----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:19:19]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 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 8.019052349999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.177770259999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.845097459999998 Atomic positions (fractional): *1 O 0.79842831952357 0.97067549257393 0.15193512947258 15.999 2 O 0.20157168047643 0.47067549257392 0.84806487052742 15.999 3 O 0.29842831952357 0.52932450742607 0.34806487052742 15.999 4 O 0.70157168047643 0.02932450742608 0.65193512947258 15.999 5 O 0.20157168047643 0.02932450742608 0.84806487052742 15.999 6 O 0.79842831952357 0.52932450742607 0.15193512947258 15.999 7 O 0.70157168047643 0.47067549257392 0.65193512947258 15.999 8 O 0.29842831952357 0.97067549257393 0.34806487052742 15.999 *9 O 0.19599359233621 0.25000000000000 0.06393316863034 15.999 10 O 0.80400640766379 0.75000000000000 0.93606683136966 15.999 11 O 0.69599359233621 0.25000000000000 0.43606683136966 15.999 12 O 0.30400640766379 0.75000000000000 0.56393316863034 15.999 *13 O 0.02095486361245 0.75000000000000 0.42087589413473 15.999 14 O 0.97904513638755 0.25000000000000 0.57912410586527 15.999 15 O 0.52095486361245 0.75000000000000 0.07912410586527 15.999 16 O 0.47904513638755 0.25000000000000 0.92087589413473 15.999 *17 Se 0.27188026890621 0.25000000000000 0.92014405931902 78.960 18 Se 0.72811973109379 0.75000000000000 0.07985594068098 78.960 19 Se 0.77188026890621 0.25000000000000 0.57985594068098 78.960 20 Se 0.22811973109378 0.75000000000000 0.42014405931902 78.960 *21 Rb 0.50759989426716 0.25000000000000 0.20308072383129 85.468 22 Rb 0.49240010573284 0.75000000000000 0.79691927616871 85.468 23 Rb 0.00759989426716 0.25000000000000 0.29691927616871 85.468 24 Rb 0.99240010573284 0.75000000000000 0.70308072383129 85.468 *25 Rb 0.83140077298378 0.25000000000000 0.91432967400778 85.468 26 Rb 0.16859922701622 0.75000000000000 0.08567032599222 85.468 27 Rb 0.33140077298378 0.25000000000000 0.58567032599222 85.468 28 Rb 0.66859922701622 0.75000000000000 0.41432967400778 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.019052349999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.177770259999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.845097459999998 Atomic positions (fractional): *1 O 0.79842831952357 0.97067549257393 0.15193512947258 15.999 > 1 2 O 0.20157168047643 0.47067549257392 0.84806487052742 15.999 > 2 3 O 0.29842831952357 0.52932450742607 0.34806487052742 15.999 > 3 4 O 0.70157168047643 0.02932450742608 0.65193512947258 15.999 > 4 5 O 0.20157168047643 0.02932450742608 0.84806487052742 15.999 > 5 6 O 0.79842831952357 0.52932450742607 0.15193512947258 15.999 > 6 7 O 0.70157168047643 0.47067549257392 0.65193512947258 15.999 > 7 8 O 0.29842831952357 0.97067549257393 0.34806487052742 15.999 > 8 *9 O 0.19599359233621 0.25000000000000 0.06393316863034 15.999 > 9 10 O 0.80400640766379 0.75000000000000 0.93606683136966 15.999 > 10 11 O 0.69599359233621 0.25000000000000 0.43606683136966 15.999 > 11 12 O 0.30400640766379 0.75000000000000 0.56393316863034 15.999 > 12 *13 O 0.02095486361245 0.75000000000000 0.42087589413473 15.999 > 13 14 O 0.97904513638755 0.25000000000000 0.57912410586527 15.999 > 14 15 O 0.52095486361245 0.75000000000000 0.07912410586527 15.999 > 15 16 O 0.47904513638755 0.25000000000000 0.92087589413473 15.999 > 16 *17 Se 0.27188026890621 0.25000000000000 0.92014405931902 78.960 > 17 18 Se 0.72811973109379 0.75000000000000 0.07985594068098 78.960 > 18 19 Se 0.77188026890621 0.25000000000000 0.57985594068098 78.960 > 19 20 Se 0.22811973109378 0.75000000000000 0.42014405931902 78.960 > 20 *21 Rb 0.50759989426716 0.25000000000000 0.20308072383129 85.468 > 21 22 Rb 0.49240010573284 0.75000000000000 0.79691927616871 85.468 > 22 23 Rb 0.00759989426716 0.25000000000000 0.29691927616871 85.468 > 23 24 Rb 0.99240010573284 0.75000000000000 0.70308072383129 85.468 > 24 *25 Rb 0.83140077298378 0.25000000000000 0.91432967400778 85.468 > 25 26 Rb 0.16859922701622 0.75000000000000 0.08567032599222 85.468 > 26 27 Rb 0.33140077298378 0.25000000000000 0.58567032599222 85.468 > 27 28 Rb 0.66859922701622 0.75000000000000 0.41432967400778 85.468 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.038104699999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.355540519999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.845097459999998 Atomic positions (fractional): *1 O 0.39921415976179 0.48533774628696 0.15193512947258 15.999 > 1 2 O 0.89921415976179 0.48533774628696 0.15193512947258 15.999 > 1 3 O 0.39921415976179 0.98533774628696 0.15193512947258 15.999 > 1 4 O 0.89921415976179 0.98533774628696 0.15193512947258 15.999 > 1 5 O 0.10078584023821 0.23533774628696 0.84806487052742 15.999 > 2 6 O 0.60078584023821 0.23533774628696 0.84806487052742 15.999 > 2 7 O 0.10078584023821 0.73533774628696 0.84806487052742 15.999 > 2 8 O 0.60078584023821 0.73533774628696 0.84806487052742 15.999 > 2 9 O 0.14921415976179 0.26466225371304 0.34806487052742 15.999 > 3 10 O 0.64921415976179 0.26466225371304 0.34806487052742 15.999 > 3 11 O 0.14921415976179 0.76466225371304 0.34806487052742 15.999 > 3 12 O 0.64921415976179 0.76466225371304 0.34806487052742 15.999 > 3 13 O 0.35078584023821 0.01466225371304 0.65193512947258 15.999 > 4 14 O 0.85078584023821 0.01466225371304 0.65193512947258 15.999 > 4 15 O 0.35078584023821 0.51466225371304 0.65193512947258 15.999 > 4 16 O 0.85078584023821 0.51466225371304 0.65193512947258 15.999 > 4 17 O 0.10078584023821 0.01466225371304 0.84806487052742 15.999 > 5 18 O 0.60078584023821 0.01466225371304 0.84806487052742 15.999 > 5 19 O 0.10078584023821 0.51466225371304 0.84806487052742 15.999 > 5 20 O 0.60078584023821 0.51466225371304 0.84806487052742 15.999 > 5 21 O 0.39921415976179 0.26466225371304 0.15193512947258 15.999 > 6 22 O 0.89921415976179 0.26466225371304 0.15193512947258 15.999 > 6 23 O 0.39921415976179 0.76466225371304 0.15193512947258 15.999 > 6 24 O 0.89921415976179 0.76466225371304 0.15193512947258 15.999 > 6 25 O 0.35078584023821 0.23533774628696 0.65193512947258 15.999 > 7 26 O 0.85078584023821 0.23533774628696 0.65193512947258 15.999 > 7 27 O 0.35078584023821 0.73533774628696 0.65193512947258 15.999 > 7 28 O 0.85078584023821 0.73533774628696 0.65193512947258 15.999 > 7 29 O 0.14921415976179 0.48533774628696 0.34806487052742 15.999 > 8 30 O 0.64921415976179 0.48533774628696 0.34806487052742 15.999 > 8 31 O 0.14921415976179 0.98533774628696 0.34806487052742 15.999 > 8 32 O 0.64921415976179 0.98533774628696 0.34806487052742 15.999 > 8 *33 O 0.09799679616810 0.12500000000000 0.06393316863034 15.999 > 9 34 O 0.59799679616810 0.12500000000000 0.06393316863034 15.999 > 9 35 O 0.09799679616810 0.62500000000000 0.06393316863034 15.999 > 9 36 O 0.59799679616810 0.62500000000000 0.06393316863034 15.999 > 9 37 O 0.40200320383190 0.37500000000000 0.93606683136966 15.999 > 10 38 O 0.90200320383190 0.37500000000000 0.93606683136966 15.999 > 10 39 O 0.40200320383190 0.87500000000000 0.93606683136966 15.999 > 10 40 O 0.90200320383190 0.87500000000000 0.93606683136966 15.999 > 10 41 O 0.34799679616810 0.12500000000000 0.43606683136966 15.999 > 11 42 O 0.84799679616810 0.12500000000000 0.43606683136966 15.999 > 11 43 O 0.34799679616810 0.62500000000000 0.43606683136966 15.999 > 11 44 O 0.84799679616810 0.62500000000000 0.43606683136966 15.999 > 11 45 O 0.15200320383190 0.37500000000000 0.56393316863034 15.999 > 12 46 O 0.65200320383190 0.37500000000000 0.56393316863034 15.999 > 12 47 O 0.15200320383190 0.87500000000000 0.56393316863034 15.999 > 12 48 O 0.65200320383190 0.87500000000000 0.56393316863034 15.999 > 12 *49 O 0.01047743180622 0.37500000000000 0.42087589413473 15.999 > 13 50 O 0.51047743180622 0.37500000000000 0.42087589413473 15.999 > 13 51 O 0.01047743180622 0.87500000000000 0.42087589413473 15.999 > 13 52 O 0.51047743180622 0.87500000000000 0.42087589413473 15.999 > 13 53 O 0.48952256819378 0.12500000000000 0.57912410586527 15.999 > 14 54 O 0.98952256819378 0.12500000000000 0.57912410586527 15.999 > 14 55 O 0.48952256819378 0.62500000000000 0.57912410586527 15.999 > 14 56 O 0.98952256819378 0.62500000000000 0.57912410586527 15.999 > 14 57 O 0.26047743180622 0.37500000000000 0.07912410586527 15.999 > 15 58 O 0.76047743180622 0.37500000000000 0.07912410586527 15.999 > 15 59 O 0.26047743180622 0.87500000000000 0.07912410586527 15.999 > 15 60 O 0.76047743180622 0.87500000000000 0.07912410586527 15.999 > 15 61 O 0.23952256819378 0.12500000000000 0.92087589413473 15.999 > 16 62 O 0.73952256819378 0.12500000000000 0.92087589413473 15.999 > 16 63 O 0.23952256819378 0.62500000000000 0.92087589413473 15.999 > 16 64 O 0.73952256819378 0.62500000000000 0.92087589413473 15.999 > 16 *65 Se 0.13594013445311 0.12500000000000 0.92014405931902 78.960 > 17 66 Se 0.63594013445311 0.12500000000000 0.92014405931902 78.960 > 17 67 Se 0.13594013445311 0.62500000000000 0.92014405931902 78.960 > 17 68 Se 0.63594013445311 0.62500000000000 0.92014405931902 78.960 > 17 69 Se 0.36405986554689 0.37500000000000 0.07985594068098 78.960 > 18 70 Se 0.86405986554689 0.37500000000000 0.07985594068098 78.960 > 18 71 Se 0.36405986554689 0.87500000000000 0.07985594068098 78.960 > 18 72 Se 0.86405986554689 0.87500000000000 0.07985594068098 78.960 > 18 73 Se 0.38594013445311 0.12500000000000 0.57985594068098 78.960 > 19 74 Se 0.88594013445311 0.12500000000000 0.57985594068098 78.960 > 19 75 Se 0.38594013445311 0.62500000000000 0.57985594068098 78.960 > 19 76 Se 0.88594013445311 0.62500000000000 0.57985594068098 78.960 > 19 77 Se 0.11405986554689 0.37500000000000 0.42014405931902 78.960 > 20 78 Se 0.61405986554689 0.37500000000000 0.42014405931902 78.960 > 20 79 Se 0.11405986554689 0.87500000000000 0.42014405931902 78.960 > 20 80 Se 0.61405986554689 0.87500000000000 0.42014405931902 78.960 > 20 *81 Rb 0.25379994713358 0.12500000000000 0.20308072383129 85.468 > 21 82 Rb 0.75379994713358 0.12500000000000 0.20308072383129 85.468 > 21 83 Rb 0.25379994713358 0.62500000000000 0.20308072383129 85.468 > 21 84 Rb 0.75379994713358 0.62500000000000 0.20308072383129 85.468 > 21 85 Rb 0.24620005286642 0.37500000000000 0.79691927616871 85.468 > 22 86 Rb 0.74620005286642 0.37500000000000 0.79691927616871 85.468 > 22 87 Rb 0.24620005286642 0.87500000000000 0.79691927616871 85.468 > 22 88 Rb 0.74620005286642 0.87500000000000 0.79691927616871 85.468 > 22 89 Rb 0.00379994713358 0.12500000000000 0.29691927616871 85.468 > 23 90 Rb 0.50379994713358 0.12500000000000 0.29691927616871 85.468 > 23 91 Rb 0.00379994713358 0.62500000000000 0.29691927616871 85.468 > 23 92 Rb 0.50379994713358 0.62500000000000 0.29691927616871 85.468 > 23 93 Rb 0.49620005286642 0.37500000000000 0.70308072383129 85.468 > 24 94 Rb 0.99620005286642 0.37500000000000 0.70308072383129 85.468 > 24 95 Rb 0.49620005286642 0.87500000000000 0.70308072383129 85.468 > 24 96 Rb 0.99620005286642 0.87500000000000 0.70308072383129 85.468 > 24 *97 Rb 0.41570038649189 0.12500000000000 0.91432967400778 85.468 > 25 98 Rb 0.91570038649189 0.12500000000000 0.91432967400778 85.468 > 25 99 Rb 0.41570038649189 0.62500000000000 0.91432967400778 85.468 > 25 100 Rb 0.91570038649189 0.62500000000000 0.91432967400778 85.468 > 25 101 Rb 0.08429961350811 0.37500000000000 0.08567032599222 85.468 > 26 102 Rb 0.58429961350811 0.37500000000000 0.08567032599222 85.468 > 26 103 Rb 0.08429961350811 0.87500000000000 0.08567032599222 85.468 > 26 104 Rb 0.58429961350811 0.87500000000000 0.08567032599222 85.468 > 26 105 Rb 0.16570038649189 0.12500000000000 0.58567032599222 85.468 > 27 106 Rb 0.66570038649189 0.12500000000000 0.58567032599222 85.468 > 27 107 Rb 0.16570038649189 0.62500000000000 0.58567032599222 85.468 > 27 108 Rb 0.66570038649189 0.62500000000000 0.58567032599222 85.468 > 27 109 Rb 0.33429961350811 0.37500000000000 0.41432967400778 85.468 > 28 110 Rb 0.83429961350811 0.37500000000000 0.41432967400778 85.468 > 28 111 Rb 0.33429961350811 0.87500000000000 0.41432967400778 85.468 > 28 112 Rb 0.83429961350811 0.87500000000000 0.41432967400778 85.468 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6046974 0.0000000 0.0000000 0.0000000 2.5796659 0.0000000 0.0000000 0.0000000 2.5595630 -------------------------- Born effective charges -------------------------- 1 O -1.1704092 -0.2201348 -0.1544049 -0.2516636 -1.7202594 -0.3768026 -0.1062464 -0.3623933 -1.2432627 2 O -1.1704092 0.2201348 -0.1544049 0.2516636 -1.7202594 0.3768026 -0.1062464 0.3623933 -1.2432627 3 O -1.1704092 0.2201348 0.1544049 0.2516636 -1.7202594 -0.3768026 0.1062464 -0.3623933 -1.2432627 4 O -1.1704092 -0.2201348 0.1544049 -0.2516636 -1.7202594 0.3768026 0.1062464 0.3623933 -1.2432627 5 O -1.1704092 -0.2201348 -0.1544049 -0.2516636 -1.7202594 -0.3768026 -0.1062464 -0.3623933 -1.2432627 6 O -1.1704092 0.2201348 -0.1544049 0.2516636 -1.7202594 0.3768026 -0.1062464 0.3623933 -1.2432627 7 O -1.1704092 0.2201348 0.1544049 0.2516636 -1.7202594 -0.3768026 0.1062464 -0.3623933 -1.2432627 8 O -1.1704092 -0.2201348 0.1544049 -0.2516636 -1.7202594 0.3768026 0.1062464 0.3623933 -1.2432627 9 O -1.1943350 0.0000000 0.2931580 0.0000000 -1.0977630 0.0000000 0.2763175 0.0000000 -1.8707813 10 O -1.1943350 0.0000000 0.2931580 0.0000000 -1.0977630 0.0000000 0.2763175 0.0000000 -1.8707813 11 O -1.1943350 0.0000000 -0.2931580 0.0000000 -1.0977630 0.0000000 -0.2763175 0.0000000 -1.8707813 12 O -1.1943350 0.0000000 -0.2931580 0.0000000 -1.0977630 0.0000000 -0.2763175 0.0000000 -1.8707813 13 O -2.0080723 0.0000000 0.0508271 0.0000000 -0.9857606 0.0000000 0.0267942 0.0000000 -1.0163791 14 O -2.0080723 0.0000000 0.0508271 0.0000000 -0.9857606 0.0000000 0.0267942 0.0000000 -1.0163791 15 O -2.0080723 0.0000000 -0.0508271 0.0000000 -0.9857606 0.0000000 -0.0267942 0.0000000 -1.0163791 16 O -2.0080723 0.0000000 -0.0508271 0.0000000 -0.9857606 0.0000000 -0.0267942 0.0000000 -1.0163791 17 Se 2.9489837 0.0000000 0.0422711 0.0000000 2.9833511 0.0000000 -0.0056675 0.0000000 2.8424267 18 Se 2.9489837 0.0000000 0.0422711 0.0000000 2.9833511 0.0000000 -0.0056675 0.0000000 2.8424267 19 Se 2.9489837 0.0000000 -0.0422711 0.0000000 2.9833511 0.0000000 0.0056675 0.0000000 2.8424267 20 Se 2.9489837 0.0000000 -0.0422711 0.0000000 2.9833511 0.0000000 0.0056675 0.0000000 2.8424267 21 Rb 1.2389345 0.0000000 0.0097889 0.0000000 1.3136299 0.0000000 -0.0180038 0.0000000 1.3650626 22 Rb 1.2389345 0.0000000 0.0097889 0.0000000 1.3136299 0.0000000 -0.0180038 0.0000000 1.3650626 23 Rb 1.2389345 0.0000000 -0.0097889 0.0000000 1.3136299 0.0000000 0.0180038 0.0000000 1.3650626 24 Rb 1.2389345 0.0000000 -0.0097889 0.0000000 1.3136299 0.0000000 0.0180038 0.0000000 1.3650626 25 Rb 1.3553076 0.0000000 -0.0151182 0.0000000 1.2270615 0.0000000 0.0247798 0.0000000 1.1661965 26 Rb 1.3553076 0.0000000 -0.0151182 0.0000000 1.2270615 0.0000000 0.0247798 0.0000000 1.1661965 27 Rb 1.3553076 0.0000000 0.0151182 0.0000000 1.2270615 0.0000000 -0.0247798 0.0000000 1.1661965 28 Rb 1.3553076 0.0000000 0.0151182 0.0000000 1.2270615 0.0000000 -0.0247798 0.0000000 1.1661965 ---------------------------------------------------------------------------- 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: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.495 Solver_block: 200 / 480 - Time: 0.446 Solver_block: 300 / 480 - Time: 0.443 Solver_block: 400 / 480 - Time: 0.443 Solver_block: 480 / 480 - Time: 0.394 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.262 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), 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 20:19:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:19:45]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.019052349999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.177770259999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.845097459999998 Atomic positions (fractional): 1 O 0.79842831952357 0.97067549257393 0.15193512947258 15.999 2 O 0.20157168047643 0.47067549257392 0.84806487052742 15.999 3 O 0.29842831952357 0.52932450742607 0.34806487052742 15.999 4 O 0.70157168047643 0.02932450742608 0.65193512947258 15.999 5 O 0.20157168047643 0.02932450742608 0.84806487052742 15.999 6 O 0.79842831952357 