345 0.000 0.000 -0.000 3/33600 680.0 2.691 4.970 2.311 0.000 0.000 -0.000 3/33600 690.0 2.653 4.902 2.279 0.000 0.000 -0.000 3/33600 700.0 2.615 4.836 2.248 0.000 0.000 -0.000 3/33600 710.0 2.578 4.772 2.217 0.000 0.000 -0.000 3/33600 720.0 2.543 4.710 2.188 0.000 0.000 -0.000 3/33600 730.0 2.508 4.649 2.159 0.000 0.000 -0.000 3/33600 740.0 2.475 4.590 2.131 0.000 0.000 -0.000 3/33600 750.0 2.442 4.533 2.104 0.000 0.000 -0.000 3/33600 760.0 2.410 4.477 2.078 0.000 0.000 -0.000 3/33600 770.0 2.379 4.422 2.052 0.000 0.000 -0.000 3/33600 780.0 2.349 4.369 2.027 0.000 0.000 -0.000 3/33600 790.0 2.320 4.318 2.002 0.000 0.000 -0.000 3/33600 800.0 2.291 4.267 1.978 0.000 0.000 -0.000 3/33600 810.0 2.263 4.218 1.955 0.000 0.000 -0.000 3/33600 820.0 2.236 4.170 1.932 0.000 0.000 -0.000 3/33600 830.0 2.210 4.123 1.910 0.000 0.000 -0.000 3/33600 840.0 2.184 4.077 1.889 0.000 0.000 -0.000 3/33600 850.0 2.158 4.032 1.867 0.000 0.000 -0.000 3/33600 860.0 2.134 3.988 1.847 0.000 0.000 -0.000 3/33600 870.0 2.110 3.946 1.827 0.000 0.000 -0.000 3/33600 880.0 2.086 3.904 1.807 0.000 0.000 -0.000 3/33600 890.0 2.063 3.863 1.787 0.000 0.000 -0.000 3/33600 900.0 2.041 3.823 1.769 0.000 0.000 -0.000 3/33600 910.0 2.019 3.784 1.750 0.000 0.000 -0.000 3/33600 920.0 1.997 3.745 1.732 0.000 0.000 -0.000 3/33600 930.0 1.976 3.708 1.714 0.000 0.000 -0.000 3/33600 940.0 1.955 3.671 1.697 0.000 0.000 -0.000 3/33600 950.0 1.935 3.635 1.680 0.000 0.000 -0.000 3/33600 960.0 1.915 3.600 1.663 0.000 0.000 -0.000 3/33600 970.0 1.896 3.565 1.647 0.000 0.000 -0.000 3/33600 980.0 1.877 3.531 1.631 0.000 0.000 -0.000 3/33600 990.0 1.859 3.498 1.616 0.000 0.000 -0.000 3/33600 1000.0 1.840 3.465 1.600 0.000 0.000 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5165.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:45:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|