0.52932450742607 0.15193512947258 15.999 7 O 0.70157168047643 0.47067549257392 0.65193512947258 15.999 8 O 0.29842831952357 0.97067549257393 0.34806487052742 15.999 9 O 0.19599359233621 0.25000000000000 0.06393316863034 15.999 10 O 0.80400640766379 0.75000000000000 0.93606683136966 15.999 11 O 0.69599359233621 0.25000000000000 0.43606683136966 15.999 12 O 0.30400640766379 0.75000000000000 0.56393316863034 15.999 13 O 0.02095486361245 0.75000000000000 0.42087589413473 15.999 14 O 0.97904513638755 0.25000000000000 0.57912410586527 15.999 15 O 0.52095486361245 0.75000000000000 0.07912410586527 15.999 16 O 0.47904513638755 0.25000000000000 0.92087589413473 15.999 17 Se 0.27188026890621 0.25000000000000 0.92014405931902 78.960 18 Se 0.72811973109379 0.75000000000000 0.07985594068098 78.960 19 Se 0.77188026890621 0.25000000000000 0.57985594068098 78.960 20 Se 0.22811973109378 0.75000000000000 0.42014405931902 78.960 21 Rb 0.50759989426716 0.25000000000000 0.20308072383129 85.468 22 Rb 0.49240010573284 0.75000000000000 0.79691927616871 85.468 23 Rb 0.00759989426716 0.25000000000000 0.29691927616871 85.468 24 Rb 0.99240010573284 0.75000000000000 0.70308072383129 85.468 25 Rb 0.83140077298378 0.25000000000000 0.91432967400778 85.468 26 Rb 0.16859922701622 0.75000000000000 0.08567032599222 85.468 27 Rb 0.33140077298378 0.25000000000000 0.58567032599222 85.468 28 Rb 0.66859922701622 0.75000000000000 0.41432967400778 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.038104699999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.355540519999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.845097459999998 Atomic positions (fractional): 1 O 0.39921415976179 0.48533774628696 0.15193512947258 15.999 > 1 2 O 0.89921415976179 0.48533774628696 0.15193512947258 15.999 > 1 3 O 0.39921415976179 0.98533774628696 0.15193512947258 15.999 > 1 4 O 0.89921415976179 0.98533774628696 0.15193512947258 15.999 > 1 5 O 0.10078584023821 0.23533774628696 0.84806487052742 15.999 > 5 6 O 0.60078584023821 0.23533774628696 0.84806487052742 15.999 > 5 7 O 0.10078584023821 0.73533774628696 0.84806487052742 15.999 > 5 8 O 0.60078584023821 0.73533774628696 0.84806487052742 15.999 > 5 9 O 0.14921415976179 0.26466225371304 0.34806487052742 15.999 > 9 10 O 0.64921415976179 0.26466225371304 0.34806487052742 15.999 > 9 11 O 0.14921415976179 0.76466225371304 0.34806487052742 15.999 > 9 12 O 0.64921415976179 0.76466225371304 0.34806487052742 15.999 > 9 13 O 0.35078584023821 0.01466225371304 0.65193512947258 15.999 > 13 14 O 0.85078584023821 0.01466225371304 0.65193512947258 15.999 > 13 15 O 0.35078584023821 0.51466225371304 0.65193512947258 15.999 > 13 16 O 0.85078584023821 0.51466225371304 0.65193512947258 15.999 > 13 17 O 0.10078584023821 0.01466225371304 0.84806487052742 15.999 > 17 18 O 0.60078584023821 0.01466225371304 0.84806487052742 15.999 > 17 19 O 0.10078584023821 0.51466225371304 0.84806487052742 15.999 > 17 20 O 0.60078584023821 0.51466225371304 0.84806487052742 15.999 > 17 21 O 0.39921415976179 0.26466225371304 0.15193512947258 15.999 > 21 22 O 0.89921415976179 0.26466225371304 0.15193512947258 15.999 > 21 23 O 0.39921415976179 0.76466225371304 0.15193512947258 15.999 > 21 24 O 0.89921415976179 0.76466225371304 0.15193512947258 15.999 > 21 25 O 0.35078584023821 0.23533774628696 0.65193512947258 15.999 > 25 26 O 0.85078584023821 0.23533774628696 0.65193512947258 15.999 > 25 27 O 0.35078584023821 0.73533774628696 0.65193512947258 15.999 > 25 28 O 0.85078584023821 0.73533774628696 0.65193512947258 15.999 > 25 29 O 0.14921415976179 0.48533774628696 0.34806487052742 15.999 > 29 30 O 0.64921415976179 0.48533774628696 0.34806487052742 15.999 > 29 31 O 0.14921415976179 0.98533774628696 0.34806487052742 15.999 > 29 32 O 0.64921415976179 0.98533774628696 0.34806487052742 15.999 > 29 33 O 0.09799679616810 0.12500000000000 0.06393316863034 15.999 > 33 34 O 0.59799679616810 0.12500000000000 0.06393316863034 15.999 > 33 35 O 0.09799679616810 0.62500000000000 0.06393316863034 15.999 > 33 36 O 0.59799679616810 0.62500000000000 0.06393316863034 15.999 > 33 37 O 0.40200320383190 0.37500000000000 0.93606683136966 15.999 > 37 38 O 0.90200320383190 0.37500000000000 0.93606683136966 15.999 > 37 39 O 0.40200320383190 0.87500000000000 0.93606683136966 15.999 > 37 40 O 0.90200320383190 0.87500000000000 0.93606683136966 15.999 > 37 41 O 0.34799679616810 0.12500000000000 0.43606683136966 15.999 > 41 42 O 0.84799679616810 0.12500000000000 0.43606683136966 15.999 > 41 43 O 0.34799679616810 0.62500000000000 0.43606683136966 15.999 > 41 44 O 0.84799679616810 0.62500000000000 0.43606683136966 15.999 > 41 45 O 0.15200320383190 0.37500000000000 0.56393316863034 15.999 > 45 46 O 0.65200320383190 0.37500000000000 0.56393316863034 15.999 > 45 47 O 0.15200320383190 0.87500000000000 0.56393316863034 15.999 > 45 48 O 0.65200320383190 0.87500000000000 0.56393316863034 15.999 > 45 49 O 0.01047743180622 0.37500000000000 0.42087589413473 15.999 > 49 50 O 0.51047743180622 0.37500000000000 0.42087589413473 15.999 > 49 51 O 0.01047743180622 0.87500000000000 0.42087589413473 15.999 > 49 52 O 0.51047743180622 0.87500000000000 0.42087589413473 15.999 > 49 53 O 0.48952256819378 0.12500000000000 0.57912410586527 15.999 > 53 54 O 0.98952256819378 0.12500000000000 0.57912410586527 15.999 > 53 55 O 0.48952256819378 0.62500000000000 0.57912410586527 15.999 > 53 56 O 0.98952256819378 0.62500000000000 0.57912410586527 15.999 > 53 57 O 0.26047743180622 0.37500000000000 0.07912410586527 15.999 > 57 58 O 0.76047743180622 0.37500000000000 0.07912410586527 15.999 > 57 59 O 0.26047743180622 0.87500000000000 0.07912410586527 15.999 > 57 60 O 0.76047743180622 0.87500000000000 0.07912410586527 15.999 > 57 61 O 0.23952256819378 0.12500000000000 0.92087589413473 15.999 > 61 62 O 0.73952256819378 0.12500000000000 0.92087589413473 15.999 > 61 63 O 0.23952256819378 0.62500000000000 0.92087589413473 15.999 > 61 64 O 0.73952256819378 0.62500000000000 0.92087589413473 15.999 > 61 65 Se 0.13594013445311 0.12500000000000 0.92014405931902 78.960 > 65 66 Se 0.63594013445311 0.12500000000000 0.92014405931902 78.960 > 65 67 Se 0.13594013445311 0.62500000000000 0.92014405931902 78.960 > 65 68 Se 0.63594013445311 0.62500000000000 0.92014405931902 78.960 > 65 69 Se 0.36405986554689 0.37500000000000 0.07985594068098 78.960 > 69 70 Se 0.86405986554689 0.37500000000000 0.07985594068098 78.960 > 69 71 Se 0.36405986554689 0.87500000000000 0.07985594068098 78.960 > 69 72 Se 0.86405986554689 0.87500000000000 0.07985594068098 78.960 > 69 73 Se 0.38594013445311 0.12500000000000 0.57985594068098 78.960 > 73 74 Se 0.88594013445311 0.12500000000000 0.57985594068098 78.960 > 73 75 Se 0.38594013445311 0.62500000000000 0.57985594068098 78.960 > 73 76 Se 0.88594013445311 0.62500000000000 0.57985594068098 78.960 > 73 77 Se 0.11405986554689 0.37500000000000 0.42014405931902 78.960 > 77 78 Se 0.61405986554689 0.37500000000000 0.42014405931902 78.960 > 77 79 Se 0.11405986554689 0.87500000000000 0.42014405931902 78.960 > 77 80 Se 0.61405986554689 0.87500000000000 0.42014405931902 78.960 > 77 81 Rb 0.25379994713358 0.12500000000000 0.20308072383129 85.468 > 81 82 Rb 0.75379994713358 0.12500000000000 0.20308072383129 85.468 > 81 83 Rb 0.25379994713358 0.62500000000000 0.20308072383129 85.468 > 81 84 Rb 0.75379994713358 0.62500000000000 0.20308072383129 85.468 > 81 85 Rb 0.24620005286642 0.37500000000000 0.79691927616871 85.468 > 85 86 Rb 0.74620005286642 0.37500000000000 0.79691927616871 85.468 > 85 87 Rb 0.24620005286642 0.87500000000000 0.79691927616871 85.468 > 85 88 Rb 0.74620005286642 0.87500000000000 0.79691927616871 85.468 > 85 89 Rb 0.00379994713358 0.12500000000000 0.29691927616871 85.468 > 89 90 Rb 0.50379994713358 0.12500000000000 0.29691927616871 85.468 > 89 91 Rb 0.00379994713358 0.62500000000000 0.29691927616871 85.468 > 89 92 Rb 0.50379994713358 0.62500000000000 0.29691927616871 85.468 > 89 93 Rb 0.49620005286642 0.37500000000000 0.70308072383129 85.468 > 93 94 Rb 0.99620005286642 0.37500000000000 0.70308072383129 85.468 > 93 95 Rb 0.49620005286642 0.87500000000000 0.70308072383129 85.468 > 93 96 Rb 0.99620005286642 0.87500000000000 0.70308072383129 85.468 > 93 97 Rb 0.41570038649189 0.12500000000000 0.91432967400778 85.468 > 97 98 Rb 0.91570038649189 0.12500000000000 0.91432967400778 85.468 > 97 99 Rb 0.41570038649189 0.62500000000000 0.91432967400778 85.468 > 97 100 Rb 0.91570038649189 0.62500000000000 0.91432967400778 85.468 > 97 101 Rb 0.08429961350811 0.37500000000000 0.08567032599222 85.468 > 101 102 Rb 0.58429961350811 0.37500000000000 0.08567032599222 85.468 > 101 103 Rb 0.08429961350811 0.87500000000000 0.08567032599222 85.468 > 101 104 Rb 0.58429961350811 0.87500000000000 0.08567032599222 85.468 > 101 105 Rb 0.16570038649189 0.12500000000000 0.58567032599222 85.468 > 105 106 Rb 0.66570038649189 0.12500000000000 0.58567032599222 85.468 > 105 107 Rb 0.16570038649189 0.62500000000000 0.58567032599222 85.468 > 105 108 Rb 0.66570038649189 0.62500000000000 0.58567032599222 85.468 > 105 109 Rb 0.33429961350811 0.37500000000000 0.41432967400778 85.468 > 109 110 Rb 0.83429961350811 0.37500000000000 0.41432967400778 85.468 > 109 111 Rb 0.33429961350811 0.87500000000000 0.41432967400778 85.468 > 109 112 Rb 0.83429961350811 0.87500000000000 0.41432967400778 85.468 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6046974 0.0000000 0.0000000 0.0000000 2.5796659 0.0000000 0.0000000 0.0000000 2.5595630 -------------------------- Born effective charges -------------------------- 1 O -1.1704092 -0.2201348 -0.1544049 -0.2516636 -1.7202594 -0.3768026 -0.1062464 -0.3623933 -1.2432627 2 O -1.1704092 0.2201348 -0.1544049 0.2516636 -1.7202594 0.3768026 -0.1062464 0.3623933 -1.2432627 3 O -1.1704092 0.2201348 0.1544049 0.2516636 -1.7202594 -0.3768026 0.1062464 -0.3623933 -1.2432627 4 O -1.1704092 -0.2201348 0.1544049 -0.2516636 -1.7202594 0.3768026 0.1062464 0.3623933 -1.2432627 5 O -1.1704092 -0.2201348 -0.1544049 -0.2516636 -1.7202594 -0.3768026 -0.1062464 -0.3623933 -1.2432627 6 O -1.1704092 0.2201348 -0.1544049 0.2516636 -1.7202594 0.3768026 -0.1062464 0.3623933 -1.2432627 7 O -1.1704092 0.2201348 0.1544049 0.2516636 -1.7202594 -0.3768026 0.1062464 -0.3623933 -1.2432627 8 O -1.1704092 -0.2201348 0.1544049 -0.2516636 -1.7202594 0.3768026 0.1062464 0.3623933 -1.2432627 9 O -1.1943350 0.0000000 0.2931580 0.0000000 -1.0977630 0.0000000 0.2763175 0.0000000 -1.8707813 10 O -1.1943350 0.0000000 0.2931580 0.0000000 -1.0977630 0.0000000 0.2763175 0.0000000 -1.8707813 11 O -1.1943350 0.0000000 -0.2931580 0.0000000 -1.0977630 0.0000000 -0.2763175 0.0000000 -1.8707813 12 O -1.1943350 0.0000000 -0.2931580 0.0000000 -1.0977630 0.0000000 -0.2763175 0.0000000 -1.8707813 13 O -2.0080723 0.0000000 0.0508271 0.0000000 -0.9857606 0.0000000 0.0267942 0.0000000 -1.0163791 14 O -2.0080723 0.0000000 0.0508271 0.0000000 -0.9857606 0.0000000 0.0267942 0.0000000 -1.0163791 15 O -2.0080723 0.0000000 -0.0508271 0.0000000 -0.9857606 0.0000000 -0.0267942 0.0000000 -1.0163791 16 O -2.0080723 0.0000000 -0.0508271 0.0000000 -0.9857606 0.0000000 -0.0267942 0.0000000 -1.0163791 17 Se 2.9489837 0.0000000 0.0422711 0.0000000 2.9833511 0.0000000 -0.0056675 0.0000000 2.8424267 18 Se 2.9489837 0.0000000 0.0422711 0.0000000 2.9833511 0.0000000 -0.0056675 0.0000000 2.8424267 19 Se 2.9489837 0.0000000 -0.0422711 0.0000000 2.9833511 0.0000000 0.0056675 0.0000000 2.8424267 20 Se 2.9489837 0.0000000 -0.0422711 0.0000000 2.9833511 0.0000000 0.0056675 0.0000000 2.8424267 21 Rb 1.2389345 0.0000000 0.0097889 0.0000000 1.3136299 0.0000000 -0.0180038 0.0000000 1.3650626 22 Rb 1.2389345 0.0000000 0.0097889 0.0000000 1.3136299 0.0000000 -0.0180038 0.0000000 1.3650626 23 Rb 1.2389345 0.0000000 -0.0097889 0.0000000 1.3136299 0.0000000 0.0180038 0.0000000 1.3650626 24 Rb 1.2389345 0.0000000 -0.0097889 0.0000000 1.3136299 0.0000000 0.0180038 0.0000000 1.3650626 25 Rb 1.3553076 0.0000000 -0.0151182 0.0000000 1.2270615 0.0000000 0.0247798 0.0000000 1.1661965 26 Rb 1.3553076 0.0000000 -0.0151182 0.0000000 1.2270615 0.0000000 0.0247798 0.0000000 1.1661965 27 Rb 1.3553076 0.0000000 0.0151182 0.0000000 1.2270615 0.0000000 -0.0247798 0.0000000 1.1661965 28 Rb 1.3553076 0.0000000 0.0151182 0.0000000 1.2270615 0.0000000 -0.0247798 0.0000000 1.1661965 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (yxy) -0.00000004 (yxy) -0.00000004 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:20:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:20:11]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.019052349999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.177770259999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.845097459999998 Atomic positions (fractional): 1 O 0.79842831952357 0.97067549257393 0.15193512947258 15.999 2 O 0.20157168047643 0.47067549257392 0.84806487052742 15.999 3 O 0.29842831952357 0.52932450742607 0.34806487052742 15.999 4 O 0.70157168047643 0.02932450742608 0.65193512947258 15.999 5 O 0.20157168047643 0.02932450742608 0.84806487052742 15.999 6 O 0.79842831952357 0.52932450742607 0.15193512947258 15.999 7 O 0.70157168047643 0.47067549257392 0.65193512947258 15.999 8 O 0.29842831952357 0.97067549257393 0.34806487052742 15.999 9 O 0.19599359233621 0.25000000000000 0.06393316863034 15.999 10 O 0.80400640766379 0.75000000000000 0.93606683136966 15.999 11 O 0.69599359233621 0.25000000000000 0.43606683136966 15.999 12 O 0.30400640766379 0.75000000000000 0.56393316863034 15.999 13 O 0.02095486361245 0.75000000000000 0.42087589413473 15.999 14 O 0.97904513638755 0.25000000000000 0.57912410586527 15.999 15 O 0.52095486361245 0.75000000000000 0.07912410586527 15.999 16 O 0.47904513638755 0.25000000000000 0.92087589413473 15.999 17 Se 0.27188026890621 0.25000000000000 0.92014405931902 78.960 18 Se 0.72811973109379 0.75000000000000 0.07985594068098 78.960 19 Se 0.77188026890621 0.25000000000000 0.57985594068098 78.960 20 Se 0.22811973109378 0.75000000000000 0.42014405931902 78.960 21 Rb 0.50759989426716 0.25000000000000 0.20308072383129 85.468 22 Rb 0.49240010573284 0.75000000000000 0.79691927616871 85.468 23 Rb 0.00759989426716 0.25000000000000 0.29691927616871 85.468 24 Rb 0.99240010573284 0.75000000000000 0.70308072383129 85.468 25 Rb 0.83140077298378 0.25000000000000 0.91432967400778 85.468 26 Rb 0.16859922701622 0.75000000000000 0.08567032599222 85.468 27 Rb 0.33140077298378 0.25000000000000 0.58567032599222 85.468 28 Rb 0.66859922701622 0.75000000000000 0.41432967400778 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.038104699999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.355540519999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.845097459999998 Atomic positions (fractional): 1 O 0.39921415976179 0.48533774628696 0.15193512947258 15.999 > 1 2 O 0.89921415976179 0.48533774628696 0.15193512947258 15.999 > 1 3 O 0.39921415976179 0.98533774628696 0.15193512947258 15.999 > 1 4 O 0.89921415976179 0.98533774628696 0.15193512947258 15.999 > 1 5 O 0.10078584023821 0.23533774628696 0.84806487052742 15.999 > 5 6 O 0.60078584023821 0.23533774628696 0.84806487052742 15.999 > 5 7 O 0.10078584023821 0.73533774628696 0.84806487052742 15.999 > 5 8 O 0.60078584023821 0.73533774628696 0.84806487052742 15.999 > 5 9 O 0.14921415976179 0.26466225371304 0.34806487052742 15.999 > 9 10 O 0.64921415976179 0.26466225371304 0.34806487052742 15.999 > 9 11 O 0.14921415976179 0.76466225371304 0.34806487052742 15.999 > 9 12 O 0.64921415976179 0.76466225371304 0.34806487052742 15.999 > 9 13 O 0.35078584023821 0.01466225371304 0.65193512947258 15.999 > 13 14 O 0.85078584023821 0.01466225371304 0.65193512947258 15.999 > 13 15 O 0.35078584023821 0.51466225371304 0.65193512947258 15.999 > 13 16 O 0.85078584023821 0.51466225371304 0.65193512947258 15.999 > 13 17 O 0.10078584023821 0.01466225371304 0.84806487052742 15.999 > 17 18 O 0.60078584023821 0.01466225371304 0.84806487052742 15.999 > 17 19 O 0.10078584023821 0.51466225371304 0.84806487052742 15.999 > 17 20 O 0.60078584023821 0.51466225371304 0.84806487052742 15.999 > 17 21 O 0.39921415976179 0.26466225371304 0.15193512947258 15.999 > 21 22 O 0.89921415976179 0.26466225371304 0.15193512947258 15.999 > 21 23 O 0.39921415976179 0.76466225371304 0.15193512947258 15.999 > 21 24 O 0.89921415976179 0.76466225371304 0.15193512947258 15.999 > 21 25 O 0.35078584023821 0.23533774628696 0.65193512947258 15.999 > 25 26 O 0.85078584023821 0.23533774628696 0.65193512947258 15.999 > 25 27 O 0.35078584023821 0.73533774628696 0.65193512947258 15.999 > 25 28 O 0.85078584023821 0.73533774628696 0.65193512947258 15.999 > 25 29 O 0.14921415976179 0.48533774628696 0.34806487052742 15.999 > 29 30 O 0.64921415976179 0.48533774628696 0.34806487052742 15.999 > 29 31 O 0.14921415976179 0.98533774628696 0.34806487052742 15.999 > 29 32 O 0.64921415976179 0.98533774628696 0.34806487052742 15.999 > 29 33 O 0.09799679616810 0.12500000000000 0.06393316863034 15.999 > 33 34 O 0.59799679616810 0.12500000000000 0.06393316863034 15.999 > 33 35 O 0.09799679616810 0.62500000000000 0.06393316863034 15.999 > 33 36 O 0.59799679616810 0.62500000000000 0.06393316863034 15.999 > 33 37 O 0.40200320383190 0.37500000000000 0.93606683136966 15.999 > 37 38 O 0.90200320383190 0.37500000000000 0.93606683136966 15.999 > 37 39 O 0.40200320383190 0.87500000000000 0.93606683136966 15.999 > 37 40 O 0.90200320383190 0.87500000000000 0.93606683136966 15.999 > 37 41 O 0.34799679616810 0.12500000000000 0.43606683136966 15.999 > 41 42 O 0.84799679616810 0.12500000000000 0.43606683136966 15.999 > 41 43 O 0.34799679616810 0.62500000000000 0.43606683136966 15.999 > 41 44 O 0.84799679616810 0.62500000000000 0.43606683136966 15.999 > 41 45 O 0.15200320383190 0.37500000000000 0.56393316863034 15.999 > 45 46 O 0.65200320383190 0.37500000000000 0.56393316863034 15.999 > 45 47 O 0.15200320383190 0.87500000000000 0.56393316863034 15.999 > 45 48 O 0.65200320383190 0.87500000000000 0.56393316863034 15.999 > 45 49 O 0.01047743180622 0.37500000000000 0.42087589413473 15.999 > 49 50 O 0.51047743180622 0.37500000000000 0.42087589413473 15.999 > 49 51 O 0.01047743180622 0.87500000000000 0.42087589413473 15.999 > 49 52 O 0.51047743180622 0.87500000000000 0.42087589413473 15.999 > 49 53 O 0.48952256819378 0.12500000000000 0.57912410586527 15.999 > 53 54 O 0.98952256819378 0.12500000000000 0.57912410586527 15.999 > 53 55 O 0.48952256819378 0.62500000000000 0.57912410586527 15.999 > 53 56 O 0.98952256819378 0.62500000000000 0.57912410586527 15.999 > 53 57 O 0.26047743180622 0.37500000000000 0.07912410586527 15.999 > 57 58 O 0.76047743180622 0.37500000000000 0.07912410586527 15.999 > 57 59 O 0.26047743180622 0.87500000000000 0.07912410586527 15.999 > 57 60 O 0.76047743180622 0.87500000000000 0.07912410586527 15.999 > 57 61 O 0.23952256819378 0.12500000000000 0.92087589413473 15.999 > 61 62 O 0.73952256819378 0.12500000000000 0.92087589413473 15.999 > 61 63 O 0.23952256819378 0.62500000000000 0.92087589413473 15.999 > 61 64 O 0.73952256819378 0.62500000000000 0.92087589413473 15.999 > 61 65 Se 0.13594013445311 0.12500000000000 0.92014405931902 78.960 > 65 66 Se 0.63594013445311 0.12500000000000 0.92014405931902 78.960 > 65 67 Se 0.13594013445311 0.62500000000000 0.92014405931902 78.960 > 65 68 Se 0.63594013445311 0.62500000000000 0.92014405931902 78.960 > 65 69 Se 0.36405986554689 0.37500000000000 0.07985594068098 78.960 > 69 70 Se 0.86405986554689 0.37500000000000 0.07985594068098 78.960 > 69 71 Se 0.36405986554689 0.87500000000000 0.07985594068098 78.960 > 69 72 Se 0.86405986554689 0.87500000000000 0.07985594068098 78.960 > 69 73 Se 0.38594013445311 0.12500000000000 0.57985594068098 78.960 > 73 74 Se 0.88594013445311 0.12500000000000 0.57985594068098 78.960 > 73 75 Se 0.38594013445311 0.62500000000000 0.57985594068098 78.960 > 73 76 Se 0.88594013445311 0.62500000000000 0.57985594068098 78.960 > 73 77 Se 0.11405986554689 0.37500000000000 0.42014405931902 78.960 > 77 78 Se 0.61405986554689 0.37500000000000 0.42014405931902 78.960 > 77 79 Se 0.11405986554689 0.87500000000000 0.42014405931902 78.960 > 77 80 Se 0.61405986554689 0.87500000000000 0.42014405931902 78.960 > 77 81 Rb 0.25379994713358 0.12500000000000 0.20308072383129 85.468 > 81 82 Rb 0.75379994713358 0.12500000000000 0.20308072383129 85.468 > 81 83 Rb 0.25379994713358 0.62500000000000 0.20308072383129 85.468 > 81 84 Rb 0.75379994713358 0.62500000000000 0.20308072383129 85.468 > 81 85 Rb 0.24620005286642 0.37500000000000 0.79691927616871 85.468 > 85 86 Rb 0.74620005286642 0.37500000000000 0.79691927616871 85.468 > 85 87 Rb 0.24620005286642 0.87500000000000 0.79691927616871 85.468 > 85 88 Rb 0.74620005286642 0.87500000000000 0.79691927616871 85.468 > 85 89 Rb 0.00379994713358 0.12500000000000 0.29691927616871 85.468 > 89 90 Rb 0.50379994713358 0.12500000000000 0.29691927616871 85.468 > 89 91 Rb 0.00379994713358 0.62500000000000 0.29691927616871 85.468 > 89 92 Rb 0.50379994713358 0.62500000000000 0.29691927616871 85.468 > 89 93 Rb 0.49620005286642 0.37500000000000 0.70308072383129 85.468 > 93 94 Rb 0.99620005286642 0.37500000000000 0.70308072383129 85.468 > 93 95 Rb 0.49620005286642 0.87500000000000 0.70308072383129 85.468 > 93 96 Rb 0.99620005286642 0.87500000000000 0.70308072383129 85.468 > 93 97 Rb 0.41570038649189 0.12500000000000 0.91432967400778 85.468 > 97 98 Rb 0.91570038649189 0.12500000000000 0.91432967400778 85.468 > 97 99 Rb 0.41570038649189 0.62500000000000 0.91432967400778 85.468 > 97 100 Rb 0.91570038649189 0.62500000000000 0.91432967400778 85.468 > 97 101 Rb 0.08429961350811 0.37500000000000 0.08567032599222 85.468 > 101 102 Rb 0.58429961350811 0.37500000000000 0.08567032599222 85.468 > 101 103 Rb 0.08429961350811 0.87500000000000 0.08567032599222 85.468 > 101 104 Rb 0.58429961350811 0.87500000000000 0.08567032599222 85.468 > 101 105 Rb 0.16570038649189 0.12500000000000 0.58567032599222 85.468 > 105 106 Rb 0.66570038649189 0.12500000000000 0.58567032599222 85.468 > 105 107 Rb 0.16570038649189 0.62500000000000 0.58567032599222 85.468 > 105 108 Rb 0.66570038649189 0.62500000000000 0.58567032599222 85.468 > 105 109 Rb 0.33429961350811 0.37500000000000 0.41432967400778 85.468 > 109 110 Rb 0.83429961350811 0.37500000000000 0.41432967400778 85.468 > 109 111 Rb 0.33429961350811 0.87500000000000 0.41432967400778 85.468 > 109 112 Rb 0.83429961350811 0.87500000000000 0.41432967400778 85.468 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6046974 0.0000000 0.0000000 0.0000000 2.5796659 0.0000000 0.0000000 0.0000000 2.5595630 -------------------------- Born effective charges -------------------------- 1 O -1.1704092 -0.2201348 -0.1544049 -0.2516636 -1.7202594 -0.3768026 -0.1062464 -0.3623933 -1.2432627 2 O -1.1704092 0.2201348 -0.1544049 0.2516636 -1.7202594 0.3768026 -0.1062464 0.3623933 -1.2432627 3 O -1.1704092 0.2201348 0.1544049 0.2516636 -1.7202594 -0.3768026 0.1062464 -0.3623933 -1.2432627 4 O -1.1704092 -0.2201348 0.1544049 -0.2516636 -1.7202594 0.3768026 0.1062464 0.3623933 -1.2432627 5 O -1.1704092 -0.2201348 -0.1544049 -0.2516636 -1.7202594 -0.3768026 -0.1062464 -0.3623933 -1.2432627 6 O -1.1704092 0.2201348 -0.1544049 0.2516636 -1.7202594 0.3768026 -0.1062464 0.3623933 -1.2432627 7 O -1.1704092 0.2201348 0.1544049 0.2516636 -1.7202594 -0.3768026 0.1062464 -0.3623933 -1.2432627 8 O -1.1704092 -0.2201348 0.1544049 -0.2516636 -1.7202594 0.3768026 0.1062464 0.3623933 -1.2432627 9 O -1.1943350 0.0000000 0.2931580 0.0000000 -1.0977630 0.0000000 0.2763175 0.0000000 -1.8707813 10 O -1.1943350 0.0000000 0.2931580 0.0000000 -1.0977630 0.0000000 0.2763175 0.0000000 -1.8707813 11 O -1.1943350 0.0000000 -0.2931580 0.0000000 -1.0977630 0.0000000 -0.2763175 0.0000000 -1.8707813 12 O -1.1943350 0.0000000 -0.2931580 0.0000000 -1.0977630 0.0000000 -0.2763175 0.0000000 -1.8707813 13 O -2.0080723 0.0000000 0.0508271 0.0000000 -0.9857606 0.0000000 0.0267942 0.0000000 -1.0163791 14 O -2.0080723 0.0000000 0.0508271 0.0000000 -0.9857606 0.0000000 0.0267942 0.0000000 -1.0163791 15 O -2.0080723 0.0000000 -0.0508271 0.0000000 -0.9857606 0.0000000 -0.0267942 0.0000000 -1.0163791 16 O -2.0080723 0.0000000 -0.0508271 0.0000000 -0.9857606 0.0000000 -0.0267942 0.0000000 -1.0163791 17 Se 2.9489837 0.0000000 0.0422711 0.0000000 2.9833511 0.0000000 -0.0056675 0.0000000 2.8424267 18 Se 2.9489837 0.0000000 0.0422711 0.0000000 2.9833511 0.0000000 -0.0056675 0.0000000 2.8424267 19 Se 2.9489837 0.0000000 -0.0422711 0.0000000 2.9833511 0.0000000 0.0056675 0.0000000 2.8424267 20 Se 2.9489837 0.0000000 -0.0422711 0.0000000 2.9833511 0.0000000 0.0056675 0.0000000 2.8424267 21 Rb 1.2389345 0.0000000 0.0097889 0.0000000 1.3136299 0.0000000 -0.0180038 0.0000000 1.3650626 22 Rb 1.2389345 0.0000000 0.0097889 0.0000000 1.3136299 0.0000000 -0.0180038 0.0000000 1.3650626 23 Rb 1.2389345 0.0000000 -0.0097889 0.0000000 1.3136299 0.0000000 0.0180038 0.0000000 1.3650626 24 Rb 1.2389345 0.0000000 -0.0097889 0.0000000 1.3136299 0.0000000 0.0180038 0.0000000 1.3650626 25 Rb 1.3553076 0.0000000 -0.0151182 0.0000000 1.2270615 0.0000000 0.0247798 0.0000000 1.1661965 26 Rb 1.3553076 0.0000000 -0.0151182 0.0000000 1.2270615 0.0000000 0.0247798 0.0000000 1.1661965 27 Rb 1.3553076 0.0000000 0.0151182 0.0000000 1.2270615 0.0000000 -0.0247798 0.0000000 1.1661965 28 Rb 1.3553076 0.0000000 0.0151182 0.0000000 1.2270615 0.0000000 -0.0247798 0.0000000 1.1661965 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yxy) -0.00000004 (yxy) -0.00000004 (yyx) 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 ... [ 6 8 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: 0.51, Number of G-points: 313, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.290 ( 0.000 0.000 0.000) 0.000 0.923 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 0.000) 0.000 1.329 ( 0.000 0.000 0.000) 0.000 1.330 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.625 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.133 ( 0.000 0.000 0.000) 0.000 9.174 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 11.332 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 11.491 ( 0.000 0.000 0.000) 0.000 11.502 ( 0.000 0.000 0.000) 0.000 11.529 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 11.859 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 24.198 ( 0.000 0.000 0.000) 0.000 24.211 ( 0.000 0.000 0.000) 0.000 24.213 ( 0.000 0.000 0.000) 0.000 24.232 ( 0.000 0.000 0.000) 0.000 24.616 ( 0.000 0.000 0.000) 0.000 24.781 ( 0.000 0.000 0.000) 0.000 24.882 ( 0.000 0.000 0.000) 0.000 24.888 ( 0.000 0.000 0.000) 0.000 24.889 ( 0.000 0.000 0.000) 0.000 24.901 ( 0.000 0.000 0.000) 0.000 24.920 ( 0.000 0.000 0.000) 0.000 25.305 ( 0.000 0.000 0.000) 0.000 25.558 ( 0.000 0.000 0.000) 0.000 25.602 ( 0.000 0.000 0.000) 0.000 25.833 ( 0.000 0.000 0.000) 0.000 25.889 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 5.399 0.000 0.000) 5.399 0.364 ( 16.479 0.000 0.000) 16.479 0.394 ( 18.545 0.000 0.000) 18.545 0.710 ( 32.975 0.000 0.000) 32.975 1.005 ( 6.656 0.000 0.000) 6.656 1.281 ( -4.706 0.000 0.000) 4.706 1.282 ( 5.203 0.000 0.000) 5.203 1.414 ( 6.897 0.000 0.000) 6.897 1.458 ( 1.003 0.000 0.000) 1.003 1.553 ( -2.981 0.000 0.000) 2.981 1.609 ( 2.068 0.000 0.000) 2.068 1.687 ( 4.391 0.000 0.000) 4.391 1.715 ( -4.189 0.000 0.000) 4.189 1.744 ( -2.750 0.000 0.000) 2.750 1.867 ( -5.945 0.000 0.000) 5.945 1.872 ( 1.231 0.000 0.000) 1.231 1.987 ( 1.729 0.000 0.000) 1.729 2.030 ( -0.802 0.000 0.000) 0.802 2.071 ( 0.031 0.000 0.000) 0.031 2.071 ( 5.607 0.000 0.000) 5.607 2.134 ( 6.433 0.000 0.000) 6.433 2.234 ( 4.367 0.000 0.000) 4.367 2.254 ( -1.422 0.000 0.000) 1.422 2.396 ( 3.283 0.000 0.000) 3.283 2.397 ( 3.162 0.000 0.000) 3.162 2.426 ( 0.948 0.000 0.000) 0.948 2.520 ( -2.921 0.000 0.000) 2.921 2.520 ( -0.408 0.000 0.000) 0.408 2.560 ( -2.567 0.000 0.000) 2.567 2.697 ( 2.829 0.000 0.000) 2.829 2.709 ( 0.396 0.000 0.000) 0.396 2.729 ( 1.955 0.000 0.000) 1.955 2.769 ( -5.772 0.000 0.000) 5.772 2.870 ( -5.625 0.000 0.000) 5.625 2.890 ( -2.386 0.000 0.000) 2.386 2.905 ( -2.072 0.000 0.000) 2.072 3.032 ( -0.788 0.000 0.000) 0.788 3.144 ( -1.122 0.000 0.000) 1.122 3.154 ( -0.590 0.000 0.000) 0.590 3.161 ( -6.698 0.000 0.000) 6.698 3.265 ( -4.427 0.000 0.000) 4.427 3.277 ( 2.650 0.000 0.000) 2.650 3.317 ( 1.330 0.000 0.000) 1.330 3.416 ( -0.757 0.000 0.000) 0.757 3.458 ( 3.325 0.000 0.000) 3.325 3.574 ( 2.515 0.000 0.000) 2.515 3.698 ( 4.220 0.000 0.000) 4.220 4.432 ( -6.072 0.000 0.000) 6.072 9.066 ( 0.689 0.000 0.000) 0.689 9.143 ( 1.038 0.000 0.000) 1.038 9.144 ( 1.405 0.000 0.000) 1.405 9.206 ( 2.901 0.000 0.000) 2.901 9.227 ( -2.653 0.000 0.000) 2.653 9.305 ( -1.302 0.000 0.000) 1.302 9.345 ( -1.522 0.000 0.000) 1.522 9.417 ( 1.020 0.000 0.000) 1.020 11.189 ( 0.935 0.000 0.000) 0.935 11.314 ( 1.027 0.000 0.000) 1.027 11.315 ( 1.148 0.000 0.000) 1.148 11.323 ( -0.868 0.000 0.000) 0.868 11.408 ( -4.981 0.000 0.000) 4.981 11.494 ( -0.809 0.000 0.000) 0.809 11.518 ( -1.025 0.000 0.000) 1.025 11.634 ( -7.673 0.000 0.000) 7.673 11.776 ( 6.350 0.000 0.000) 6.350 11.935 ( 4.071 0.000 0.000) 4.071 12.163 ( -0.458 0.000 0.000) 0.458 12.223 ( -0.992 0.000 0.000) 0.992 24.199 ( 0.136 0.000 0.000) 0.136 24.211 ( -0.037 0.000 0.000) 0.037 24.234 ( 0.143 0.000 0.000) 0.143 24.241 ( 0.062 0.000 0.000) 0.062 24.623 ( 0.655 0.000 0.000) 0.655 24.756 ( -1.936 0.000 0.000) 1.936 24.884 ( 0.199 0.000 0.000) 0.199 24.889 ( 0.052 0.000 0.000) 0.052 24.900 ( -0.019 0.000 0.000) 0.019 24.918 ( -0.197 0.000 0.000) 0.197 24.928 ( 3.419 0.000 0.000) 3.419 25.502 ( -5.251 0.000 0.000) 5.251 25.665 ( 5.105 0.000 0.000) 5.105 25.829 ( 0.025 0.000 0.000) 0.025 25.922 ( 3.409 0.000 0.000) 3.409 26.401 ( -2.117 0.000 0.000) 2.117 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 8.367 0.000 0.000) 8.367 0.643 ( 8.517 0.000 0.000) 8.517 0.758 ( 16.002 0.000 0.000) 16.002 1.106 ( 2.448 0.000 0.000) 2.448 1.183 ( -2.353 0.000 0.000) 2.353 1.360 ( 27.165 0.000 0.000) 27.165 1.374 ( 0.406 0.000 0.000) 0.406 1.486 ( -1.285 0.000 0.000) 1.285 1.503 ( 2.904 0.000 0.000) 2.904 1.532 ( 2.557 0.000 0.000) 2.557 1.610 ( -4.799 0.000 0.000) 4.799 1.674 ( -3.632 0.000 0.000) 3.632 1.678 ( 4.967 0.000 0.000) 4.967 1.719 ( -4.971 0.000 0.000) 4.971 1.823 ( 5.861 0.000 0.000) 5.861 1.901 ( 2.220 0.000 0.000) 2.220 2.024 ( 1.998 0.000 0.000) 1.998 2.032 ( 1.220 0.000 0.000) 1.220 2.050 ( -2.522 0.000 0.000) 2.522 2.164 ( 1.203 0.000 0.000) 1.203 2.165 ( -2.866 0.000 0.000) 2.866 2.330 ( 4.358 0.000 0.000) 4.358 2.333 ( 7.092 0.000 0.000) 7.092 2.437 ( -0.183 0.000 0.000) 0.183 2.455 ( 1.008 0.000 0.000) 1.008 2.467 ( -11.550 0.000 0.000) 11.550 2.510 ( -4.620 0.000 0.000) 4.620 2.514 ( 0.030 0.000 0.000) 0.030 2.526 ( -0.276 0.000 0.000) 0.276 2.530 ( 8.275 0.000 0.000) 8.275 2.663 ( -2.348 0.000 0.000) 2.348 2.760 ( 1.215 0.000 0.000) 1.215 2.776 ( -0.144 0.000 0.000) 0.144 2.805 ( -0.735 0.000 0.000) 0.735 2.850 ( -2.942 0.000 0.000) 2.942 2.892 ( 2.649 0.000 0.000) 2.649 3.030 ( 0.877 0.000 0.000) 0.877 3.052 ( -3.034 0.000 0.000) 3.034 3.108 ( -4.695 0.000 0.000) 4.695 3.111 ( -2.031 0.000 0.000) 2.031 3.191 ( -1.690 0.000 0.000) 1.690 3.286 ( -2.140 0.000 0.000) 2.140 3.346 ( 1.397 0.000 0.000) 1.397 3.396 ( -1.075 0.000 0.000) 1.075 3.520 ( 2.677 0.000 0.000) 2.677 3.586 ( -0.560 0.000 0.000) 0.560 3.836 ( 8.336 0.000 0.000) 8.336 4.258 ( -10.205 0.000 0.000) 10.205 9.087 ( 1.357 0.000 0.000) 1.357 9.170 ( -2.609 0.000 0.000) 2.609 9.174 ( 1.858 0.000 0.000) 1.858 9.184 ( 2.405 0.000 0.000) 2.405 9.269 ( -2.089 0.000 0.000) 2.089 9.284 ( 4.216 0.000 0.000) 4.216 9.302 ( -2.551 0.000 0.000) 2.551 9.418 ( -1.190 0.000 0.000) 1.190 11.219 ( 1.960 0.000 0.000) 1.960 11.298 ( -1.501 0.000 0.000) 1.501 11.335 ( -1.504 0.000 0.000) 1.504 11.341 ( 1.422 0.000 0.000) 1.422 11.345 ( 1.471 0.000 0.000) 1.471 11.473 ( -1.013 0.000 0.000) 1.013 11.475 ( -7.116 0.000 0.000) 7.116 11.490 ( -1.544 0.000 0.000) 1.544 11.904 ( 5.548 0.000 0.000) 5.548 11.995 ( 1.574 0.000 0.000) 1.574 12.153 ( -0.367 0.000 0.000) 0.367 12.191 ( -1.918 0.000 0.000) 1.918 24.203 ( 0.219 0.000 0.000) 0.219 24.209 ( -0.076 0.000 0.000) 0.076 24.237 ( 0.174 0.000 0.000) 0.174 24.242 ( -0.006 0.000 0.000) 0.006 24.643 ( 1.250 0.000 0.000) 1.250 24.714 ( -2.033 0.000 0.000) 2.033 24.889 ( 0.224 0.000 0.000) 0.224 24.890 ( 0.074 0.000 0.000) 0.074 24.901 ( 0.073 0.000 0.000) 0.073 24.912 ( -0.336 0.000 0.000) 0.336 25.027 ( 6.133 0.000 0.000) 6.133 25.355 ( -8.313 0.000 0.000) 8.313 25.763 ( 3.614 0.000 0.000) 3.614 25.828 ( -0.217 0.000 0.000) 0.217 26.039 ( 7.549 0.000 0.000) 7.549 26.331 ( -4.762 0.000 0.000) 4.762 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -5.721 0.000 0.000) 5.721 0.658 ( 5.721 0.000 0.000) 5.721 1.032 ( -9.405 0.000 0.000) 9.405 1.032 ( 9.405 0.000 0.000) 9.405 1.254 ( -7.734 0.000 0.000) 7.734 1.254 ( 7.734 0.000 0.000) 7.734 1.534 ( -1.890 0.000 0.000) 1.890 1.534 ( 1.890 0.000 0.000) 1.890 1.545 ( -0.433 0.000 0.000) 0.433 1.545 ( 0.433 0.000 0.000) 0.433 1.634 ( -1.703 0.000 0.000) 1.703 1.634 ( 1.703 0.000 0.000) 1.703 1.738 ( -3.423 0.000 0.000) 3.423 1.738 ( 3.423 0.000 0.000) 3.423 1.959 ( -6.046 0.000 0.000) 6.046 1.959 ( 6.046 0.000 0.000) 6.046 2.030 ( -8.619 0.000 0.000) 8.619 2.030 ( 8.619 0.000 0.000) 8.619 2.072 ( -5.056 0.000 0.000) 5.056 2.072 ( 5.056 0.000 0.000) 5.056 2.168 ( -3.274 0.000 0.000) 3.274 2.168 ( 3.274 0.000 0.000) 3.274 2.403 ( -2.590 0.000 0.000) 2.590 2.403 ( 2.590 0.000 0.000) 2.590 2.445 ( -2.268 0.000 0.000) 2.268 2.445 ( 2.268 0.000 0.000) 2.268 2.523 ( -0.508 0.000 0.000) 0.508 2.523 ( 0.508 0.000 0.000) 0.508 2.539 ( -2.994 0.000 0.000) 2.994 2.539 ( 2.994 0.000 0.000) 2.994 2.733 ( -2.878 0.000 0.000) 2.878 2.733 ( 2.878 0.000 0.000) 2.878 2.794 ( -2.240 0.000 0.000) 2.240 2.794 ( 2.240 0.000 0.000) 2.240 2.875 ( -6.908 0.000 0.000) 6.908 2.875 ( 6.908 0.000 0.000) 6.908 3.027 ( -0.475 0.000 0.000) 0.475 3.027 ( 0.475 0.000 0.000) 0.475 3.065 ( -2.194 0.000 0.000) 2.194 3.065 ( 2.194 0.000 0.000) 2.194 3.213 ( -3.564 0.000 0.000) 3.564 3.213 ( 3.564 0.000 0.000) 3.564 3.373 ( -1.162 0.000 0.000) 1.162 3.373 ( 1.162 0.000 0.000) 1.162 3.565 ( -1.546 0.000 0.000) 1.546 3.565 ( 1.546 0.000 0.000) 1.546 4.034 ( -10.605 0.000 0.000) 10.605 4.034 ( 10.605 0.000 0.000) 10.605 9.122 ( -1.996 0.000 0.000) 1.996 9.122 ( 1.996 0.000 0.000) 1.996 9.216 ( -1.666 0.000 0.000) 1.666 9.216 ( 1.666 0.000 0.000) 1.666 9.247 ( -2.242 0.000 0.000) 2.242 9.247 ( 2.242 0.000 0.000) 2.242 9.367 ( -3.517 0.000 0.000) 3.517 9.367 ( 3.517 0.000 0.000) 3.517 11.263 ( -1.936 0.000 0.000) 1.936 11.263 ( 1.936 0.000 0.000) 1.936 11.357 ( -3.731 0.000 0.000) 3.731 11.357 ( 3.731 0.000 0.000) 3.731 11.362 ( -0.181 0.000 0.000) 0.181 11.362 ( 0.181 0.000 0.000) 0.181 11.464 ( -0.515 0.000 0.000) 0.515 11.464 ( 0.515 0.000 0.000) 0.515 11.990 ( -2.328 0.000 0.000) 2.328 11.990 ( 2.328 0.000 0.000) 2.328 12.157 ( -0.978 0.000 0.000) 0.978 12.157 ( 0.978 0.000 0.000) 0.978 24.207 ( -0.153 0.000 0.000) 0.153 24.207 ( 0.153 0.000 0.000) 0.153 24.241 ( -0.130 0.000 0.000) 0.130 24.241 ( 0.130 0.000 0.000) 0.130 24.674 ( -1.726 0.000 0.000) 1.726 24.674 ( 1.726 0.000 0.000) 1.726 24.891 ( -0.000 0.000 0.000) 0.000 24.891 ( 0.000 0.000 0.000) 0.000 24.905 ( -0.322 0.000 0.000) 0.322 24.905 ( 0.322 0.000 0.000) 0.322 25.179 ( -8.225 0.000 0.000) 8.225 25.179 ( 8.225 0.000 0.000) 8.225 25.813 ( -1.393 0.000 0.000) 1.393 25.813 ( 1.393 0.000 0.000) 1.393 26.202 ( -7.439 0.000 0.000) 7.439 26.202 ( 7.439 0.000 0.000) 7.439 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( 0.000 12.772 0.000) 12.772 0.357 ( 0.000 17.555 0.000) 17.555 0.571 ( 0.000 20.399 0.000) 20.399 0.598 ( 0.000 21.796 0.000) 21.796 0.971 ( 0.000 8.812 0.000) 8.812 1.211 ( 0.000 -0.335 0.000) 0.335 1.382 ( 0.000 4.671 0.000) 4.671 1.427 ( 0.000 5.760 0.000) 5.760 1.524 ( 0.000 -4.077 0.000) 4.077 1.663 ( 0.000 -2.456 0.000) 2.456 1.677 ( 0.000 5.573 0.000) 5.573 1.683 ( 0.000 4.873 0.000) 4.873 1.772 ( 0.000 5.182 0.000) 5.182 1.845 ( 0.000 0.596 0.000) 0.596 1.861 ( 0.000 4.350 0.000) 4.350 1.940 ( 0.000 -2.748 0.000) 2.748 1.951 ( 0.000 2.149 0.000) 2.149 2.027 ( 0.000 -1.934 0.000) 1.934 2.034 ( 0.000 -1.806 0.000) 1.806 2.038 ( 0.000 3.340 0.000) 3.340 2.134 ( 0.000 4.192 0.000) 4.192 2.145 ( 0.000 -3.638 0.000) 3.638 2.200 ( 0.000 -5.565 0.000) 5.565 2.329 ( 0.000 -4.211 0.000) 4.211 2.332 ( 0.000 1.192 0.000) 1.192 2.395 ( 0.000 1.068 0.000) 1.068 2.570 ( 0.000 -0.135 0.000) 0.135 2.613 ( 0.000 -4.463 0.000) 4.463 2.631 ( 0.000 0.867 0.000) 0.867 2.678 ( 0.000 3.500 0.000) 3.500 2.712 ( 0.000 1.620 0.000) 1.620 2.779 ( 0.000 4.208 0.000) 4.208 2.866 ( 0.000 -2.298 0.000) 2.298 2.879 ( 0.000 3.960 0.000) 3.960 2.931 ( 0.000 0.637 0.000) 0.637 3.000 ( 0.000 1.174 0.000) 1.174 3.071 ( 0.000 1.673 0.000) 1.673 3.073 ( 0.000 -3.852 0.000) 3.852 3.137 ( 0.000 -3.180 0.000) 3.180 3.213 ( 0.000 -1.058 0.000) 1.058 3.317 ( 0.000 1.789 0.000) 1.789 3.333 ( 0.000 1.088 0.000) 1.088 3.396 ( 0.000 -0.350 0.000) 0.350 3.426 ( 0.000 -0.900 0.000) 0.900 3.529 ( 0.000 1.095 0.000) 1.095 3.556 ( 0.000 1.274 0.000) 1.274 3.650 ( 0.000 -0.961 0.000) 0.961 4.163 ( 0.000 -5.533 0.000) 5.533 9.042 ( 0.000 -1.090 0.000) 1.090 9.141 ( 0.000 0.461 0.000) 0.461 9.144 ( 0.000 -2.439 0.000) 2.439 9.171 ( 0.000 3.488 0.000) 3.488 9.275 ( 0.000 1.716 0.000) 1.716 9.303 ( 0.000 -3.569 0.000) 3.569 9.347 ( 0.000 2.237 0.000) 2.237 9.455 ( 0.000 3.241 0.000) 3.241 11.183 ( 0.000 0.340 0.000) 0.340 11.240 ( 0.000 -3.921 0.000) 3.921 11.334 ( 0.000 0.220 0.000) 0.220 11.492 ( 0.000 0.567 0.000) 0.567 11.516 ( 0.000 1.334 0.000) 1.334 11.559 ( 0.000 2.346 0.000) 2.346 11.573 ( 0.000 6.072 0.000) 6.072 11.699 ( 0.000 1.318 0.000) 1.318 11.729 ( 0.000 -1.751 0.000) 1.751 11.843 ( 0.000 -1.569 0.000) 1.569 11.960 ( 0.000 -0.632 0.000) 0.632 12.137 ( 0.000 -2.971 0.000) 2.971 24.198 ( 0.000 0.060 0.000) 0.060 24.211 ( 0.000 -0.013 0.000) 0.013 24.213 ( 0.000 0.035 0.000) 0.035 24.228 ( 0.000 -0.373 0.000) 0.373 24.620 ( 0.000 0.368 0.000) 0.368 24.756 ( 0.000 -1.759 0.000) 1.759 24.856 ( 0.000 -1.639 0.000) 1.639 24.902 ( 0.000 -1.764 0.000) 1.764 24.942 ( 0.000 4.107 0.000) 4.107 24.948 ( 0.000 3.789 0.000) 3.789 25.318 ( 0.000 1.129 0.000) 1.129 25.541 ( 0.000 -1.626 0.000) 1.626 25.601 ( 0.000 -0.075 0.000) 0.075 25.833 ( 0.000 0.316 0.000) 0.316 25.857 ( 0.000 -3.054 0.000) 3.054 26.099 ( 0.000 -0.254 0.000) 0.254 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 13.434 10.091 0.000) 16.801 0.493 ( 15.586 8.209 0.000) 17.615 0.640 ( 3.946 21.576 0.000) 21.934 0.918 ( 21.716 10.320 0.000) 24.044 1.049 ( 8.740 11.674 0.000) 14.583 1.293 ( 6.514 0.556 0.000) 6.538 1.387 ( -4.407 5.728 0.000) 7.227 1.440 ( 4.754 3.041 0.000) 5.644 1.528 ( -0.125 -2.686 0.000) 2.689 1.593 ( -3.080 4.488 0.000) 5.443 1.655 ( 0.189 4.296 0.000) 4.300 1.741 ( 3.782 4.826 0.000) 6.132 1.742 ( -2.974 5.334 0.000) 6.107 1.800 ( -3.266 3.478 0.000) 4.771 1.880 ( -5.633 2.027 0.000) 5.987 1.884 ( -0.704 3.535 0.000) 3.605 1.949 ( 2.176 -2.499 0.000) 3.314 2.026 ( 0.242 -0.690 0.000) 0.731 2.072 ( 5.331 0.768 0.000) 5.387 2.110 ( 6.409 -2.212 0.000) 6.780 2.123 ( -0.927 3.584 0.000) 3.702 2.215 ( -0.020 -3.797 0.000) 3.797 2.216 ( 6.139 -2.258 0.000) 6.541 2.348 ( 2.121 -5.488 0.000) 5.884 2.366 ( 0.473 -0.426 0.000) 0.636 2.381 ( 1.477 -1.201 0.000) 1.904 2.514 ( -3.684 1.508 0.000) 3.981 2.551 ( -2.713 -1.360 0.000) 3.034 2.637 ( -4.873 5.868 0.000) 7.627 2.684 ( 3.724 -1.988 0.000) 4.221 2.731 ( -1.267 0.574 0.000) 1.392 2.733 ( 0.975 1.307 0.000) 1.630 2.800 ( -1.374 3.284 0.000) 3.560 2.811 ( -5.318 -1.825 0.000) 5.622 2.954 ( -4.061 4.986 0.000) 6.430 2.974 ( -4.150 2.953 0.000) 5.093 3.028 ( 0.161 -0.871 0.000) 0.885 3.058 ( -1.295 -4.701 0.000) 4.876 3.138 ( -0.529 -1.904 0.000) 1.976 3.247 ( 1.209 -1.118 0.000) 1.647 3.272 ( -3.891 1.319 0.000) 4.109 3.331 ( 0.854 1.438 0.000) 1.672 3.334 ( -4.652 4.313 0.000) 6.344 3.445 ( -0.124 1.751 0.000) 1.756 3.462 ( 0.411 3.022 0.000) 3.049 3.572 ( 1.965 -0.038 0.000) 1.965 3.686 ( 3.909 -0.967 0.000) 4.027 4.261 ( 0.147 -12.074 0.000) 12.075 9.052 ( 1.001 -0.907 0.000) 1.351 9.147 ( 0.441 -0.026 0.000) 0.442 9.170 ( 2.136 -1.426 0.000) 2.568 9.185 ( 1.521 2.023 0.000) 2.531 9.247 ( -1.645 2.285 0.000) 2.815 9.317 ( 0.389 -2.402 0.000) 2.433 9.356 ( -0.368 3.290 0.000) 3.310 9.442 ( -1.275 1.999 0.000) 2.371 11.192 ( 0.869 0.287 0.000) 0.916 11.253 ( 1.137 -3.479 0.000) 3.660 11.267 ( -3.201 -0.347 0.000) 3.219 11.409 ( -2.289 3.267 0.000) 3.989 11.473 ( -4.516 3.091 0.000) 5.472 11.515 ( -1.686 2.804 0.000) 3.271 11.538 ( -1.187 1.962 0.000) 2.293 11.618 ( -7.393 -1.466 0.000) 7.537 11.798 ( 6.407 2.029 0.000) 6.720 11.918 ( 4.156 -1.690 0.000) 4.486 12.124 ( 5.544 -5.507 0.000) 7.814 12.134 ( -0.298 -2.779 0.000) 2.794 24.200 ( 0.114 0.040 0.000) 0.121 24.207 ( -0.072 -0.222 0.000) 0.234 24.225 ( 0.529 -0.542 0.000) 0.757 24.229 ( 0.099 -0.411 0.000) 0.423 24.626 ( 0.566 0.350 0.000) 0.666 24.739 ( -1.379 -1.220 0.000) 1.841 24.856 ( -0.032 -1.942 0.000) 1.943 24.894 ( -0.717 -2.164 0.000) 2.280 24.935 ( -0.066 3.435 0.000) 3.436 24.990 ( 3.576 4.596 0.000) 5.824 25.103 ( -8.759 12.127 0.000) 14.959 25.518 ( -2.652 1.261 0.000) 2.937 25.657 ( 4.463 -0.688 0.000) 4.516 25.809 ( -1.693 -1.551 0.000) 2.296 25.891 ( 3.584 -2.861 0.000) 4.586 26.254 ( 4.748 -8.779 0.000) 9.981 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 5.676 19.624 0.000) 20.429 0.762 ( 10.423 9.554 0.000) 14.139 0.825 ( 15.170 6.212 0.000) 16.392 1.130 ( 4.845 2.792 0.000) 5.592 1.268 ( -4.885 6.226 0.000) 7.914 1.424 ( 2.329 4.248 0.000) 4.844 1.445 ( 16.924 9.351 0.000) 19.336 1.454 ( -0.682 -3.202 0.000) 3.273 1.565 ( 2.439 2.827 0.000) 3.734 1.603 ( 4.896 4.530 0.000) 6.670 1.657 ( -4.349 6.493 0.000) 7.815 1.693 ( 2.018 2.901 0.000) 3.534 1.719 ( -3.206 3.744 0.000) 4.929 1.762 ( -3.546 2.740 0.000) 4.482 1.842 ( 5.422 2.352 0.000) 5.910 1.905 ( 2.876 1.117 0.000) 3.086 1.984 ( 1.249 -1.200 0.000) 1.732 2.043 ( 1.242 0.606 0.000) 1.382 2.091 ( -1.843 2.586 0.000) 3.175 2.164 ( -2.091 -0.666 0.000) 2.195 2.171 ( 2.318 0.252 0.000) 2.331 2.270 ( 5.325 -5.087 0.000) 7.365 2.330 ( 2.240 -0.084 0.000) 2.241 2.375 ( 1.894 -3.416 0.000) 3.905 2.384 ( -1.044 -3.772 0.000) 3.914 2.460 ( -0.922 1.321 0.000) 1.611 2.502 ( 9.252 -2.770 0.000) 9.657 2.536 ( 0.426 -0.304 0.000) 0.523 2.568 ( -8.549 3.070 0.000) 9.084 2.596 ( 0.402 4.364 0.000) 4.382 2.681 ( -5.638 -0.194 0.000) 5.641 2.744 ( 0.098 -0.510 0.000) 0.519 2.745 ( 0.251 -1.483 0.000) 1.504 2.798 ( -2.739 2.604 0.000) 3.779 2.871 ( -5.099 -0.781 0.000) 5.158 2.906 ( 2.666 1.392 0.000) 3.007 3.023 ( -2.681 -2.413 0.000) 3.607 3.032 ( -0.678 -0.897 0.000) 1.124 3.118 ( -0.396 0.824 0.000) 0.914 3.206 ( -1.277 2.508 0.000) 2.815 3.210 ( -3.253 4.327 0.000) 5.414 3.289 ( -1.820 1.446 0.000) 2.325 3.361 ( 1.607 1.326 0.000) 2.084 3.419 ( -1.348 2.703 0.000) 3.020 3.511 ( 2.542 -0.524 0.000) 2.596 3.580 ( -0.652 -0.346 0.000) 0.739 3.804 ( 6.998 -2.834 0.000) 7.550 4.161 ( -8.156 -8.580 0.000) 11.838 9.080 ( 1.641 -0.529 0.000) 1.725 9.147 ( -0.796 -0.871 0.000) 1.180 9.215 ( 2.195 2.773 0.000) 3.537 9.229 ( 0.307 3.903 0.000) 3.915 9.240 ( 3.146 -2.550 0.000) 4.050 9.308 ( -1.243 -0.032 0.000) 1.244 9.331 ( -1.472 3.855 0.000) 4.126 9.403 ( -2.466 -0.866 0.000) 2.614 11.218 ( 1.473 -0.146 0.000) 1.480 11.244 ( 0.128 -2.673 0.000) 2.676 11.284 ( 1.956 -2.011 0.000) 2.805 11.378 ( -1.010 1.790 0.000) 2.055 11.398 ( -2.214 2.242 0.000) 3.151 11.466 ( -6.686 -0.939 0.000) 6.752 11.487 ( -1.065 1.544 0.000) 1.876 11.509 ( -1.666 1.764 0.000) 2.426 11.922 ( 5.144 1.546 0.000) 5.371 11.983 ( 2.041 -1.262 0.000) 2.400 12.128 ( -0.084 -2.278 0.000) 2.280 12.165 ( -0.457 -2.154 0.000) 2.202 24.203 ( 0.173 -0.021 0.000) 0.175 24.206 ( -0.018 -0.256 0.000) 0.257 24.232 ( 0.098 -0.507 0.000) 0.516 24.232 ( 0.169 -0.626 0.000) 0.648 24.643 ( 1.137 0.212 0.000) 1.156 24.706 ( -1.697 -0.475 0.000) 1.763 24.856 ( 0.080 -2.637 0.000) 2.638 24.877 ( -0.843 -2.855 0.000) 2.977 24.940 ( 0.497 3.860 0.000) 3.892 24.997 ( -2.813 8.437 0.000) 8.893 25.096 ( 6.556 5.479 0.000) 8.544 25.417 ( -6.951 5.548 0.000) 8.893 25.739 ( 2.811 -2.212 0.000) 3.577 25.785 ( -0.549 -4.075 0.000) 4.112 26.010 ( 7.376 -2.708 0.000) 7.857 26.264 ( -2.750 -5.712 0.000) 6.340 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -2.220 15.125 0.000) 15.287 0.842 ( 2.220 15.125 0.000) 15.287 1.087 ( -9.078 5.177 0.000) 10.451 1.087 ( 9.078 5.177 0.000) 10.451 1.304 ( -7.207 3.290 0.000) 7.923 1.304 ( 7.207 3.290 0.000) 7.923 1.544 ( -2.758 0.910 0.000) 2.904 1.544 ( 2.758 0.910 0.000) 2.904 1.591 ( -1.355 4.132 0.000) 4.348 1.591 ( 1.355 4.132 0.000) 4.348 1.648 ( -1.692 3.775 0.000) 4.136 1.648 ( 1.692 3.775 0.000) 4.136 1.782 ( -0.536 2.406 0.000) 2.465 1.782 ( 0.536 2.406 0.000) 2.465 1.944 ( -3.325 -1.134 0.000) 3.513 1.944 ( 3.325 -1.134 0.000) 3.513 2.041 ( -2.883 1.117 0.000) 3.092 2.041 ( 2.883 1.117 0.000) 3.092 2.116 ( -5.105 3.343 0.000) 6.102 2.116 ( 5.105 3.343 0.000) 6.102 2.210 ( -6.784 4.050 0.000) 7.901 2.210 ( 6.784 4.050 0.000) 7.901 2.331 ( -1.133 -4.955 0.000) 5.082 2.331 ( 1.133 -4.955 0.000) 5.082 2.427 ( -2.279 -0.158 0.000) 2.284 2.427 ( 2.279 -0.158 0.000) 2.284 2.540 ( -3.074 0.770 0.000) 3.169 2.540 ( 3.074 0.770 0.000) 3.169 2.581 ( -2.088 0.593 0.000) 2.171 2.581 ( 2.088 0.593 0.000) 2.171 2.701 ( -1.908 -0.856 0.000) 2.091 2.701 ( 1.908 -0.856 0.000) 2.091 2.798 ( -1.550 0.256 0.000) 1.571 2.798 ( 1.550 0.256 0.000) 1.571 2.828 ( -9.393 -3.603 0.000) 10.060 2.828 ( 9.393 -3.603 0.000) 10.060 3.015 ( -1.575 -0.680 0.000) 1.716 3.015 ( 1.575 -0.680 0.000) 1.716 3.145 ( -2.674 4.056 0.000) 4.858 3.145 ( 2.674 4.056 0.000) 4.858 3.231 ( -3.016 2.535 0.000) 3.940 3.231 ( 3.016 2.535 0.000) 3.940 3.391 ( -1.319 1.800 0.000) 2.231 3.391 ( 1.319 1.800 0.000) 2.231 3.556 ( -1.680 -0.590 0.000) 1.781 3.556 ( 1.680 -0.590 0.000) 1.781 3.973 ( -9.096 -5.659 0.000) 10.713 3.973 ( 9.096 -5.659 0.000) 10.713 9.117 ( -1.806 -0.399 0.000) 1.850 9.117 ( 1.806 -0.399 0.000) 1.850 9.249 ( -0.313 2.379 0.000) 2.399 9.249 ( 0.313 2.379 0.000) 2.399 9.274 ( -1.221 2.692 0.000) 2.956 9.274 ( 1.221 2.692 0.000) 2.956 9.343 ( -2.853 -1.799 0.000) 3.373 9.343 ( 2.853 -1.799 0.000) 3.373 11.243 ( -0.647 -1.515 0.000) 1.647 11.243 ( 0.647 -1.515 0.000) 1.647 11.344 ( -3.785 -0.576 0.000) 3.828 11.344 ( 3.785 -0.576 0.000) 3.828 11.376 ( -0.132 0.726 0.000) 0.738 11.376 ( 0.132 0.726 0.000) 0.738 11.482 ( -0.691 1.550 0.000) 1.698 11.482 ( 0.691 1.550 0.000) 1.698 11.994 ( -1.375 0.065 0.000) 1.376 11.994 ( 1.375 0.065 0.000) 1.376 12.139 ( -1.274 -1.475 0.000) 1.949 12.139 ( 1.274 -1.475 0.000) 1.949 24.206 ( -0.077 -0.137 0.000) 0.157 24.206 ( 0.077 -0.137 0.000) 0.157 24.233 ( -0.038 -0.588 0.000) 0.589 24.233 ( 0.038 -0.588 0.000) 0.589 24.672 ( -1.549 -0.033 0.000) 1.549 24.672 ( 1.549 -0.033 0.000) 1.549 24.862 ( -0.528 -3.087 0.000) 3.132 24.862 ( 0.528 -3.087 0.000) 3.132 24.957 ( -1.252 5.468 0.000) 5.609 24.957 ( 1.252 5.468 0.000) 5.609 25.253 ( -8.182 6.316 0.000) 10.336 25.253 ( 8.182 6.316 0.000) 10.336 25.774 ( -0.834 -3.589 0.000) 3.685 25.774 ( 0.834 -3.589 0.000) 3.685 26.163 ( -6.596 -3.652 0.000) 7.539 26.163 ( 6.596 -3.652 0.000) 7.539 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 8.496 0.000) 8.496 0.695 ( 0.000 15.301 0.000) 15.301 0.744 ( 0.000 3.490 0.000) 3.490 1.031 ( 0.000 19.861 0.000) 19.861 1.246 ( 0.000 4.756 0.000) 4.756 1.347 ( 0.000 20.349 0.000) 20.349 1.407 ( 0.000 -7.803 0.000) 7.803 1.474 ( 0.000 0.389 0.000) 0.389 1.494 ( 0.000 5.964 0.000) 5.964 1.686 ( 0.000 6.357 0.000) 6.357 1.775 ( 0.000 3.639 0.000) 3.639 1.801 ( 0.000 -4.714 0.000) 4.714 1.815 ( 0.000 7.407 0.000) 7.407 1.874 ( 0.000 -1.115 0.000) 1.115 1.882 ( 0.000 -2.237 0.000) 2.237 1.976 ( 0.000 -2.662 0.000) 2.662 1.981 ( 0.000 -3.205 0.000) 3.205 2.001 ( 0.000 8.667 0.000) 8.667 2.048 ( 0.000 -3.715 0.000) 3.715 2.066 ( 0.000 8.908 0.000) 8.908 2.080 ( 0.000 -6.172 0.000) 6.172 2.149 ( 0.000 6.291 0.000) 6.291 2.196 ( 0.000 -6.959 0.000) 6.959 2.205 ( 0.000 3.204 0.000) 3.204 2.365 ( 0.000 2.544 0.000) 2.544 2.463 ( 0.000 5.685 0.000) 5.685 2.482 ( 0.000 -7.901 0.000) 7.901 2.524 ( 0.000 -4.697 0.000) 4.697 2.678 ( 0.000 2.849 0.000) 2.849 2.741 ( 0.000 0.979 0.000) 0.979 2.765 ( 0.000 3.486 0.000) 3.486 2.852 ( 0.000 1.346 0.000) 1.346 2.885 ( 0.000 4.811 0.000) 4.811 2.910 ( 0.000 -6.861 0.000) 6.861 2.932 ( 0.000 -1.198 0.000) 1.198 2.952 ( 0.000 2.706 0.000) 2.706 3.050 ( 0.000 -4.588 0.000) 4.588 3.061 ( 0.000 -0.151 0.000) 0.151 3.100 ( 0.000 1.448 0.000) 1.448 3.203 ( 0.000 0.898 0.000) 0.898 3.374 ( 0.000 2.802 0.000) 2.802 3.375 ( 0.000 3.672 0.000) 3.672 3.384 ( 0.000 -2.457 0.000) 2.457 3.389 ( 0.000 -0.121 0.000) 0.121 3.560 ( 0.000 1.932 0.000) 1.932 3.591 ( 0.000 1.290 0.000) 1.290 3.638 ( 0.000 -0.002 0.000) 0.002 3.999 ( 0.000 -10.544 0.000) 10.544 9.024 ( 0.000 -0.595 0.000) 0.595 9.092 ( 0.000 -2.487 0.000) 2.487 9.139 ( 0.000 -0.560 0.000) 0.560 9.233 ( 0.000 -3.264 0.000) 3.264 9.253 ( 0.000 4.349 0.000) 4.349 9.339 ( 0.000 4.416 0.000) 4.416 9.391 ( 0.000 1.824 0.000) 1.824 9.512 ( 0.000 2.172 0.000) 2.172 11.183 ( 0.000 -1.599 0.000) 1.599 11.190 ( 0.000 0.293 0.000) 0.293 11.346 ( 0.000 1.064 0.000) 1.064 11.521 ( 0.000 2.208 0.000) 2.208 11.557 ( 0.000 2.791 0.000) 2.791 11.591 ( 0.000 -0.472 0.000) 0.472 11.681 ( 0.000 4.039 0.000) 4.039 11.703 ( 0.000 0.417 0.000) 0.417 11.736 ( 0.000 2.319 0.000) 2.319 11.798 ( 0.000 -2.824 0.000) 2.824 11.938 ( 0.000 -1.594 0.000) 1.594 12.056 ( 0.000 -4.840 0.000) 4.840 24.200 ( 0.000 0.095 0.000) 0.095 24.211 ( 0.000 0.111 0.000) 0.111 24.216 ( 0.000 0.219 0.000) 0.219 24.219 ( 0.000 -0.476 0.000) 0.476 24.632 ( 0.000 0.867 0.000) 0.867 24.727 ( 0.000 -0.914 0.000) 0.914 24.816 ( 0.000 -2.221 0.000) 2.221 24.849 ( 0.000 -3.376 0.000) 3.376 25.032 ( 0.000 4.270 0.000) 4.270 25.042 ( 0.000 5.201 0.000) 5.201 25.340 ( 0.000 0.869 0.000) 0.869 25.496 ( 0.000 -2.667 0.000) 2.667 25.600 ( 0.000 0.006 0.000) 0.006 25.775 ( 0.000 -4.669 0.000) 4.669 25.859 ( 0.000 2.465 0.000) 2.465 26.088 ( 0.000 -0.902 0.000) 0.902 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 13.620 7.767 0.000) 15.679 0.707 ( 8.743 10.804 0.000) 13.898 1.028 ( 15.058 6.127 0.000) 16.257 1.077 ( 3.952 20.242 0.000) 20.624 1.320 ( 5.508 3.396 0.000) 6.471 1.421 ( 5.098 12.081 0.000) 13.113 1.438 ( 2.525 -5.689 0.000) 6.225 1.461 ( 1.498 5.910 0.000) 6.097 1.543 ( 4.394 5.835 0.000) 7.305 1.647 ( -2.994 5.341 0.000) 6.123 1.751 ( -0.445 4.532 0.000) 4.553 1.822 ( 1.454 -4.664 0.000) 4.886 1.846 ( 1.332 4.945 0.000) 5.122 1.851 ( -1.418 0.654 0.000) 1.562 1.899 ( -0.053 3.680 0.000) 3.680 1.935 ( -4.220 0.224 0.000) 4.226 2.030 ( 1.284 2.914 0.000) 3.184 2.032 ( 1.865 6.905 0.000) 7.152 2.054 ( 6.000 -2.732 0.000) 6.593 2.110 ( -1.071 -6.500 0.000) 6.587 2.119 ( 3.281 -0.045 0.000) 3.281 2.141 ( 3.801 -0.163 0.000) 3.804 2.199 ( -0.301 3.889 0.000) 3.901 2.235 ( 4.308 -2.505 0.000) 4.983 2.374 ( 0.625 1.173 0.000) 1.329 2.420 ( -3.618 5.187 0.000) 6.324 2.455 ( -0.829 -6.773 0.000) 6.824 2.562 ( -1.126 -1.992 0.000) 2.288 2.656 ( 1.828 0.813 0.000) 2.001 2.726 ( -2.626 0.276 0.000) 2.640 2.743 ( -3.182 0.908 0.000) 3.309 2.754 ( -4.270 3.638 0.000) 5.610 2.832 ( -1.741 2.894 0.000) 3.377 2.882 ( -0.701 4.160 0.000) 4.219 2.922 ( -3.868 -5.276 0.000) 6.543 2.967 ( -2.708 -4.598 0.000) 5.336 3.040 ( -1.144 0.736 0.000) 1.360 3.053 ( -1.943 3.737 0.000) 4.213 3.086 ( 0.964 -2.653 0.000) 2.822 3.218 ( 0.929 -0.650 0.000) 1.133 3.324 ( -3.074 3.483 0.000) 4.646 3.351 ( -1.335 -0.434 0.000) 1.404 3.376 ( 0.080 2.809 0.000) 2.811 3.432 ( 2.159 -0.897 0.000) 2.338 3.567 ( -1.498 3.514 0.000) 3.820 3.583 ( 1.100 1.259 0.000) 1.672 3.668 ( 2.709 -0.625 0.000) 2.780 4.017 ( -0.228 -12.248 0.000) 12.250 9.037 ( 1.211 -0.514 0.000) 1.316 9.115 ( 2.175 -2.737 0.000) 3.496 9.139 ( -0.049 -0.593 0.000) 0.595 9.250 ( 1.390 -3.103 0.000) 3.400 9.261 ( 0.831 4.309 0.000) 4.388 9.329 ( -0.818 4.536 0.000) 4.609 9.411 ( 0.993 1.967 0.000) 2.204 9.485 ( -2.509 1.972 0.000) 3.191 11.194 ( 0.915 -0.432 0.000) 1.012 11.209 ( 1.823 -0.545 0.000) 1.903 11.286 ( -4.509 1.873 0.000) 4.882 11.461 ( -3.179 2.401 0.000) 3.984 11.519 ( -3.692 2.323 0.000) 4.362 11.556 ( -4.083 -2.119 0.000) 4.600 11.588 ( -4.138 3.298 0.000) 5.291 11.606 ( -4.487 1.707 0.000) 4.800 11.845 ( 5.999 2.299 0.000) 6.425 11.875 ( 4.357 -2.114 0.000) 4.843 12.041 ( 5.924 -3.241 0.000) 6.753 12.059 ( 0.358 -4.268 0.000) 4.283 24.201 ( 0.072 0.075 0.000) 0.104 24.206 ( -0.254 0.153 0.000) 0.296 24.220 ( 0.036 -0.502 0.000) 0.503 24.221 ( 0.242 -0.014 0.000) 0.243 24.638 ( 0.532 0.847 0.000) 1.000 24.720 ( -0.631 -0.532 0.000) 0.825 24.815 ( -0.241 -2.149 0.000) 2.163 24.835 ( -1.155 -3.442 0.000) 3.630 25.018 ( -0.168 4.388 0.000) 4.391 25.091 ( 3.952 4.913 0.000) 6.305 25.272 ( -5.168 5.184 0.000) 7.320 25.529 ( 2.709 -0.877 0.000) 2.847 25.641 ( 3.045 -0.739 0.000) 3.134 25.797 ( -5.595 1.263 0.000) 5.736 25.816 ( 4.091 -4.282 0.000) 5.922 26.124 ( 2.155 -4.543 0.000) 5.028 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 12.869 9.498 0.000) 15.994 0.972 ( 14.625 7.568 0.000) 16.467 1.157 ( 2.730 18.815 0.000) 19.012 1.241 ( 5.671 8.198 0.000) 9.969 1.382 ( -3.608 5.066 0.000) 6.219 1.394 ( 0.583 -1.463 0.000) 1.575 1.510 ( 4.374 3.119 0.000) 5.372 1.587 ( -2.479 1.207 0.000) 2.757 1.642 ( 3.961 5.212 0.000) 6.547 1.693 ( 11.635 4.874 0.000) 12.615 1.774 ( -0.717 4.118 0.000) 4.180 1.779 ( -3.449 1.384 0.000) 3.716 1.794 ( -1.143 1.482 0.000) 1.872 1.861 ( -3.493 9.667 0.000) 10.278 1.884 ( 3.194 1.836 0.000) 3.684 1.932 ( 2.410 4.766 0.000) 5.341 2.030 ( -1.142 -2.813 0.000) 3.036 2.067 ( 2.856 4.773 0.000) 5.562 2.113 ( 2.059 -2.944 0.000) 3.593 2.134 ( -2.037 0.405 0.000) 2.077 2.180 ( 2.484 3.068 0.000) 3.947 2.190 ( 5.348 -2.351 0.000) 5.842 2.314 ( 1.429 -1.868 0.000) 2.352 2.336 ( 4.277 -0.200 0.000) 4.281 2.351 ( 2.380 1.024 0.000) 2.591 2.437 ( -1.436 -5.812 0.000) 5.987 2.437 ( 6.290 -2.126 0.000) 6.639 2.528 ( 0.976 1.099 0.000) 1.469 2.641 ( -5.237 3.063 0.000) 6.067 2.641 ( -4.335 -0.003 0.000) 4.335 2.717 ( -0.263 5.702 0.000) 5.708 2.725 ( -0.478 -0.671 0.000) 0.824 2.790 ( -5.015 0.405 0.000) 5.031 2.823 ( -1.644 -0.438 0.000) 1.701 2.838 ( -3.360 1.102 0.000) 3.536 2.923 ( 0.710 -3.622 0.000) 3.691 2.963 ( -6.085 1.639 0.000) 6.301 3.011 ( -1.576 -1.973 0.000) 2.526 3.124 ( 2.321 -0.213 0.000) 2.331 3.220 ( -0.937 -0.770 0.000) 1.213 3.283 ( -0.468 3.884 0.000) 3.912 3.328 ( -1.137 1.266 0.000) 1.702 3.394 ( 1.494 1.674 0.000) 2.244 3.459 ( -0.057 -0.286 0.000) 0.291 3.549 ( 0.005 4.073 0.000) 4.073 3.586 ( -0.687 1.094 0.000) 1.292 3.738 ( 3.807 -3.307 0.000) 5.043 3.954 ( -5.368 -11.092 0.000) 12.322 9.071 ( 1.880 -0.355 0.000) 1.913 9.134 ( -0.599 -0.452 0.000) 0.750 9.177 ( 3.489 -3.246 0.000) 4.765 9.270 ( -0.132 -3.069 0.000) 3.072 9.288 ( 1.685 4.104 0.000) 4.437 9.324 ( 0.987 4.770 0.000) 4.871 9.407 ( -1.347 3.153 0.000) 3.429 9.415 ( -3.906 1.886 0.000) 4.338 11.216 ( 0.962 0.086 0.000) 0.966 11.224 ( -1.046 0.722 0.000) 1.271 11.261 ( 3.011 -0.509 0.000) 3.054 11.411 ( -1.937 1.703 0.000) 2.579 11.435 ( -3.480 1.752 0.000) 3.896 11.437 ( -5.629 -1.856 0.000) 5.927 11.527 ( -1.910 1.871 0.000) 2.674 11.548 ( -2.188 1.642 0.000) 2.736 11.950 ( 2.742 -1.613 0.000) 3.181 11.951 ( 3.718 1.063 0.000) 3.867 12.073 ( 1.089 -2.878 0.000) 3.077 12.117 ( 1.292 -2.562 0.000) 2.869 24.203 ( 0.083 0.014 0.000) 0.084 24.203 ( -0.055 0.011 0.000) 0.057 24.220 ( 0.059 -0.523 0.000) 0.527 24.224 ( 0.030 -0.235 0.000) 0.237 24.654 ( 0.996 0.773 0.000) 1.261 24.702 ( -1.069 0.157 0.000) 1.080 24.805 ( -0.534 -2.293 0.000) 2.354 24.811 ( -0.978 -3.331 0.000) 3.472 25.032 ( 1.574 4.915 0.000) 5.160 25.166 ( -4.667 7.444 0.000) 8.786 25.211 ( 7.544 5.068 0.000) 9.088 25.556 ( -3.298 7.583 0.000) 8.269 25.677 ( -2.747 -6.008 0.000) 6.607 25.689 ( 1.178 -2.157 0.000) 2.457 25.938 ( 6.871 -4.239 0.000) 8.074 26.137 ( -1.304 -6.316 0.000) 6.449 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -4.242 13.398 0.000) 14.054 1.152 ( 4.242 13.398 0.000) 14.054 1.225 ( -8.463 7.861 0.000) 11.551 1.225 ( 8.463 7.861 0.000) 11.551 1.362 ( -2.718 3.413 0.000) 4.363 1.362 ( 2.718 3.413 0.000) 4.363 1.558 ( -0.297 1.079 0.000) 1.119 1.558 ( 0.297 1.079 0.000) 1.119 1.703 ( -2.866 3.483 0.000) 4.511 1.703 ( 2.866 3.483 0.000) 4.511 1.765 ( -3.317 7.688 0.000) 8.373 1.765 ( 3.317 7.688 0.000) 8.373 1.826 ( -0.423 1.615 0.000) 1.669 1.826 ( 0.423 1.615 0.000) 1.669 1.941 ( -1.378 2.482 0.000) 2.839 1.941 ( 1.378 2.482 0.000) 2.839 2.058 ( -3.440 -0.063 0.000) 3.440 2.058 ( 3.440 -0.063 0.000) 3.440 2.138 ( -0.738 -1.789 0.000) 1.935 2.138 ( 0.738 -1.789 0.000) 1.935 2.250 ( -0.060 -0.993 0.000) 0.995 2.250 ( 0.060 -0.993 0.000) 0.995 2.337 ( -4.510 4.979 0.000) 6.717 2.337 ( 4.510 4.979 0.000) 6.717 2.404 ( -2.322 -2.158 0.000) 3.170 2.404 ( 2.322 -2.158 0.000) 3.170 2.534 ( -1.847 -1.033 0.000) 2.116 2.534 ( 1.847 -1.033 0.000) 2.116 2.602 ( -2.789 2.470 0.000) 3.726 2.602 ( 2.789 2.470 0.000) 3.726 2.678 ( -0.488 -2.164 0.000) 2.218 2.678 ( 0.488 -2.164 0.000) 2.218 2.780 ( -5.481 0.651 0.000) 5.519 2.780 ( 5.481 0.651 0.000) 5.519 2.837 ( -2.466 3.303 0.000) 4.122 2.837 ( 2.466 3.303 0.000) 4.122 2.970 ( -2.467 -4.053 0.000) 4.745 2.970 ( 2.467 -4.053 0.000) 4.745 3.182 ( -2.696 0.449 0.000) 2.733 3.182 ( 2.696 0.449 0.000) 2.733 3.298 ( -1.516 2.757 0.000) 3.147 3.298 ( 1.516 2.757 0.000) 3.147 3.432 ( -1.999 1.407 0.000) 2.444 3.432 ( 1.999 1.407 0.000) 2.444 3.564 ( -1.144 1.838 0.000) 2.165 3.564 ( 1.144 1.838 0.000) 2.165 3.832 ( -5.486 -7.515 0.000) 9.304 3.832 ( 5.486 -7.515 0.000) 9.304 9.109 ( -1.681 -0.273 0.000) 1.703 9.109 ( 1.681 -0.273 0.000) 1.703 9.243 ( -2.376 -3.060 0.000) 3.874 9.243 ( 2.376 -3.060 0.000) 3.874 9.335 ( -2.971 3.304 0.000) 4.443 9.335 ( 2.971 3.304 0.000) 4.443 9.366 ( -2.147 3.707 0.000) 4.284 9.366 ( 2.147 3.707 0.000) 4.284 11.223 ( -0.260 -0.037 0.000) 0.263 11.223 ( 0.260 -0.037 0.000) 0.263 11.333 ( -4.048 -0.594 0.000) 4.091 11.333 ( 4.048 -0.594 0.000) 4.091 11.394 ( -0.307 1.177 0.000) 1.217 11.394 ( 0.307 1.177 0.000) 1.217 11.514 ( -0.751 1.244 0.000) 1.453 11.514 ( 0.751 1.244 0.000) 1.453 11.984 ( -0.395 -0.819 0.000) 0.909 11.984 ( 0.395 -0.819 0.000) 0.909 12.107 ( -1.739 -1.668 0.000) 2.410 12.107 ( 1.739 -1.668 0.000) 2.410 24.203 ( -0.026 -0.053 0.000) 0.059 24.203 ( 0.026 -0.053 0.000) 0.059 24.222 ( -0.120 -0.422 0.000) 0.439 24.222 ( 0.120 -0.422 0.000) 0.439 24.677 ( -1.242 0.595 0.000) 1.377 24.677 ( 1.242 0.595 0.000) 1.377 24.800 ( -0.113 -2.850 0.000) 2.852 24.800 ( 0.113 -2.850 0.000) 2.852 25.083 ( -3.269 6.370 0.000) 7.160 25.083 ( 3.269 6.370 0.000) 7.160 25.393 ( -9.446 6.311 0.000) 11.360 25.393 ( 9.446 6.311 0.000) 11.360 25.688 ( -1.099 -3.921 0.000) 4.072 25.688 ( 1.099 -3.921 0.000) 4.072 26.068 ( -5.134 -5.400 0.000) 7.451 26.068 ( 5.134 -5.400 0.000) 7.451 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.000 10.132 0.000) 10.132 0.854 ( 0.000 7.492 0.000) 7.492 0.946 ( 0.000 8.474 0.000) 8.474 1.200 ( 0.000 -12.562 0.000) 12.562 1.371 ( 0.000 13.006 0.000) 13.006 1.400 ( 0.000 9.190 0.000) 9.190 1.491 ( 0.000 1.719 0.000) 1.719 1.590 ( 0.000 5.400 0.000) 5.400 1.612 ( 0.000 5.589 0.000) 5.589 1.686 ( 0.000 -5.370 0.000) 5.370 1.769 ( 0.000 -6.658 0.000) 6.658 1.795 ( 0.000 -1.122 0.000) 1.122 1.819 ( 0.000 0.403 0.000) 0.403 1.883 ( 0.000 -2.684 0.000) 2.684 1.920 ( 0.000 -8.007 0.000) 8.007 1.938 ( 0.000 -5.551 0.000) 5.551 1.954 ( 0.000 1.478 0.000) 1.478 1.967 ( 0.000 1.889 0.000) 1.889 2.028 ( 0.000 18.548 0.000) 18.548 2.136 ( 0.000 0.317 0.000) 0.317 2.154 ( 0.000 4.304 0.000) 4.304 2.214 ( 0.000 1.013 0.000) 1.013 2.266 ( 0.000 7.861 0.000) 7.861 2.306 ( 0.000 -7.035 0.000) 7.035 2.319 ( 0.000 6.820 0.000) 6.820 2.421 ( 0.000 1.851 0.000) 1.851 2.432 ( 0.000 -2.181 0.000) 2.181 2.550 ( 0.000 -0.377 0.000) 0.377 2.682 ( 0.000 -2.996 0.000) 2.996 2.747 ( 0.000 -0.352 0.000) 0.352 2.767 ( 0.000 -4.613 0.000) 4.613 2.784 ( 0.000 -4.619 0.000) 4.619 2.907 ( 0.000 -0.327 0.000) 0.327 2.919 ( 0.000 1.763 0.000) 1.763 2.924 ( 0.000 -0.513 0.000) 0.513 2.925 ( 0.000 -2.200 0.000) 2.200 3.053 ( 0.000 3.226 0.000) 3.226 3.080 ( 0.000 6.692 0.000) 6.692 3.123 ( 0.000 0.438 0.000) 0.438 3.264 ( 0.000 3.759 0.000) 3.759 3.356 ( 0.000 0.029 0.000) 0.029 3.403 ( 0.000 2.031 0.000) 2.031 3.433 ( 0.000 2.657 0.000) 2.657 3.444 ( 0.000 2.549 0.000) 2.549 3.586 ( 0.000 -1.964 0.000) 1.964 3.604 ( 0.000 2.194 0.000) 2.194 3.645 ( 0.000 0.302 0.000) 0.302 3.746 ( 0.000 -14.065 0.000) 14.065 9.018 ( 0.000 -0.014 0.000) 0.014 9.049 ( 0.000 -1.690 0.000) 1.690 9.130 ( 0.000 -0.133 0.000) 0.133 9.175 ( 0.000 -2.381 0.000) 2.381 9.337 ( 0.000 3.708 0.000) 3.708 9.413 ( 0.000 0.184 0.000) 0.184 9.434 ( 0.000 4.536 0.000) 4.536 9.535 ( 0.000 0.019 0.000) 0.019 11.171 ( 0.000 0.227 0.000) 0.227 11.192 ( 0.000 -0.211 0.000) 0.211 11.381 ( 0.000 2.524 0.000) 2.524 11.531 ( 0.000 -3.939 0.000) 3.939 11.582 ( 0.000 3.244 0.000) 3.244 11.626 ( 0.000 3.775 0.000) 3.775 11.726 ( 0.000 0.349 0.000) 0.349 11.732 ( 0.000 -3.604 0.000) 3.604 11.754 ( 0.000 3.633 0.000) 3.633 11.790 ( 0.000 3.025 0.000) 3.025 11.894 ( 0.000 -2.742 0.000) 2.742 11.952 ( 0.000 -5.078 0.000) 5.078 24.202 ( 0.000 0.118 0.000) 0.118 24.210 ( 0.000 -0.348 0.000) 0.348 24.216 ( 0.000 0.277 0.000) 0.277 24.220 ( 0.000 0.166 0.000) 0.166 24.657 ( 0.000 1.691 0.000) 1.691 24.720 ( 0.000 0.236 0.000) 0.236 24.771 ( 0.000 -2.069 0.000) 2.069 24.774 ( 0.000 -3.852 0.000) 3.852 25.112 ( 0.000 3.354 0.000) 3.354 25.131 ( 0.000 3.134 0.000) 3.134 25.357 ( 0.000 1.081 0.000) 1.081 25.439 ( 0.000 -2.795 0.000) 2.795 25.603 ( 0.000 0.400 0.000) 0.400 25.683 ( 0.000 -4.033 0.000) 4.033 25.927 ( 0.000 3.883 0.000) 3.883 26.059 ( 0.000 -2.065 0.000) 2.065 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 12.458 8.609 0.000) 15.143 0.921 ( 8.667 10.755 0.000) 13.812 1.161 ( 15.073 4.594 0.000) 15.757 1.265 ( 5.364 -10.349 0.000) 11.657 1.416 ( 3.024 12.247 0.000) 12.615 1.466 ( 5.101 9.203 0.000) 10.522 1.482 ( -0.697 2.250 0.000) 2.355 1.600 ( 0.630 2.791 0.000) 2.861 1.664 ( 4.967 5.515 0.000) 7.422 1.670 ( -1.501 -2.815 0.000) 3.190 1.782 ( 0.029 -2.732 0.000) 2.733 1.816 ( 1.414 1.091 0.000) 1.786 1.854 ( 5.594 -2.389 0.000) 6.082 1.882 ( -2.804 -2.738 0.000) 3.919 1.924 ( 0.354 -1.426 0.000) 1.469 1.937 ( 1.900 -2.348 0.000) 3.020 1.949 ( -0.481 -1.481 0.000) 1.557 2.003 ( 4.306 -0.514 0.000) 4.337 2.114 ( 6.791 8.260 0.000) 10.694 2.137 ( 0.401 3.278 0.000) 3.303 2.151 ( -0.447 5.068 0.000) 5.087 2.184 ( -2.660 0.826 0.000) 2.785 2.293 ( -0.110 -3.525 0.000) 3.527 2.311 ( 3.378 3.060 0.000) 4.558 2.322 ( 0.389 6.902 0.000) 6.912 2.420 ( -0.045 2.488 0.000) 2.489 2.449 ( 0.779 -5.816 0.000) 5.868 2.509 ( -4.262 1.255 0.000) 4.443 2.656 ( -1.166 -1.853 0.000) 2.190 2.730 ( -3.010 -0.515 0.000) 3.054 2.743 ( -2.387 -3.901 0.000) 4.574 2.754 ( -0.625 -2.626 0.000) 2.700 2.873 ( -3.789 -0.301 0.000) 3.801 2.880 ( -1.252 -0.166 0.000) 1.263 2.898 ( -1.491 1.430 0.000) 2.067 2.954 ( 0.810 0.851 0.000) 1.175 3.051 ( -0.136 0.210 0.000) 0.251 3.059 ( -2.564 4.595 0.000) 5.262 3.100 ( -2.130 0.805 0.000) 2.277 3.236 ( -1.937 1.260 0.000) 2.310 3.360 ( 0.569 2.168 0.000) 2.242 3.394 ( -2.865 3.001 0.000) 4.149 3.427 ( -1.137 1.764 0.000) 2.098 3.432 ( 1.722 1.309 0.000) 2.163 3.586 ( 0.087 -1.520 0.000) 1.522 3.618 ( 0.746 1.977 0.000) 2.113 3.662 ( 1.300 -0.168 0.000) 1.311 3.759 ( 0.313 -13.030 0.000) 13.034 9.032 ( 1.318 0.038 0.000) 1.318 9.068 ( 1.751 -1.877 0.000) 2.567 9.132 ( 0.188 0.099 0.000) 0.212 9.188 ( 1.057 -2.678 0.000) 2.879 9.346 ( 0.872 3.865 0.000) 3.962 9.424 ( -0.832 4.343 0.000) 4.422 9.431 ( 1.293 0.003 0.000) 1.293 9.510 ( -2.258 0.339 0.000) 2.283 11.190 ( 1.618 0.262 0.000) 1.639 11.207 ( 1.493 -0.138 0.000) 1.499 11.336 ( -3.839 3.046 0.000) 4.901 11.484 ( -4.039 -3.317 0.000) 5.226 11.522 ( -3.986 2.624 0.000) 4.772 11.574 ( -4.450 2.972 0.000) 5.352 11.629 ( -4.330 -0.509 0.000) 4.359 11.634 ( -4.968 1.086 0.000) 5.085 11.857 ( 4.882 0.895 0.000) 4.963 11.883 ( 5.112 1.484 0.000) 5.323 11.974 ( 1.824 -3.822 0.000) 4.235 11.976 ( 5.279 -3.378 0.000) 6.267 24.203 ( 0.041 0.107 0.000) 0.115 24.211 ( 0.018 -0.351 0.000) 0.351 24.212 ( -0.261 0.360 0.000) 0.445 24.221 ( 0.014 -0.000 0.000) 0.014 24.661 ( 0.387 1.517 0.000) 1.566 24.719 ( -0.138 0.450 0.000) 0.470 24.763 ( -0.806 -3.479 0.000) 3.571 24.772 ( -0.059 -1.984 0.000) 1.985 25.104 ( 0.120 3.909 0.000) 3.911 25.166 ( 3.117 2.047 0.000) 3.729 25.347 ( -1.283 2.924 0.000) 3.193 25.479 ( 3.316 -3.482 0.000) 4.808 25.635 ( 2.452 0.441 0.000) 2.491 25.731 ( 4.438 -3.895 0.000) 5.905 25.864 ( -5.617 4.708 0.000) 7.329 26.045 ( -1.171 -3.744 0.000) 3.923 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 14.061 6.316 0.000) 15.414 1.156 ( 11.941 10.183 0.000) 15.693 1.367 ( 3.144 -3.033 0.000) 4.369 1.413 ( 4.963 6.262 0.000) 7.990 1.451 ( 0.372 9.290 0.000) 9.297 1.476 ( 0.665 4.220 0.000) 4.272 1.575 ( 5.196 4.704 0.000) 7.009 1.607 ( -1.480 -4.199 0.000) 4.453 1.663 ( 4.355 2.088 0.000) 4.830 1.754 ( -2.612 4.399 0.000) 5.116 1.765 ( -1.303 -0.581 0.000) 1.427 1.824 ( 1.980 1.869 0.000) 2.723 1.875 ( 3.299 3.421 0.000) 4.752 1.905 ( 0.192 -4.149 0.000) 4.153 1.936 ( 0.478 -4.744 0.000) 4.768 1.988 ( 3.257 4.107 0.000) 5.242 2.031 ( 6.325 0.333 0.000) 6.334 2.101 ( 2.182 -0.041 0.000) 2.183 2.108 ( -3.663 2.349 0.000) 4.351 2.135 ( -1.243 3.323 0.000) 3.548 2.172 ( 4.127 0.625 0.000) 4.174 2.259 ( 4.785 0.061 0.000) 4.786 2.301 ( 0.887 -5.630 0.000) 5.700 2.330 ( 0.045 6.642 0.000) 6.642 2.382 ( 2.150 2.951 0.000) 3.651 2.392 ( -2.794 2.052 0.000) 3.466 2.438 ( 0.176 1.080 0.000) 1.094 2.477 ( 3.821 -5.728 0.000) 6.885 2.654 ( -4.197 -2.213 0.000) 4.745 2.658 ( -1.994 0.697 0.000) 2.112 2.672 ( -0.051 -4.817 0.000) 4.817 2.743 ( -3.221 -0.695 0.000) 3.295 2.817 ( 0.465 2.830 0.000) 2.868 2.864 ( -0.099 3.530 0.000) 3.532 2.876 ( -0.439 -0.623 0.000) 0.762 2.922 ( -3.480 4.146 0.000) 5.413 2.979 ( -4.483 3.149 0.000) 5.479 3.019 ( -4.577 1.887 0.000) 4.950 3.091 ( 2.924 -3.257 0.000) 4.377 3.200 ( -1.690 -1.914 0.000) 2.553 3.346 ( -1.290 2.565 0.000) 2.871 3.365 ( -0.321 3.026 0.000) 3.043 3.416 ( 0.249 0.083 0.000) 0.262 3.451 ( -0.038 -0.001 0.000) 0.038 3.595 ( 0.701 0.149 0.000) 0.717 3.620 ( -0.548 1.916 0.000) 1.993 3.684 ( 0.697 -1.872 0.000) 1.998 3.735 ( -2.310 -9.939 0.000) 10.204 9.068 ( 2.046 0.210 0.000) 2.057 9.118 ( 2.909 -2.414 0.000) 3.781 9.132 ( -0.391 0.404 0.000) 0.563 9.203 ( -0.070 -3.090 0.000) 3.091 9.370 ( 1.335 3.794 0.000) 4.022 9.413 ( 0.049 3.574 0.000) 3.575 9.446 ( -0.113 0.591 0.000) 0.601 9.453 ( -2.879 1.403 0.000) 3.203 11.225 ( 1.461 0.776 0.000) 1.654 11.254 ( 2.796 -0.385 0.000) 2.822 11.264 ( -2.284 2.913 0.000) 3.702 11.391 ( -4.305 -2.734 0.000) 5.100 11.454 ( -2.456 2.613 0.000) 3.586 11.476 ( -4.104 2.358 0.000) 4.733 11.547 ( -3.153 -0.094 0.000) 3.154 11.557 ( -2.805 -1.024 0.000) 2.986 11.941 ( 3.033 1.060 0.000) 3.213 11.965 ( 2.304 0.559 0.000) 2.371 12.021 ( 2.645 -2.161 0.000) 3.416 12.058 ( 2.223 -3.302 0.000) 3.980 24.204 ( 0.048 0.090 0.000) 0.102 24.207 ( -0.193 0.325 0.000) 0.378 24.212 ( 0.100 -0.336 0.000) 0.351 24.220 ( -0.161 -0.206 0.000) 0.261 24.674 ( 0.833 1.209 0.000) 1.469 24.712 ( -0.631 0.764 0.000) 0.991 24.749 ( -0.375 -2.692 0.000) 2.718 24.764 ( -0.684 -1.787 0.000) 1.913 25.131 ( 2.613 4.812 0.000) 5.476 25.268 ( 6.697 0.030 0.000) 6.697 25.295 ( -3.682 5.617 0.000) 6.716 25.534 ( 0.148 -6.538 0.000) 6.540 25.680 ( 1.468 1.746 0.000) 2.281 25.730 ( -5.580 8.008 0.000) 9.760 25.845 ( 5.868 -4.750 0.000) 7.549 26.013 ( -2.033 -6.074 0.000) 6.405 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -1.004 5.807 0.000) 5.893 1.340 ( 1.004 5.807 0.000) 5.893 1.368 ( -4.399 4.946 0.000) 6.619 1.368 ( 4.399 4.946 0.000) 6.619 1.464 ( -1.220 6.423 0.000) 6.538 1.464 ( 1.220 6.423 0.000) 6.538 1.609 ( -2.904 2.315 0.000) 3.714 1.609 ( 2.904 2.315 0.000) 3.714 1.716 ( -2.970 0.406 0.000) 2.997 1.716 ( 2.970 0.406 0.000) 2.997 1.803 ( -5.329 0.254 0.000) 5.335 1.803 ( 5.329 0.254 0.000) 5.335 1.910 ( -0.120 -1.746 0.000) 1.750 1.910 ( 0.120 -1.746 0.000) 1.750 2.016 ( -4.937 -3.562 0.000) 6.088 2.016 ( 4.937 -3.562 0.000) 6.088 2.057 ( -3.164 9.767 0.000) 10.267 2.057 ( 3.164 9.767 0.000) 10.267 2.114 ( -0.684 1.719 0.000) 1.850 2.114 ( 0.684 1.719 0.000) 1.850 2.257 ( -2.633 1.106 0.000) 2.856 2.257 ( 2.633 1.106 0.000) 2.856 2.334 ( -2.016 -3.127 0.000) 3.720 2.334 ( 2.016 -3.127 0.000) 3.720 2.393 ( -1.253 -0.622 0.000) 1.399 2.393 ( 1.253 -0.622 0.000) 1.399 2.499 ( -6.379 -3.029 0.000) 7.062 2.499 ( 6.379 -3.029 0.000) 7.062 2.608 ( -5.736 -1.368 0.000) 5.896 2.608 ( 5.736 -1.368 0.000) 5.896 2.691 ( -0.246 1.310 0.000) 1.333 2.691 ( 0.246 1.310 0.000) 1.333 2.844 ( -1.880 2.607 0.000) 3.214 2.844 ( 1.880 2.607 0.000) 3.214 2.898 ( -2.081 4.681 0.000) 5.122 2.898 ( 2.081 4.681 0.000) 5.122 2.917 ( -3.825 1.068 0.000) 3.972 2.917 ( 3.826 1.068 0.000) 3.972 3.158 ( -2.700 -3.323 0.000) 4.282 3.158 ( 2.700 -3.323 0.000) 4.282 3.345 ( -1.050 2.291 0.000) 2.520 3.345 ( 1.050 2.291 0.000) 2.520 3.436 ( -1.266 -0.895 0.000) 1.551 3.436 ( 1.266 -0.895 0.000) 1.551 3.606 ( -0.499 1.546 0.000) 1.625 3.606 ( 0.499 1.546 0.000) 1.625 3.696 ( -0.938 -5.230 0.000) 5.313 3.696 ( 0.938 -5.230 0.000) 5.313 9.110 ( -1.721 0.414 0.000) 1.770 9.110 ( 1.721 0.414 0.000) 1.770 9.177 ( -2.349 -2.978 0.000) 3.793 9.177 ( 2.349 -2.978 0.000) 3.793 9.402 ( -1.846 2.932 0.000) 3.464 9.402 ( 1.846 2.932 0.000) 3.464 9.429 ( -1.177 2.054 0.000) 2.367 9.429 ( 1.177 2.054 0.000) 2.367 11.243 ( -0.369 1.736 0.000) 1.775 11.243 ( 0.369 1.736 0.000) 1.775 11.315 ( -3.121 -1.239 0.000) 3.358 11.315 ( 3.121 -1.239 0.000) 3.358 11.428 ( -0.344 2.179 0.000) 2.205 11.428 ( 0.344 2.179 0.000) 2.205 11.518 ( -0.525 -1.015 0.000) 1.142 11.518 ( 0.525 -1.015 0.000) 1.142 11.980 ( -0.691 0.746 0.000) 1.017 11.980 ( 0.691 0.746 0.000) 1.017 12.067 ( -1.208 -2.386 0.000) 2.675 12.067 ( 1.208 -2.386 0.000) 2.675 24.204 ( -0.052 0.174 0.000) 0.182 24.204 ( 0.052 0.174 0.000) 0.182 24.215 ( -0.234 -0.308 0.000) 0.387 24.215 ( 0.234 -0.308 0.000) 0.387 24.694 ( -1.017 0.976 0.000) 1.410 24.694 ( 1.017 0.976 0.000) 1.410 24.750 ( -0.448 -2.010 0.000) 2.059 24.750 ( 0.448 -2.010 0.000) 2.059 25.207 ( -4.335 5.917 0.000) 7.335 25.207 ( 4.335 5.917 0.000) 7.335 25.431 ( -8.186 -3.294 0.000) 8.824 25.431 ( 8.186 -3.294 0.000) 8.824 25.691 ( -0.152 4.925 0.000) 4.927 25.691 ( 0.152 4.925 0.000) 4.927 25.952 ( -4.055 -6.104 0.000) 7.328 25.952 ( 4.055 -6.104 0.000) 7.328 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 -14.053 0.000) 14.053 0.921 ( 0.000 14.053 0.000) 14.053 0.993 ( 0.000 -3.961 0.000) 3.961 0.993 ( 0.000 3.961 0.000) 3.961 1.519 ( 0.000 -0.403 0.000) 0.403 1.519 ( 0.000 0.403 0.000) 0.403 1.553 ( 0.000 -4.508 0.000) 4.508 1.553 ( 0.000 4.508 0.000) 4.508 1.683 ( 0.000 -1.853 0.000) 1.853 1.683 ( 0.000 1.853 0.000) 1.853 1.740 ( 0.000 -8.073 0.000) 8.073 1.740 ( 0.000 8.073 0.000) 8.073 1.821 ( 0.000 -4.837 0.000) 4.837 1.821 ( 0.000 4.837 0.000) 4.837 1.827 ( 0.000 -1.639 0.000) 1.639 1.827 ( 0.000 1.639 0.000) 1.639 2.012 ( 0.000 -1.375 0.000) 1.375 2.012 ( 0.000 1.375 0.000) 1.375 2.137 ( 0.000 -3.992 0.000) 3.992 2.137 ( 0.000 3.992 0.000) 3.992 2.206 ( 0.000 -1.112 0.000) 1.112 2.206 ( 0.000 1.112 0.000) 1.112 2.368 ( 0.000 -10.853 0.000) 10.853 2.368 ( 0.000 10.853 0.000) 10.853 2.435 ( 0.000 -3.268 0.000) 3.268 2.435 ( 0.000 3.268 0.000) 3.268 2.441 ( 0.000 -6.032 0.000) 6.032 2.441 ( 0.000 6.032 0.000) 6.032 2.641 ( 0.000 -3.491 0.000) 3.491 2.641 ( 0.000 3.491 0.000) 3.491 2.738 ( 0.000 -0.170 0.000) 0.170 2.738 ( 0.000 0.170 0.000) 0.170 2.911 ( 0.000 -0.070 0.000) 0.070 2.911 ( 0.000 0.070 0.000) 0.070 2.911 ( 0.000 -0.257 0.000) 0.257 2.911 ( 0.000 0.257 0.000) 0.257 3.109 ( 0.000 -1.873 0.000) 1.873 3.109 ( 0.000 1.873 0.000) 1.873 3.274 ( 0.000 -4.767 0.000) 4.767 3.274 ( 0.000 4.767 0.000) 4.767 3.418 ( 0.000 -6.665 0.000) 6.665 3.418 ( 0.000 6.665 0.000) 6.665 3.466 ( 0.000 -0.369 0.000) 0.369 3.466 ( 0.000 0.369 0.000) 0.369 3.530 ( 0.000 -0.479 0.000) 0.479 3.530 ( 0.000 0.479 0.000) 0.479 3.639 ( 0.000 -1.050 0.000) 1.050 3.639 ( 0.000 1.050 0.000) 1.050 9.025 ( 0.000 -0.744 0.000) 0.744 9.025 ( 0.000 0.744 0.000) 0.744 9.139 ( 0.000 -1.100 0.000) 1.100 9.139 ( 0.000 1.100 0.000) 1.100 9.396 ( 0.000 -1.932 0.000) 1.932 9.396 ( 0.000 1.932 0.000) 1.932 9.509 ( 0.000 -2.614 0.000) 2.614 9.509 ( 0.000 2.614 0.000) 2.614 11.182 ( 0.000 -0.659 0.000) 0.659 11.182 ( 0.000 0.659 0.000) 0.659 11.447 ( 0.000 -3.905 0.000) 3.905 11.447 ( 0.000 3.905 0.000) 3.905 11.656 ( 0.000 -3.842 0.000) 3.842 11.656 ( 0.000 3.842 0.000) 3.842 11.697 ( 0.000 -2.898 0.000) 2.898 11.697 ( 0.000 2.898 0.000) 2.898 11.829 ( 0.000 -3.617 0.000) 3.617 11.829 ( 0.000 3.617 0.000) 3.617 11.860 ( 0.000 -3.951 0.000) 3.951 11.860 ( 0.000 3.951 0.000) 3.951 24.205 ( 0.000 -0.193 0.000) 0.193 24.205 ( 0.000 0.193 0.000) 0.193 24.221 ( 0.000 -0.160 0.000) 0.160 24.221 ( 0.000 0.160 0.000) 0.160 24.703 ( 0.000 -2.924 0.000) 2.924 24.703 ( 0.000 2.924 0.000) 2.924 24.736 ( 0.000 -1.298 0.000) 1.298 24.736 ( 0.000 1.298 0.000) 1.298 25.156 ( 0.000 -0.702 0.000) 0.702 25.156 ( 0.000 0.702 0.000) 0.702 25.389 ( 0.000 -2.075 0.000) 2.075 25.389 ( 0.000 2.075 0.000) 2.075 25.623 ( 0.000 -1.831 0.000) 1.831 25.623 ( 0.000 1.831 0.000) 1.831 26.003 ( 0.000 -3.381 0.000) 3.381 26.003 ( 0.000 3.381 0.000) 3.381 ======================= Grid point 30 (18/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 9.302 -11.861 0.000) 15.074 1.030 ( 9.302 11.861 0.000) 15.074 1.125 ( 11.135 -7.906 0.000) 13.656 1.125 ( 11.135 7.906 0.000) 13.656 1.548 ( -0.551 -4.041 0.000) 4.079 1.548 ( -0.551 4.041 0.000) 4.079 1.573 ( 3.040 -1.772 0.000) 3.519 1.573 ( 3.040 1.772 0.000) 3.519 1.722 ( 2.917 -3.689 0.000) 4.703 1.722 ( 2.917 3.689 0.000) 4.703 1.756 ( 2.670 -4.725 0.000) 5.427 1.756 ( 2.670 4.725 0.000) 5.427 1.837 ( 1.674 -3.613 0.000) 3.982 1.837 ( 1.674 3.613 0.000) 3.982 1.857 ( 2.408 -2.026 0.000) 3.147 1.857 ( 2.408 2.026 0.000) 3.147 2.018 ( 1.219 -2.596 0.000) 2.868 2.018 ( 1.219 2.596 0.000) 2.868 2.159 ( 1.568 -4.948 0.000) 5.191 2.159 ( 1.568 4.948 0.000) 5.191 2.184 ( -1.504 -0.867 0.000) 1.736 2.184 ( -1.504 0.867 0.000) 1.736 2.347 ( -1.159 -7.052 0.000) 7.147 2.347 ( -1.159 7.052 0.000) 7.147 2.416 ( -1.262 -2.194 0.000) 2.531 2.416 ( -1.262 2.194 0.000) 2.531 2.478 ( 1.423 -3.376 0.000) 3.663 2.478 ( 1.423 3.376 0.000) 3.663 2.636 ( -0.599 -2.819 0.000) 2.882 2.636 ( -0.599 2.819 0.000) 2.882 2.713 ( -1.517 -1.072 0.000) 1.858 2.713 ( -1.517 1.072 0.000) 1.858 2.878 ( -2.628 -1.221 0.000) 2.898 2.878 ( -2.628 1.221 0.000) 2.898 2.923 ( 1.239 -2.703 0.000) 2.973 2.923 ( 1.239 2.703 0.000) 2.973 3.088 ( -2.080 -1.887 0.000) 2.808 3.088 ( -2.080 1.887 0.000) 2.808 3.205 ( -4.605 -5.338 0.000) 7.050 3.205 ( -4.605 5.338 0.000) 7.050 3.435 ( -2.341 -0.967 0.000) 2.533 3.435 ( -2.341 0.967 0.000) 2.533 3.449 ( 0.909 -4.285 0.000) 4.380 3.449 ( 0.909 4.285 0.000) 4.380 3.552 ( 2.090 -3.135 0.000) 3.768 3.552 ( 2.090 3.135 0.000) 3.768 3.651 ( 0.722 -1.071 0.000) 1.291 3.651 ( 0.722 1.071 0.000) 1.291 9.040 ( 1.465 -0.840 0.000) 1.689 9.040 ( 1.465 0.840 0.000) 1.689 9.147 ( 0.587 -1.388 0.000) 1.507 9.147 ( 0.587 1.388 0.000) 1.507 9.409 ( 1.112 -2.185 0.000) 2.452 9.409 ( 1.112 2.185 0.000) 2.452 9.492 ( -1.475 -2.202 0.000) 2.650 9.492 ( -1.475 2.202 0.000) 2.650 11.200 ( 1.601 -0.537 0.000) 1.689 11.200 ( 1.601 0.537 0.000) 1.689 11.407 ( -3.586 -3.816 0.000) 5.237 11.407 ( -3.586 3.816 0.000) 5.237 11.587 ( -4.242 -3.101 0.000) 5.254 11.587 ( -4.242 3.101 0.000) 5.254 11.627 ( -5.186 -1.770 0.000) 5.479 11.627 ( -5.186 1.770 0.000) 5.479 11.906 ( 4.909 -3.364 0.000) 5.951 11.906 ( 4.909 3.364 0.000) 5.951 11.915 ( 3.769 -2.000 0.000) 4.267 11.915 ( 3.769 2.000 0.000) 4.267 24.205 ( 0.026 -0.188 0.000) 0.190 24.205 ( 0.026 0.188 0.000) 0.190 24.219 ( -0.168 -0.265 0.000) 0.314 24.219 ( -0.168 0.265 0.000) 0.314 24.701 ( -0.093 -2.537 0.000) 2.538 24.701 ( -0.093 2.537 0.000) 2.538 24.738 ( 0.040 -1.348 0.000) 1.349 24.738 ( 0.040 1.348 0.000) 1.349 25.166 ( 1.286 -1.897 0.000) 2.292 25.166 ( 1.286 1.897 0.000) 2.292 25.408 ( 1.278 -3.312 0.000) 3.550 25.408 ( 1.278 3.312 0.000) 3.550 25.665 ( 3.613 -2.466 0.000) 4.374 25.665 ( 3.613 2.466 0.000) 4.374 25.962 ( -3.544 -4.575 0.000) 5.787 25.962 ( -3.544 4.575 0.000) 5.787 ======================= Grid point 32 (19/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 10.239 -7.251 0.000) 12.546 1.247 ( 10.239 7.251 0.000) 12.546 1.366 ( 9.554 -9.645 0.000) 13.576 1.366 ( 9.554 9.645 0.000) 13.576 1.536 ( 0.029 -2.625 0.000) 2.625 1.536 ( 0.029 2.625 0.000) 2.625 1.595 ( -0.142 -4.302 0.000) 4.304 1.595 ( -0.142 4.302 0.000) 4.304 1.753 ( -0.060 -5.398 0.000) 5.399 1.753 ( -0.060 5.398 0.000) 5.399 1.830 ( 1.642 -2.889 0.000) 3.324 1.830 ( 1.642 2.889 0.000) 3.324 1.874 ( -0.362 -0.651 0.000) 0.745 1.874 ( -0.362 0.651 0.000) 0.745 1.894 ( 2.982 -7.783 0.000) 8.335 1.894 ( 2.982 7.783 0.000) 8.335 2.112 ( 6.763 -1.751 0.000) 6.986 2.112 ( 6.763 1.751 0.000) 6.986 2.165 ( -0.078 -1.211 0.000) 1.213 2.165 ( -0.078 1.211 0.000) 1.213 2.196 ( 2.874 -8.442 0.000) 8.917 2.196 ( 2.874 8.442 0.000) 8.917 2.334 ( -0.334 -5.149 0.000) 5.160 2.334 ( -0.334 5.149 0.000) 5.160 2.400 ( -0.501 -3.290 0.000) 3.328 2.400 ( -0.501 3.290 0.000) 3.328 2.444 ( -3.825 -2.791 0.000) 4.735 2.444 ( -3.825 2.791 0.000) 4.735 2.616 ( -0.872 -1.449 0.000) 1.691 2.616 ( -0.872 1.449 0.000) 1.691 2.708 ( -0.780 -4.357 0.000) 4.426 2.708 ( -0.780 4.357 0.000) 4.426 2.836 ( 0.328 -0.268 0.000) 0.423 2.836 ( 0.328 0.268 0.000) 0.423 2.960 ( 1.729 -3.471 0.000) 3.878 2.960 ( 1.729 3.471 0.000) 3.878 3.029 ( -2.956 -0.860 0.000) 3.078 3.029 ( -2.956 0.860 0.000) 3.078 3.116 ( -3.856 -6.623 0.000) 7.664 3.116 ( -3.856 6.623 0.000) 7.664 3.393 ( -1.268 -2.013 0.000) 2.379 3.393 ( -1.268 2.013 0.000) 2.379 3.437 ( -1.737 -2.724 0.000) 3.231 3.437 ( -1.737 2.724 0.000) 3.231 3.597 ( 1.897 -2.464 0.000) 3.110 3.597 ( 1.897 2.464 0.000) 3.110 3.654 ( -0.540 -1.445 0.000) 1.543 3.654 ( -0.540 1.445 0.000) 1.543 9.082 ( 2.366 -1.182 0.000) 2.645 9.082 ( 2.366 1.182 0.000) 2.645 9.153 ( -0.239 -1.736 0.000) 1.753 9.153 ( -0.239 1.736 0.000) 1.753 9.431 ( 0.806 -2.023 0.000) 2.177 9.431 ( 0.806 2.023 0.000) 2.177 9.459 ( -1.356 -0.965 0.000) 1.665 9.459 ( -1.356 0.965 0.000) 1.665 11.242 ( 2.210 -0.777 0.000) 2.342 11.242 ( 2.210 0.777 0.000) 2.342 11.329 ( -3.156 -3.273 0.000) 4.547 11.329 ( -3.156 3.273 0.000) 4.547 11.513 ( -2.830 -2.941 0.000) 4.082 11.513 ( -2.830 2.941 0.000) 4.082 11.523 ( -4.099 -2.015 0.000) 4.568 11.523 ( -4.099 2.015 0.000) 4.568 11.984 ( 2.611 -1.420 0.000) 2.973 11.984 ( 2.611 1.420 0.000) 2.973 11.988 ( 2.741 -3.281 0.000) 4.276 11.988 ( 2.741 3.281 0.000) 4.276 24.206 ( 0.086 -0.191 0.000) 0.209 24.206 ( 0.086 0.191 0.000) 0.209 24.214 ( -0.251 -0.351 0.000) 0.432 24.214 ( -0.251 0.351 0.000) 0.432 24.704 ( 0.380 -1.818 0.000) 1.857 24.704 ( 0.380 1.818 0.000) 1.857 24.733 ( -0.571 -1.288 0.000) 1.409 24.733 ( -0.571 1.288 0.000) 1.409 25.222 ( 4.157 -3.886 0.000) 5.691 25.222 ( 4.157 3.886 0.000) 5.691 25.408 ( -1.968 -5.838 0.000) 6.161 25.408 ( -1.968 5.838 0.000) 6.161 25.750 ( 4.016 -4.524 0.000) 6.049 25.750 ( 4.016 4.524 0.000) 6.049 25.883 ( -3.475 -6.954 0.000) 7.774 25.883 ( -3.475 6.954 0.000) 7.774 ======================= Grid point 34 (20/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -4.423 -1.025 0.000) 4.540 1.409 ( -4.423 1.025 0.000) 4.540 1.409 ( 4.423 -1.025 0.000) 4.540 1.409 ( 4.423 1.025 0.000) 4.540 1.582 ( -1.945 -4.684 0.000) 5.071 1.582 ( 1.945 -4.684 0.000) 5.071 1.582 ( -1.945 4.684 0.000) 5.071 1.582 ( 1.945 4.684 0.000) 5.071 1.772 ( -3.238 -6.115 0.000) 6.919 1.772 ( 3.238 -6.115 0.000) 6.919 1.772 ( -3.238 6.115 0.000) 6.919 1.772 ( 3.238 6.115 0.000) 6.919 1.913 ( -1.442 -5.837 0.000) 6.013 1.913 ( 1.442 -5.837 0.000) 6.013 1.913 ( -1.442 5.837 0.000) 6.013 1.913 ( 1.442 5.837 0.000) 6.013 2.175 ( -0.057 -2.574 0.000) 2.575 2.175 ( 0.057 -2.574 0.000) 2.575 2.175 ( -0.057 2.574 0.000) 2.575 2.175 ( 0.057 2.574 0.000) 2.575 2.297 ( -3.967 -4.861 0.000) 6.274 2.297 ( 3.967 -4.861 0.000) 6.274 2.297 ( -3.967 4.861 0.000) 6.274 2.297 ( 3.967 4.861 0.000) 6.274 2.392 ( -0.520 -4.748 0.000) 4.776 2.392 ( 0.520 -4.748 0.000) 4.776 2.392 ( -0.520 4.748 0.000) 4.776 2.392 ( 0.520 4.748 0.000) 4.776 2.640 ( -3.575 -3.616 0.000) 5.084 2.640 ( 3.575 -3.616 0.000) 5.084 2.640 ( -3.575 3.616 0.000) 5.084 2.640 ( 3.575 3.616 0.000) 5.084 2.912 ( -5.010 -2.420 0.000) 5.564 2.912 ( -5.010 2.420 0.000) 5.564 2.912 ( 5.010 -2.420 0.000) 5.564 2.912 ( 5.010 2.420 0.000) 5.564 3.043 ( -3.106 -7.485 0.000) 8.104 3.043 ( 3.106 -7.485 0.000) 8.104 3.043 ( -3.106 7.485 0.000) 8.104 3.043 ( 3.106 7.485 0.000) 8.104 3.396 ( -1.551 -2.692 0.000) 3.107 3.396 ( 1.551 -2.692 0.000) 3.107 3.396 ( -1.551 2.692 0.000) 3.107 3.396 ( 1.551 2.692 0.000) 3.107 3.632 ( -1.481 -1.607 0.000) 2.186 3.632 ( 1.481 -1.607 0.000) 2.186 3.632 ( -1.481 1.607 0.000) 2.186 3.632 ( 1.481 1.607 0.000) 2.186 9.130 ( -1.961 -1.620 0.000) 2.544 9.130 ( 1.961 -1.620 0.000) 2.544 9.130 ( -1.961 1.620 0.000) 2.544 9.130 ( 1.961 1.620 0.000) 2.544 9.442 ( -0.431 -0.798 0.000) 0.907 9.442 ( 0.431 -0.798 0.000) 0.907 9.442 ( -0.431 0.798 0.000) 0.907 9.442 ( 0.431 0.798 0.000) 0.907 11.282 ( -1.707 -1.942 0.000) 2.586 11.282 ( 1.707 -1.942 0.000) 2.586 11.282 ( -1.707 1.942 0.000) 2.586 11.282 ( 1.707 1.942 0.000) 2.586 11.478 ( -0.005 -2.564 0.000) 2.564 11.478 ( 0.005 -2.564 0.000) 2.564 11.478 ( -0.005 2.564 0.000) 2.564 11.478 ( 0.005 2.564 0.000) 2.564 12.015 ( -0.181 -2.472 0.000) 2.479 12.015 ( 0.181 -2.472 0.000) 2.479 12.015 ( -0.181 2.472 0.000) 2.479 12.015 ( 0.181 2.472 0.000) 2.479 24.209 ( -0.195 -0.288 0.000) 0.348 24.209 ( 0.195 -0.288 0.000) 0.348 24.209 ( -0.195 0.288 0.000) 0.348 24.209 ( 0.195 0.288 0.000) 0.348 24.717 ( -0.810 -1.344 0.000) 1.569 24.717 ( 0.810 -1.344 0.000) 1.569 24.717 ( -0.810 1.344 0.000) 1.569 24.717 ( 0.810 1.344 0.000) 1.569 25.326 ( -5.246 -5.893 0.000) 7.890 25.326 ( 5.246 -5.893 0.000) 7.890 25.326 ( -5.246 5.893 0.000) 7.890 25.326 ( 5.246 5.893 0.000) 7.890 25.821 ( -2.875 -6.794 0.000) 7.378 25.821 ( 2.875 -6.794 0.000) 7.378 25.821 ( -2.875 6.794 0.000) 7.378 25.821 ( 2.875 6.794 0.000) 7.378 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.126 ( 0.000 0.000 5.140) 5.140 0.263 ( 0.000 0.000 -2.586) 2.586 0.345 ( 0.000 0.000 18.064) 18.064 0.593 ( 0.000 0.000 30.373) 30.373 0.959 ( 0.000 0.000 2.618) 2.618 1.237 ( 0.000 0.000 1.702) 1.702 1.333 ( 0.000 0.000 -0.942) 0.942 1.339 ( 0.000 0.000 0.564) 0.564 1.515 ( 0.000 0.000 6.458) 6.458 1.546 ( 0.000 0.000 -4.229) 4.229 1.587 ( 0.000 0.000 -0.283) 0.283 1.685 ( 0.000 0.000 5.649) 5.649 1.754 ( 0.000 0.000 -2.689) 2.689 1.806 ( 0.000 0.000 2.519) 2.519 1.856 ( 0.000 0.000 -6.515) 6.515 1.858 ( 0.000 0.000 4.119) 4.119 1.988 ( 0.000 0.000 1.966) 1.966 2.034 ( 0.000 0.000 1.554) 1.554 2.045 ( 0.000 0.000 -0.880) 0.880 2.095 ( 0.000 0.000 -8.083) 8.083 2.140 ( 0.000 0.000 5.262) 5.262 2.201 ( 0.000 0.000 -5.218) 5.218 2.204 ( 0.000 0.000 -2.011) 2.011 2.316 ( 0.000 0.000 -5.490) 5.490 2.325 ( 0.000 0.000 -4.785) 4.785 2.361 ( 0.000 0.000 -0.191) 0.191 2.529 ( 0.000 0.000 0.417) 0.417 2.582 ( 0.000 0.000 -1.415) 1.415 2.604 ( 0.000 0.000 0.791) 0.791 2.609 ( 0.000 0.000 -0.332) 0.332 2.702 ( 0.000 0.000 0.607) 0.607 2.720 ( 0.000 0.000 1.867) 1.867 2.808 ( 0.000 0.000 -6.960) 6.960 2.877 ( 0.000 0.000 -4.453) 4.453 2.945 ( 0.000 0.000 0.815) 0.815 3.013 ( 0.000 0.000 -1.291) 1.291 3.071 ( 0.000 0.000 2.021) 2.021 3.148 ( 0.000 0.000 -0.756) 0.756 3.175 ( 0.000 0.000 1.892) 1.892 3.227 ( 0.000 0.000 -0.172) 0.172 3.315 ( 0.000 0.000 1.484) 1.484 3.384 ( 0.000 0.000 3.681) 3.681 3.410 ( 0.000 0.000 1.112) 1.112 3.414 ( 0.000 0.000 -1.079) 1.079 3.439 ( 0.000 0.000 0.959) 0.959 3.575 ( 0.000 0.000 0.591) 0.591 3.699 ( 0.000 0.000 6.433) 6.433 4.234 ( 0.000 0.000 -5.210) 5.210 9.068 ( 0.000 0.000 0.972) 0.972 9.129 ( 0.000 0.000 0.059) 0.059 9.132 ( 0.000 0.000 -0.022) 0.022 9.158 ( 0.000 0.000 -1.511) 1.511 9.280 ( 0.000 0.000 1.819) 1.819 9.323 ( 0.000 0.000 0.422) 0.422 9.358 ( 0.000 0.000 -0.426) 0.426 9.389 ( 0.000 0.000 -1.120) 1.120 11.303 ( 0.000 0.000 0.018) 0.018 11.303 ( 0.000 0.000 0.014) 0.014 11.346 ( 0.000 0.000 1.414) 1.414 11.466 ( 0.000 0.000 -1.666) 1.666 11.505 ( 0.000 0.000 0.268) 0.268 11.509 ( 0.000 0.000 1.373) 1.373 11.526 ( 0.000 0.000 -0.261) 0.261 11.610 ( 0.000 0.000 -1.144) 1.144 11.747 ( 0.000 0.000 -0.156) 0.156 11.807 ( 0.000 0.000 -3.103) 3.103 11.969 ( 0.000 0.000 4.478) 4.478 12.155 ( 0.000 0.000 -1.480) 1.480 24.208 ( 0.000 0.000 -0.210) 0.210 24.211 ( 0.000 0.000 -0.197) 0.197 24.231 ( 0.000 0.000 0.104) 0.104 24.233 ( 0.000 0.000 0.031) 0.031 24.642 ( 0.000 0.000 2.663) 2.663 24.860 ( 0.000 0.000 -2.963) 2.963 24.882 ( 0.000 0.000 0.048) 0.048 24.887 ( 0.000 0.000 -0.093) 0.093 24.903 ( 0.000 0.000 0.218) 0.218 24.918 ( 0.000 0.000 -0.179) 0.179 25.326 ( 0.000 0.000 2.161) 2.161 25.504 ( 0.000 0.000 -3.466) 3.466 25.634 ( 0.000 0.000 3.390) 3.390 25.807 ( 0.000 0.000 -2.338) 2.338 25.898 ( 0.000 0.000 0.667) 0.667 25.903 ( 0.000 0.000 0.182) 0.182 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 13.051 0.000 3.206) 13.439 0.442 ( 14.044 0.000 4.513) 14.751 0.507 ( 13.118 0.000 11.432) 17.400 0.911 ( 22.565 0.000 15.657) 27.464 1.050 ( 9.055 0.000 5.697) 10.698 1.230 ( 0.290 0.000 -2.618) 2.634 1.281 ( -5.036 0.000 -0.555) 5.066 1.381 ( 3.685 0.000 -2.852) 4.660 1.541 ( -2.293 0.000 2.402) 3.320 1.566 ( 1.428 0.000 -4.381) 4.608 1.574 ( 2.147 0.000 6.596) 6.937 1.717 ( 3.349 0.000 3.644) 4.949 1.741 ( -0.611 0.000 1.501) 1.621 1.768 ( -4.080 0.000 0.025) 4.080 1.813 ( -2.558 0.000 -2.740) 3.748 1.887 ( 0.744 0.000 2.506) 2.614 1.997 ( 0.892 0.000 1.389) 1.651 2.061 ( 3.270 0.000 -0.076) 3.271 2.102 ( -1.988 0.000 1.977) 2.804 2.110 ( -0.298 0.000 0.394) 0.495 2.135 ( 5.495 0.000 0.172) 5.498 2.180 ( 4.795 0.000 -2.518) 5.416 2.215 ( 1.397 0.000 -3.562) 3.826 2.340 ( 0.649 0.000 -6.325) 6.358 2.366 ( 2.797 0.000 -5.188) 5.894 2.389 ( 1.968 0.000 -1.488) 2.467 2.519 ( -2.665 0.000 -1.295) 2.963 2.523 ( -0.462 0.000 0.361) 0.587 2.552 ( -2.115 0.000 -0.691) 2.225 2.664 ( -2.211 0.000 -2.885) 3.635 2.726 ( 1.527 0.000 -0.117) 1.531 2.729 ( 4.192 0.000 2.098) 4.688 2.788 ( -3.224 0.000 1.882) 3.734 2.860 ( -1.494 0.000 -3.956) 4.229 2.887 ( -3.670 0.000 1.895) 4.130 2.966 ( -3.512 0.000 2.026) 4.055 3.046 ( -6.150 0.000 0.674) 6.187 3.058 ( -0.849 0.000 2.156) 2.317 3.142 ( -0.707 0.000 -0.327) 0.779 3.250 ( -0.406 0.000 -0.703) 0.812 3.283 ( -6.078 0.000 1.352) 6.227 3.325 ( 0.875 0.000 0.950) 1.291 3.357 ( -2.636 0.000 7.404) 7.859 3.407 ( -0.676 0.000 -0.981) 1.191 3.465 ( 2.785 0.000 0.544) 2.838 3.637 ( 4.565 0.000 3.069) 5.500 3.692 ( 0.541 0.000 3.136) 3.182 4.294 ( -1.647 0.000 -11.144) 11.265 9.075 ( 0.737 0.000 1.036) 1.271 9.143 ( 1.207 0.000 0.011) 1.207 9.144 ( 1.230 0.000 0.020) 1.230 9.178 ( 1.310 0.000 -1.856) 2.272 9.276 ( -0.543 0.000 3.199) 3.245 9.309 ( -1.321 0.000 0.401) 1.381 9.342 ( -1.499 0.000 -0.401) 1.552 9.411 ( 1.247 0.000 -0.959) 1.573 11.249 ( -4.484 0.000 3.925) 5.959 11.314 ( 1.037 0.000 0.026) 1.037 11.315 ( 1.135 0.000 0.003) 1.135 11.364 ( -2.120 0.000 4.045) 4.567 11.395 ( -4.719 0.000 -1.165) 4.861 11.496 ( -0.829 0.000 0.247) 0.865 11.515 ( -1.003 0.000 -0.238) 1.031 11.605 ( -5.868 0.000 -2.874) 6.534 11.784 ( 5.481 0.000 0.950) 5.562 11.934 ( 4.087 0.000 -1.234) 4.270 12.093 ( 4.365 0.000 -5.812) 7.268 12.160 ( 0.534 0.000 -1.904) 1.977 24.204 ( -0.183 0.000 0.124) 0.221 24.210 ( -0.091 0.000 -0.051) 0.105 24.227 ( 0.025 0.000 -0.249) 0.250 24.240 ( 0.156 0.000 -0.204) 0.257 24.651 ( 0.869 0.000 2.864) 2.993 24.846 ( -2.311 0.000 0.183) 2.318 24.884 ( 0.190 0.000 0.037) 0.193 24.888 ( 0.081 0.000 -0.067) 0.105 24.902 ( -0.050 0.000 0.190) 0.196 24.916 ( -0.186 0.000 -0.166) 0.249 25.022 ( -6.221 0.000 12.345) 13.823 25.459 ( -4.834 0.000 -4.006) 6.278 25.701 ( 4.067 0.000 3.269) 5.219 25.839 ( 2.617 0.000 0.875) 2.759 25.905 ( 1.582 0.000 -1.423) 2.128 26.208 ( 8.435 0.000 -13.607) 16.009 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 9.842 0.000 9.286) 13.531 0.721 ( 10.022 0.000 7.105) 12.285 0.803 ( 14.182 0.000 5.270) 15.130 1.135 ( 2.665 0.000 2.440) 3.613 1.173 ( -2.833 0.000 -1.213) 3.082 1.284 ( 4.549 0.000 -7.503) 8.774 1.430 ( 1.307 0.000 -7.394) 7.509 1.432 ( -7.189 0.000 -1.358) 7.316 1.481 ( 23.776 0.000 11.292) 26.321 1.556 ( -2.880 0.000 -5.465) 6.177 1.575 ( -5.483 0.000 -0.732) 5.532 1.682 ( -0.291 0.000 3.807) 3.818 1.754 ( -1.724 0.000 3.033) 3.488 1.763 ( 3.220 0.000 6.123) 6.918 1.855 ( 6.955 0.000 3.654) 7.856 1.917 ( 2.693 0.000 1.810) 3.245 2.020 ( 1.935 0.000 0.569) 2.017 2.062 ( -0.170 0.000 1.279) 1.290 2.083 ( -2.495 0.000 2.741) 3.707 2.140 ( 0.812 0.000 -0.579) 0.997 2.174 ( -1.349 0.000 -0.900) 1.622 2.291 ( 5.007 0.000 -3.651) 6.197 2.312 ( 4.600 0.000 -2.502) 5.236 2.330 ( -0.959 0.000 -6.943) 7.009 2.410 ( -0.422 0.000 -2.943) 2.973 2.476 ( -5.970 0.000 0.172) 5.972 2.512 ( 8.488 0.000 -5.112) 9.908 2.515 ( -0.275 0.000 0.037) 0.277 2.521 ( -0.623 0.000 -0.472) 0.782 2.575 ( 0.034 0.000 2.562) 2.562 2.663 ( -5.373 0.000 2.424) 5.894 2.749 ( 0.877 0.000 -0.943) 1.288 2.796 ( 0.306 0.000 3.970) 3.982 2.820 ( -2.231 0.000 -2.779) 3.563 2.847 ( -1.485 0.000 2.661) 3.048 2.914 ( -1.343 0.000 -0.171) 1.353 2.999 ( 1.745 0.000 -0.008) 1.745 3.053 ( 0.573 0.000 2.071) 2.149 3.117 ( -1.626 0.000 0.494) 1.700 3.153 ( -5.487 0.000 -0.300) 5.495 3.205 ( -2.151 0.000 1.730) 2.760 3.323 ( -2.804 0.000 4.287) 5.122 3.347 ( 1.076 0.000 0.094) 1.080 3.389 ( -0.965 0.000 -0.753) 1.224 3.529 ( 3.176 0.000 1.158) 3.381 3.640 ( -2.258 0.000 5.588) 6.027 3.793 ( 7.366 0.000 -4.327) 8.543 4.171 ( -8.853 0.000 -8.605) 12.346 9.098 ( 1.502 0.000 1.203) 1.925 9.175 ( 1.907 0.000 0.110) 1.910 9.176 ( -1.583 0.000 0.054) 1.584 9.183 ( 2.348 0.000 -0.094) 2.350 9.272 ( -2.130 0.000 0.337) 2.156 9.299 ( -2.504 0.000 -0.326) 2.526 9.300 ( 2.933 0.000 1.846) 3.466 9.414 ( -1.074 0.000 -0.565) 1.214 11.227 ( 1.200 0.000 0.972) 1.544 11.312 ( -2.192 0.000 0.153) 2.197 11.336 ( -1.223 0.000 1.310) 1.792 11.342 ( 1.427 0.000 0.049) 1.428 11.345 ( 1.468 0.000 -0.022) 1.468 11.467 ( -6.549 0.000 -0.997) 6.624 11.474 ( -1.065 0.000 0.174) 1.079 11.488 ( -1.495 0.000 -0.164) 1.504 11.900 ( 5.064 0.000 -0.171) 5.067 11.989 ( 1.211 0.000 -1.025) 1.586 12.127 ( 0.443 0.000 -2.544) 2.583 12.161 ( -0.751 0.000 -2.209) 2.333 24.203 ( 0.070 0.000 -0.032) 0.077 24.208 ( -0.125 0.000 -0.133) 0.183 24.230 ( 0.219 0.000 -0.461) 0.511 24.240 ( -0.118 0.000 -0.323) 0.344 24.678 ( 1.724 0.000 3.503) 3.904 24.779 ( -3.191 0.000 5.058) 5.980 24.889 ( 0.213 0.000 0.017) 0.214 24.890 ( 0.131 0.000 0.011) 0.131 24.902 ( 0.004 0.000 0.094) 0.094 24.911 ( -0.313 0.000 -0.127) 0.338 25.035 ( 4.410 0.000 1.459) 4.645 25.322 ( -7.736 0.000 -3.490) 8.486 25.781 ( 3.184 0.000 1.903) 3.709 25.856 ( -0.539 0.000 2.740) 2.792 26.013 ( 7.598 0.000 -2.420) 7.974 26.255 ( -1.889 0.000 -7.206) 7.450 ======================= Grid point 66 (24/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -5.110 0.000 9.950) 11.185 0.761 ( 5.110 0.000 9.950) 11.185 1.059 ( -9.332 0.000 3.030) 9.812 1.059 ( 9.332 0.000 3.030) 9.812 1.247 ( -8.525 0.000 -1.016) 8.585 1.247 ( 8.525 0.000 -1.016) 8.585 1.422 ( -7.391 0.000 -8.153) 11.005 1.422 ( 7.391 0.000 -8.153) 11.005 1.475 ( -3.560 0.000 -6.718) 7.603 1.475 ( 3.560 0.000 -6.718) 7.603 1.713 ( -2.011 0.000 4.932) 5.326 1.713 ( 2.011 0.000 4.932) 5.326 1.802 ( -2.775 0.000 5.581) 6.233 1.802 ( 2.775 0.000 5.581) 6.233 1.997 ( -5.850 0.000 3.770) 6.959 1.997 ( 5.850 0.000 3.770) 6.959 2.037 ( -5.185 0.000 -0.069) 5.186 2.037 ( 5.185 0.000 -0.069) 5.186 2.101 ( -7.511 0.000 3.373) 8.234 2.101 ( 7.511 0.000 3.373) 8.234 2.165 ( -4.371 0.000 -0.166) 4.374 2.165 ( 4.371 0.000 -0.166) 4.374 2.373 ( -1.348 0.000 -4.275) 4.483 2.373 ( 1.348 0.000 -4.275) 4.483 2.374 ( -2.886 0.000 -3.088) 4.227 2.374 ( 2.886 0.000 -3.088) 4.227 2.515 ( -0.232 0.000 -0.638) 0.678 2.515 ( 0.232 0.000 -0.638) 0.678 2.593 ( -2.698 0.000 2.145) 3.447 2.593 ( 2.698 0.000 2.145) 3.447 2.757 ( -6.591 0.000 0.790) 6.638 2.757 ( 6.591 0.000 0.790) 6.638 2.775 ( -1.811 0.000 -1.728) 2.503 2.775 ( 1.811 0.000 -1.728) 2.503 2.831 ( -3.094 0.000 -1.504) 3.440 2.831 ( 3.094 0.000 -1.504) 3.440 3.074 ( -2.921 0.000 2.740) 4.005 3.074 ( 2.921 0.000 2.740) 4.005 3.080 ( -1.798 0.000 1.375) 2.263 3.080 ( 1.798 0.000 1.375) 2.263 3.228 ( -4.757 0.000 2.379) 5.319 3.228 ( 4.757 0.000 2.379) 5.319 3.368 ( -1.002 0.000 -0.444) 1.096 3.368 ( 1.002 0.000 -0.444) 1.096 3.589 ( -2.585 0.000 2.586) 3.657 3.589 ( 2.585 0.000 2.586) 3.657 3.970 ( -9.575 0.000 -6.536) 11.593 3.970 ( 9.575 0.000 -6.536) 11.593 9.135 ( -1.991 0.000 1.230) 2.340 9.135 ( 1.991 0.000 1.230) 2.340 9.217 ( -1.496 0.000 0.135) 1.502 9.217 ( 1.496 0.000 0.135) 1.502 9.245 ( -1.961 0.000 -0.123) 1.965 9.245 ( 1.961 0.000 -0.123) 1.965 9.368 ( -3.124 0.000 0.063) 3.125 9.368 ( 3.124 0.000 0.063) 3.125 11.269 ( -2.277 0.000 0.632) 2.364 11.269 ( 2.277 0.000 0.632) 2.364 11.357 ( -3.482 0.000 -0.083) 3.483 11.357 ( 3.482 0.000 -0.083) 3.483 11.362 ( -0.147 0.000 0.019) 0.148 11.362 ( 0.147 0.000 0.019) 0.148 11.464 ( -0.418 0.000 -0.001) 0.418 11.464 ( 0.418 0.000 -0.001) 0.418 11.979 ( -2.237 0.000 -1.060) 2.475 11.979 ( 2.237 0.000 -1.060) 2.475 12.139 ( -0.937 0.000 -1.579) 1.836 12.139 ( 0.937 0.000 -1.579) 1.836 24.205 ( -0.120 0.000 -0.165) 0.204 24.205 ( 0.120 0.000 -0.165) 0.204 24.235 ( -0.261 0.000 -0.445) 0.516 24.235 ( 0.261 0.000 -0.445) 0.516 24.721 ( -2.418 0.000 4.456) 5.070 24.721 ( 2.418 0.000 4.456) 5.070 24.892 ( -0.045 0.000 0.050) 0.067 24.892 ( 0.045 0.000 0.050) 0.067 24.904 ( -0.275 0.000 -0.053) 0.280 24.904 ( 0.275 0.000 -0.053) 0.280 25.161 ( -7.307 0.000 -1.834) 7.533 25.161 ( 7.307 0.000 -1.834) 7.533 25.832 ( -1.753 0.000 1.966) 2.634 25.832 ( 1.753 0.000 1.966) 2.634 26.165 ( -6.290 0.000 -3.642) 7.269 26.165 ( 6.290 0.000 -3.642) 7.269 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 0.000 13.926 7.969) 16.045 0.487 ( 0.000 12.441 11.255) 16.777 0.594 ( 0.000 21.858 0.007) 21.858 0.679 ( 0.000 8.222 14.132) 16.349 0.984 ( 0.000 5.951 2.876) 6.609 1.274 ( 0.000 1.864 5.195) 5.519 1.392 ( 0.000 2.631 -3.548) 4.417 1.404 ( 0.000 6.174 2.149) 6.537 1.518 ( 0.000 -3.085 -1.543) 3.449 1.646 ( 0.000 4.808 -0.089) 4.809 1.664 ( 0.000 7.653 -0.012) 7.653 1.705 ( 0.000 2.259 2.677) 3.503 1.792 ( 0.000 4.758 0.715) 4.812 1.845 ( 0.000 3.135 -1.627) 3.532 1.858 ( 0.000 1.247 2.681) 2.957 1.891 ( 0.000 2.789 -3.976) 4.857 1.948 ( 0.000 -2.452 2.071) 3.209 2.027 ( 0.000 -2.107 -1.405) 2.532 2.060 ( 0.000 -2.602 -6.716) 7.203 2.071 ( 0.000 1.990 2.740) 3.386 2.109 ( 0.000 -2.672 3.073) 4.072 2.161 ( 0.000 1.179 3.012) 3.234 2.176 ( 0.000 -3.444 -3.066) 4.611 2.255 ( 0.000 -3.144 -5.689) 6.500 2.328 ( 0.000 0.154 -4.852) 4.855 2.394 ( 0.000 1.220 0.462) 1.305 2.575 ( 0.000 -0.579 0.372) 0.688 2.586 ( 0.000 1.239 -1.491) 1.939 2.638 ( 0.000 2.594 0.381) 2.622 2.668 ( 0.000 3.442 -0.209) 3.448 2.723 ( 0.000 2.393 -2.293) 3.315 2.751 ( 0.000 3.286 1.921) 3.807 2.759 ( 0.000 -2.709 -8.088) 8.530 2.852 ( 0.000 -2.058 -2.376) 3.143 2.914 ( 0.000 -2.967 0.878) 3.094 2.970 ( 0.000 2.069 -2.289) 3.085 3.089 ( 0.000 0.234 1.655) 1.671 3.130 ( 0.000 -3.258 -0.225) 3.266 3.189 ( 0.000 1.026 4.588) 4.701 3.265 ( 0.000 0.979 2.707) 2.879 3.312 ( 0.000 0.900 0.121) 0.908 3.345 ( 0.000 -1.031 0.783) 1.294 3.416 ( 0.000 0.201 2.173) 2.182 3.466 ( 0.000 2.147 2.434) 3.245 3.482 ( 0.000 2.674 -2.606) 3.734 3.575 ( 0.000 -0.055 1.763) 1.764 3.653 ( 0.000 -3.439 2.469) 4.234 4.132 ( 0.000 -7.252 -4.216) 8.389 9.045 ( 0.000 -1.297 0.565) 1.414 9.119 ( 0.000 -1.491 -1.430) 2.066 9.161 ( 0.000 0.076 0.745) 0.749 9.170 ( 0.000 3.331 -0.015) 3.331 9.275 ( 0.000 0.782 0.098) 0.788 9.300 ( 0.000 -3.365 -0.340) 3.382 9.360 ( 0.000 2.600 1.287) 2.901 9.449 ( 0.000 3.360 -0.805) 3.455 11.171 ( 0.000 -2.975 0.066) 2.976 11.233 ( 0.000 -4.166 -0.750) 4.233 11.412 ( 0.000 0.467 4.949) 4.971 11.499 ( 0.000 0.611 0.698) 0.928 11.517 ( 0.000 1.335 0.108) 1.339 11.551 ( 0.000 3.568 -0.957) 3.694 11.573 ( 0.000 4.612 0.113) 4.614 11.658 ( 0.000 2.367 -2.933) 3.769 11.732 ( 0.000 -1.212 0.322) 1.254 11.846 ( 0.000 1.316 -2.637) 2.948 11.949 ( 0.000 -1.431 2.329) 2.733 12.124 ( 0.000 -2.957 -1.478) 3.306 24.203 ( 0.000 -0.283 0.080) 0.294 24.211 ( 0.000 0.011 -0.197) 0.197 24.224 ( 0.000 -0.293 0.876) 0.924 24.229 ( 0.000 -0.267 0.125) 0.295 24.643 ( 0.000 0.149 2.414) 2.418 24.810 ( 0.000 -4.259 3.787) 5.699 24.835 ( 0.000 -1.625 -2.264) 2.787 24.899 ( 0.000 -1.870 -0.402) 1.913 24.937 ( 0.000 4.286 -0.350) 4.300 24.944 ( 0.000 3.984 -0.315) 3.997 25.338 ( 0.000 0.973 1.981) 2.207 25.498 ( 0.000 -0.562 -3.162) 3.211 25.637 ( 0.000 -0.753 2.642) 2.747 25.796 ( 0.000 -1.262 -2.744) 3.020 25.881 ( 0.000 -1.187 1.436) 1.863 26.001 ( 0.000 4.319 -5.955) 7.356 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 10.549 10.507 6.531) 16.258 0.618 ( 10.476 9.687 9.285) 17.023 0.668 ( 6.705 18.775 2.734) 20.123 0.966 ( 15.642 3.745 3.663) 16.496 1.107 ( 13.791 7.708 6.421) 17.053 1.308 ( 1.152 6.163 1.364) 6.416 1.372 ( 0.806 3.029 -0.590) 3.190 1.434 ( -0.096 6.695 -1.613) 6.887 1.531 ( 0.703 -2.082 -0.417) 2.236 1.582 ( -3.383 0.703 -0.366) 3.475 1.654 ( -0.044 6.149 1.624) 6.360 1.732 ( 1.281 3.964 0.931) 4.269 1.778 ( -0.641 3.364 1.415) 3.705 1.815 ( -1.419 3.360 -0.075) 3.648 1.854 ( -2.689 3.103 -0.825) 4.188 1.899 ( 0.719 2.346 1.949) 3.134 1.978 ( 2.627 -1.241 2.851) 4.070 2.062 ( -1.400 -0.545 1.473) 2.104 2.083 ( 2.842 -0.882 0.950) 3.124 2.109 ( 5.441 -2.019 -0.432) 5.819 2.129 ( 2.218 1.219 -2.467) 3.535 2.168 ( 4.342 -1.347 -0.319) 4.557 2.190 ( 0.794 -2.131 -2.305) 3.238 2.293 ( 0.936 -2.402 -5.351) 5.940 2.333 ( 2.143 -0.638 -4.873) 5.361 2.392 ( 0.180 -1.652 0.507) 1.738 2.527 ( -3.340 1.816 1.404) 4.053 2.558 ( -2.333 0.177 0.014) 2.340 2.604 ( -2.226 4.694 -2.901) 5.950 2.679 ( -2.341 0.760 -3.312) 4.127 2.691 ( 1.165 -1.860 -0.228) 2.206 2.770 ( 0.350 0.570 1.688) 1.816 2.780 ( 3.640 0.399 -0.940) 3.781 2.808 ( -4.184 -1.136 0.822) 4.413 2.894 ( -2.190 -1.284 -2.098) 3.294 2.956 ( -1.722 2.361 -2.577) 3.897 3.016 ( -5.115 0.507 2.505) 5.718 3.132 ( -1.175 1.375 1.153) 2.145 3.167 ( 0.089 -0.837 1.497) 1.718 3.267 ( -5.927 -0.585 -0.411) 5.970 3.293 ( -1.265 2.367 -0.841) 2.812 3.307 ( 1.027 -1.035 3.669) 3.948 3.396 ( -2.393 2.283 4.902) 5.913 3.445 ( -1.045 4.533 -0.765) 4.714 3.470 ( 1.299 0.478 1.249) 1.864 3.620 ( 2.635 -1.807 4.661) 5.651 3.666 ( 2.350 -1.636 -0.948) 3.016 4.176 ( -0.237 -9.468 -8.052) 12.431 9.057 ( 1.146 -1.099 0.683) 1.728 9.133 ( 1.093 -1.312 -1.176) 2.074 9.179 ( 1.442 1.769 0.405) 2.318 9.186 ( 1.684 1.526 0.147) 2.277 9.264 ( -0.974 0.280 1.422) 1.747 9.313 ( 0.449 -2.345 -0.423) 2.425 9.354 ( -0.735 3.217 0.291) 3.312 9.437 ( -1.173 2.137 -0.725) 2.543 11.184 ( 1.157 -2.374 0.122) 2.644 11.244 ( 0.852 -3.744 -0.765) 3.915 11.340 ( -5.503 0.667 5.286) 7.660 11.420 ( -1.872 3.087 1.256) 3.823 11.466 ( -4.649 3.419 -0.768) 5.822 11.517 ( -1.452 2.585 0.195) 2.971 11.535 ( -1.222 1.896 -0.325) 2.279 11.596 ( -6.229 -0.888 -2.197) 6.664 11.805 ( 6.027 1.934 0.868) 6.389 11.928 ( 3.766 -0.925 0.266) 3.887 12.058 ( 5.271 -2.584 -4.182) 7.207 12.126 ( 0.360 -3.002 -1.390) 3.328 24.203 ( -0.039 -0.126 0.075) 0.152 24.208 ( -0.179 -0.051 0.065) 0.197 24.223 ( 0.052 -0.302 0.062) 0.313 24.233 ( 0.166 -0.394 0.162) 0.457 24.651 ( 0.738 0.092 2.579) 2.684 24.783 ( -1.816 -2.986 2.856) 4.513 24.848 ( 0.533 -2.380 -0.641) 2.522 24.891 ( -0.642 -2.255 -0.303) 2.364 24.935 ( 0.007 3.575 -0.056) 3.576 24.965 ( 1.828 5.061 -1.707) 5.646 25.170 ( -7.788 8.840 6.047) 13.242 25.479 ( -2.668 1.695 -3.657) 4.834 25.687 ( 3.445 -1.572 2.611) 4.600 25.824 ( 2.051 -1.088 1.061) 2.553 25.875 ( 1.043 -2.783 -1.160) 3.190 26.150 ( 6.722 -4.034 -8.669) 11.687 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 7.988 15.059 5.056) 17.780 0.815 ( 11.425 8.177 4.783) 14.842 0.870 ( 10.765 7.449 5.352) 14.142 1.153 ( 4.795 3.248 1.673) 6.029 1.267 ( -4.172 5.896 -0.594) 7.247 1.366 ( 3.662 5.238 -5.313) 8.311 1.445 ( -3.038 1.808 -0.663) 3.597 1.477 ( -1.011 3.543 -6.272) 7.274 1.528 ( 9.060 2.437 3.374) 9.970 1.572 ( 4.934 5.068 0.792) 7.117 1.636 ( -2.284 5.126 -2.058) 5.977 1.719 ( 2.257 4.010 4.160) 6.203 1.788 ( -1.990 2.988 2.262) 4.243 1.811 ( 1.422 2.187 5.098) 5.727 1.859 ( 4.878 1.133 2.449) 5.575 1.935 ( 3.577 2.503 2.832) 5.204 2.013 ( 1.296 -0.565 2.962) 3.282 2.052 ( 0.345 -0.472 0.528) 0.788 2.103 ( -2.088 1.630 1.049) 2.849 2.147 ( 0.471 -0.119 -0.693) 0.846 2.170 ( 0.453 -0.353 -1.259) 1.384 2.252 ( 3.800 -3.545 -2.044) 5.584 2.282 ( -0.802 -2.870 -5.097) 5.904 2.315 ( 5.830 0.828 -2.606) 6.440 2.390 ( -0.778 -2.185 -1.280) 2.649 2.444 ( 5.234 -1.675 -2.958) 6.241 2.507 ( 2.064 0.290 1.508) 2.573 2.533 ( -2.141 1.563 -0.310) 2.669 2.548 ( -0.565 1.632 -3.158) 3.599 2.604 ( -2.477 1.256 -0.207) 2.785 2.687 ( -4.597 0.573 0.857) 4.712 2.744 ( -0.885 -1.309 2.945) 3.342 2.768 ( 0.800 0.324 -0.740) 1.137 2.793 ( -3.381 -2.342 1.532) 4.389 2.850 ( -2.137 2.243 -0.575) 3.151 2.920 ( 2.235 0.838 0.805) 2.519 2.982 ( 0.289 0.161 -1.284) 1.326 3.108 ( -4.591 -4.017 -0.174) 6.103 3.119 ( -0.811 1.807 1.804) 2.679 3.185 ( -1.166 2.767 -0.911) 3.137 3.238 ( -2.792 3.674 2.171) 5.100 3.302 ( -2.017 -0.136 1.881) 2.761 3.380 ( 0.439 2.242 2.151) 3.138 3.422 ( -1.285 3.422 0.294) 3.668 3.520 ( 2.929 -0.656 1.170) 3.222 3.620 ( -1.521 -1.587 4.165) 4.709 3.766 ( 6.145 -2.494 -3.898) 7.693 4.086 ( -7.386 -7.572 -7.559) 13.001 9.089 ( 1.823 -0.696 0.944) 2.168 9.149 ( 0.063 -1.112 -0.082) 1.117 9.216 ( 2.082 2.928 0.112) 3.594 9.227 ( 1.266 3.269 -0.166) 3.509 9.257 ( 1.198 -1.991 1.616) 2.830 9.304 ( -1.165 -0.016 -0.338) 1.214 9.329 ( -1.324 3.170 0.073) 3.436 9.401 ( -2.345 -0.606 -0.434) 2.460 11.215 ( 1.721 -1.152 0.142) 2.076 11.254 ( 0.001 -2.660 0.100) 2.662 11.298 ( 0.952 -1.078 1.779) 2.287 11.386 ( -1.517 1.738 0.586) 2.380 11.393 ( -1.944 2.161 -0.311) 2.923 11.460 ( -6.111 -0.686 -0.654) 6.184 11.489 ( -1.129 1.563 0.219) 1.941 11.507 ( -1.590 1.748 -0.212) 2.373 11.922 ( 4.808 1.822 0.145) 5.144 11.985 ( 1.691 -0.654 0.024) 1.813 12.105 ( 0.603 -1.884 -2.383) 3.097 12.136 ( -0.087 -2.131 -2.354) 3.177 24.203 ( 0.045 -0.039 -0.050) 0.078 24.205 ( -0.100 -0.152 -0.042) 0.187 24.226 ( 0.197 -0.361 -0.255) 0.484 24.234 ( -0.088 -0.425 -0.072) 0.440 24.673 ( 1.399 -0.205 2.975) 3.294 24.744 ( -1.868 -1.780 3.218) 4.125 24.854 ( 0.224 -2.771 -0.116) 2.783 24.876 ( -0.780 -2.877 -0.146) 2.984 24.940 ( 0.582 3.968 0.097) 4.012 24.988 ( -0.763 6.923 -1.019) 7.039 25.118 ( 2.942 6.600 2.548) 7.662 25.381 ( -6.454 5.231 -3.615) 9.060 25.752 ( 2.643 -2.888 1.599) 4.229 25.821 ( -0.999 -3.049 3.218) 4.544 25.986 ( 7.503 -2.513 -2.183) 8.208 26.203 ( -0.977 -4.447 -5.863) 7.423 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -2.478 12.552 6.695) 14.440 0.909 ( 2.478 12.552 6.695) 14.440 1.096 ( -9.530 3.896 1.463) 10.399 1.096 ( 9.530 3.896 1.463) 10.399 1.302 ( -7.330 3.677 -0.967) 8.257 1.302 ( 7.330 3.677 -0.967) 8.257 1.465 ( -4.948 4.101 -5.965) 8.769 1.465 ( 4.948 4.101 -5.965) 8.769 1.525 ( -3.953 5.274 -5.014) 8.281 1.525 ( 3.953 5.274 -5.014) 8.281 1.733 ( -2.976 1.422 5.193) 6.152 1.733 ( 2.976 1.422 5.193) 6.152 1.834 ( -1.680 2.598 4.854) 5.756 1.834 ( 1.680 2.598 4.854) 5.756 1.974 ( -4.564 -1.638 3.216) 5.819 1.974 ( 4.564 -1.638 3.216) 5.819 2.046 ( -1.819 0.792 0.168) 1.991 2.046 ( 1.819 0.792 0.168) 1.991 2.125 ( -4.364 1.820 0.698) 4.779 2.125 ( 4.364 1.820 0.698) 4.779 2.192 ( -4.977 2.083 -1.940) 5.733 2.192 ( 4.977 2.083 -1.940) 5.733 2.319 ( -3.018 -2.698 -0.446) 4.073 2.319 ( 3.018 -2.698 -0.446) 4.073 2.411 ( -3.647 2.261 -1.618) 4.586 2.411 ( 3.647 2.261 -1.618) 4.586 2.517 ( -0.693 1.207 -2.199) 2.602 2.517 ( 0.693 1.207 -2.199) 2.602 2.601 ( -1.773 -2.053 1.645) 3.173 2.601 ( 1.773 -2.053 1.645) 3.173 2.698 ( -3.053 -3.338 -2.141) 5.005 2.698 ( 3.053 -3.338 -2.141) 5.005 2.758 ( -4.031 1.386 0.924) 4.362 2.758 ( 4.031 1.386 0.924) 4.362 2.876 ( -5.617 1.606 0.846) 5.903 2.876 ( 5.617 1.606 0.846) 5.903 3.032 ( -2.703 -3.166 1.573) 4.450 3.032 ( 2.703 -3.166 1.573) 4.450 3.144 ( -2.645 2.327 -0.268) 3.533 3.144 ( 2.645 2.327 -0.268) 3.533 3.239 ( -2.889 2.720 1.825) 4.367 3.239 ( 2.889 2.720 1.825) 4.367 3.396 ( -1.074 2.404 0.512) 2.683 3.396 ( 1.074 2.404 0.512) 2.683 3.578 ( -2.479 -0.881 2.278) 3.480 3.578 ( 2.479 -0.881 2.278) 3.480 3.915 ( -8.198 -5.103 -5.930) 11.332 3.915 ( 8.198 -5.103 -5.930) 11.332 9.128 ( -1.775 -0.569 1.033) 2.131 9.128 ( 1.775 -0.569 1.033) 2.131 9.248 ( -0.349 2.234 -0.087) 2.263 9.248 ( 0.349 2.234 -0.087) 2.263 9.274 ( -1.082 2.724 0.017) 2.931 9.274 ( 1.082 2.724 0.017) 2.931 9.344 ( -2.736 -1.796 0.033) 3.272 9.344 ( 2.736 -1.796 0.033) 3.272 11.246 ( -0.994 -1.688 0.329) 1.987 11.246 ( 0.994 -1.688 0.329) 1.987 11.346 ( -3.301 -0.475 0.207) 3.341 11.346 ( 3.301 -0.475 0.207) 3.341 11.377 ( -0.512 0.844 0.082) 0.991 11.377 ( 0.512 0.844 0.082) 0.991 11.482 ( -0.568 1.549 0.008) 1.650 11.482 ( 0.568 1.549 0.008) 1.650 11.990 ( -1.469 0.654 -0.324) 1.640 11.990 ( 1.469 0.654 -0.324) 1.640 12.119 ( -0.995 -1.625 -1.843) 2.651 12.119 ( 0.995 -1.625 -1.843) 2.651 24.204 ( -0.059 -0.102 -0.133) 0.178 24.204 ( 0.059 -0.102 -0.133) 0.178 24.230 ( -0.234 -0.409 -0.241) 0.529 24.230 ( 0.234 -0.409 -0.241) 0.529 24.707 ( -1.759 -0.823 3.296) 3.826 24.707 ( 1.759 -0.823 3.296) 3.826 24.862 ( -0.516 -3.082 -0.046) 3.125 24.862 ( 0.516 -3.082 -0.046) 3.125 24.960 ( -1.290 5.474 0.292) 5.631 24.960 ( 1.290 5.474 0.292) 5.631 25.234 ( -7.046 6.142 -1.855) 9.530 25.234 ( 7.046 6.142 -1.855) 9.530 25.795 ( -1.590 -3.345 2.143) 4.279 25.795 ( 1.590 -3.345 2.143) 4.279 26.130 ( -5.671 -3.240 -3.216) 7.280 26.130 ( 5.671 -3.240 -3.216) 7.280 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 0.000 2.705 11.282) 11.602 0.763 ( 0.000 13.363 6.583) 14.896 0.821 ( 0.000 6.602 7.453) 9.956 1.013 ( 0.000 18.774 -1.691) 18.850 1.169 ( 0.000 9.072 -4.685) 10.210 1.376 ( 0.000 -6.501 -4.185) 7.732 1.383 ( 0.000 8.332 0.320) 8.338 1.446 ( 0.000 -1.046 -2.419) 2.636 1.545 ( 0.000 6.128 5.318) 8.114 1.706 ( 0.000 5.903 3.184) 6.707 1.770 ( 0.000 0.571 0.850) 1.024 1.800 ( 0.000 4.244 -1.638) 4.549 1.865 ( 0.000 -1.074 0.683) 1.272 1.871 ( 0.000 1.382 3.286) 3.565 1.872 ( 0.000 0.552 -0.346) 0.652 1.961 ( 0.000 -2.279 -3.129) 3.871 1.974 ( 0.000 5.708 -1.666) 5.946 1.986 ( 0.000 -3.416 0.184) 3.421 2.020 ( 0.000 -2.298 -2.264) 3.226 2.068 ( 0.000 8.741 0.801) 8.778 2.087 ( 0.000 -2.291 0.523) 2.350 2.175 ( 0.000 -5.276 -3.244) 6.194 2.186 ( 0.000 1.225 0.742) 1.432 2.211 ( 0.000 7.035 3.636) 7.919 2.340 ( 0.000 1.801 -3.252) 3.718 2.431 ( 0.000 2.418 -3.023) 3.871 2.521 ( 0.000 -6.763 3.994) 7.854 2.535 ( 0.000 -1.910 2.228) 2.934 2.702 ( 0.000 3.016 1.677) 3.450 2.702 ( 0.000 1.186 -2.088) 2.401 2.736 ( 0.000 -0.038 -7.161) 7.161 2.813 ( 0.000 5.218 -3.592) 6.335 2.837 ( 0.000 2.486 2.433) 3.478 2.838 ( 0.000 1.034 -2.823) 3.007 2.921 ( 0.000 3.460 -3.325) 4.798 2.971 ( 0.000 -2.550 -0.178) 2.556 3.036 ( 0.000 -5.484 -0.380) 5.497 3.090 ( 0.000 1.079 -0.615) 1.242 3.185 ( 0.000 -2.025 7.174) 7.454 3.263 ( 0.000 -0.142 4.222) 4.225 3.356 ( 0.000 2.550 -1.394) 2.906 3.361 ( 0.000 1.682 -1.086) 2.002 3.426 ( 0.000 1.066 3.119) 3.296 3.443 ( 0.000 -3.293 6.595) 7.372 3.529 ( 0.000 2.109 -2.317) 3.133 3.582 ( 0.000 0.849 -0.556) 1.014 3.623 ( 0.000 0.460 -1.660) 1.723 3.962 ( 0.000 -9.713 -4.238) 10.597 9.026 ( 0.000 -0.568 0.298) 0.641 9.083 ( 0.000 -1.812 -0.950) 2.046 9.146 ( 0.000 -1.275 0.720) 1.465 9.216 ( 0.000 -1.759 -1.368) 2.228 9.267 ( 0.000 2.926 1.149) 3.143 9.330 ( 0.000 4.188 -0.828) 4.269 9.409 ( 0.000 2.047 1.712) 2.668 9.507 ( 0.000 2.152 -0.663) 2.252 11.157 ( 0.000 0.616 -1.967) 2.061 11.175 ( 0.000 -1.505 -0.825) 1.716 11.408 ( 0.000 -0.390 4.812) 4.828 11.528 ( 0.000 2.237 0.720) 2.350 11.558 ( 0.000 2.703 -0.003) 2.703 11.581 ( 0.000 -0.991 -1.159) 1.525 11.663 ( 0.000 3.546 -1.016) 3.689 11.704 ( 0.000 2.213 -2.261) 3.164 11.728 ( 0.000 1.452 1.955) 2.436 11.834 ( 0.000 -1.985 1.876) 2.731 11.923 ( 0.000 -1.325 -0.758) 1.526 12.043 ( 0.000 -4.739 -1.361) 4.930 24.201 ( 0.000 -0.008 0.077) 0.077 24.211 ( 0.000 -0.067 -0.286) 0.294 24.220 ( 0.000 -0.052 0.733) 0.735 24.225 ( 0.000 -0.124 0.370) 0.390 24.649 ( 0.000 0.464 1.773) 1.833 24.751 ( 0.000 -1.818 2.240) 2.885 24.797 ( 0.000 -2.091 -1.925) 2.842 24.845 ( 0.000 -3.271 -0.543) 3.316 25.032 ( 0.000 4.390 0.030) 4.390 25.038 ( 0.000 5.187 -0.281) 5.194 25.356 ( 0.000 0.782 1.681) 1.854 25.479 ( 0.000 -1.389 -1.691) 2.188 25.613 ( 0.000 -1.266 1.294) 1.811 25.744 ( 0.000 -3.806 -2.690) 4.661 25.884 ( 0.000 1.809 2.049) 2.733 26.046 ( 0.000 0.766 -3.736) 3.814 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 9.874 6.490 9.711) 15.294 0.770 ( 8.863 9.363 6.383) 14.386 1.034 ( 7.526 12.668 -0.771) 14.755 1.099 ( 10.597 12.757 3.239) 16.897 1.249 ( 6.991 5.929 -4.496) 10.210 1.393 ( 0.692 -1.644 -3.550) 3.973 1.455 ( 1.757 -2.767 -0.677) 3.347 1.474 ( 7.380 6.965 -0.066) 10.148 1.575 ( 2.085 3.226 1.796) 4.240 1.647 ( -3.263 9.793 3.879) 11.027 1.766 ( -2.491 4.166 -0.715) 4.906 1.794 ( 1.823 1.020 -1.299) 2.460 1.839 ( -1.780 -0.754 0.170) 1.941 1.873 ( -0.403 2.605 0.337) 2.658 1.895 ( 1.604 2.491 0.954) 3.113 1.967 ( -1.080 -2.373 1.969) 3.267 2.014 ( 2.446 0.506 -1.552) 2.940 2.029 ( 0.456 6.575 0.169) 6.593 2.060 ( 4.334 -3.416 -0.139) 5.520 2.071 ( 4.147 -2.753 -2.008) 5.367 2.120 ( 2.009 1.089 0.082) 2.287 2.180 ( 1.482 2.649 0.446) 3.068 2.186 ( 0.481 0.505 1.091) 1.294 2.252 ( 3.851 0.073 -0.368) 3.869 2.343 ( -0.840 0.864 -3.456) 3.660 2.386 ( -1.449 2.980 0.236) 3.322 2.512 ( -1.437 -2.376 3.623) 4.565 2.553 ( -0.619 -4.182 -0.900) 4.322 2.646 ( -1.775 2.642 -1.241) 3.416 2.703 ( -0.922 0.971 -0.519) 1.436 2.720 ( -4.311 3.956 -3.630) 6.886 2.756 ( -0.863 0.634 0.079) 1.074 2.809 ( 0.479 0.881 -2.652) 2.835 2.835 ( -1.831 1.733 1.734) 3.060 2.893 ( -1.854 1.712 -1.896) 3.156 2.989 ( -0.039 -0.270 -3.471) 3.481 3.047 ( -2.752 -0.223 1.294) 3.049 3.058 ( -1.170 -2.673 -0.006) 2.918 3.158 ( -1.906 -1.722 5.764) 6.310 3.244 ( -2.574 -1.346 1.197) 3.142 3.325 ( -0.687 2.136 0.127) 2.247 3.335 ( -1.599 2.399 -0.514) 2.929 3.423 ( -0.522 0.827 5.114) 5.207 3.464 ( 1.511 -0.986 2.910) 3.424 3.536 ( -0.158 2.795 -1.755) 3.304 3.595 ( 0.960 0.338 0.565) 1.164 3.648 ( 2.308 -0.254 -1.954) 3.035 3.968 ( -0.769 -10.772 -5.217) 11.994 9.040 ( 1.321 -0.538 0.415) 1.486 9.100 ( 1.522 -1.713 -1.117) 2.550 9.159 ( 1.085 -1.755 1.466) 2.531 9.232 ( 1.461 -1.449 -1.226) 2.395 9.276 ( 0.790 2.686 1.039) 2.986 9.326 ( -0.547 4.300 -0.394) 4.352 9.413 ( 0.073 2.270 0.473) 2.320 9.482 ( -2.296 1.983 -0.496) 3.074 11.170 ( 1.225 0.559 -1.529) 2.037 11.193 ( 1.582 -1.250 -0.868) 2.195 11.351 ( -4.661 0.569 4.919) 6.801 11.469 ( -3.108 2.285 0.847) 3.949 11.515 ( -4.161 2.175 -0.554) 4.728 11.545 ( -3.895 -2.041 -1.162) 4.548 11.586 ( -3.840 3.250 -0.088) 5.032 11.603 ( -3.901 2.252 -0.383) 4.521 11.850 ( 6.109 1.998 0.700) 6.465 11.895 ( 3.642 -1.888 1.774) 4.469 12.011 ( 5.240 -2.143 -2.642) 6.247 12.049 ( 0.740 -4.279 -1.249) 4.519 24.201 ( 0.021 -0.008 0.032) 0.039 24.209 ( -0.195 0.069 -0.026) 0.208 24.218 ( -0.088 -0.212 0.293) 0.372 24.227 ( 0.077 -0.198 0.325) 0.388 24.656 ( 0.650 0.440 1.892) 2.048 24.741 ( -0.768 -1.271 1.852) 2.374 24.803 ( 0.239 -2.220 -1.172) 2.522 24.833 ( -0.986 -3.259 -0.341) 3.422 25.019 ( -0.193 4.388 0.147) 4.395 25.070 ( 2.413 4.906 -1.743) 5.738 25.306 ( -3.799 4.670 3.257) 6.845 25.512 ( 2.270 1.109 -2.089) 3.278 25.636 ( 1.225 -3.031 0.303) 3.283 25.787 ( 4.621 -3.836 -2.573) 6.534 25.837 ( -3.789 1.081 3.363) 5.180 26.082 ( 2.277 -2.639 -4.026) 5.325 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 11.856 8.965 2.855) 15.136 1.035 ( 11.300 8.287 5.051) 14.895 1.146 ( 4.645 14.634 -0.436) 15.360 1.277 ( 4.043 8.924 2.535) 10.120 1.358 ( -0.022 2.370 -1.736) 2.938 1.393 ( -0.132 1.396 -0.078) 1.404 1.519 ( 3.545 -0.157 -0.694) 3.616 1.542 ( -0.414 5.130 -2.443) 5.697 1.599 ( 2.871 6.815 -4.484) 8.649 1.709 ( -2.485 3.252 -2.898) 5.015 1.752 ( 6.942 2.494 3.700) 8.253 1.797 ( -0.922 1.579 2.046) 2.744 1.815 ( -2.062 3.633 -0.185) 4.182 1.862 ( 4.327 2.002 -0.231) 4.773 1.924 ( -0.510 7.588 5.082) 9.147 1.978 ( 2.709 -0.817 1.922) 3.421 2.030 ( -2.703 -1.508 1.239) 3.334 2.057 ( 2.598 0.378 -1.278) 2.920 2.089 ( 2.545 -0.057 -1.598) 3.006 2.128 ( -0.197 -1.568 -0.857) 1.797 2.174 ( 0.271 2.045 0.030) 2.063 2.212 ( 4.639 0.330 0.853) 4.729 2.263 ( 0.337 0.470 -3.141) 3.194 2.332 ( 5.442 0.769 -1.077) 5.601 2.356 ( 2.486 -0.192 0.785) 2.614 2.434 ( 5.948 0.641 -0.913) 6.051 2.473 ( -2.363 -4.683 2.831) 5.961 2.530 ( 1.699 0.124 -0.122) 1.708 2.621 ( -2.928 2.742 -2.200) 4.575 2.635 ( -2.939 3.799 -2.290) 5.321 2.707 ( -2.558 -0.733 1.489) 3.049 2.711 ( -1.755 1.613 1.154) 2.648 2.772 ( -2.717 0.372 0.120) 2.745 2.820 ( 0.238 2.669 -0.001) 2.680 2.886 ( 1.616 0.244 0.759) 1.802 2.956 ( -3.943 3.506 0.322) 5.286 2.972 ( -4.091 -4.248 2.130) 6.271 3.004 ( -2.101 -2.872 -0.776) 3.642 3.120 ( -0.435 -0.662 -0.215) 0.821 3.207 ( -1.429 -0.036 -1.347) 1.964 3.306 ( -0.565 2.675 2.175) 3.493 3.320 ( -0.683 1.191 0.021) 1.374 3.418 ( 0.381 1.190 2.700) 2.975 3.482 ( -0.501 0.262 2.054) 2.131 3.535 ( 0.917 2.975 -0.707) 3.192 3.600 ( -0.600 0.127 1.179) 1.329 3.708 ( 3.218 -2.817 -2.929) 5.184 3.902 ( -5.204 -9.866 -5.450) 12.414 9.076 ( 2.022 -0.461 0.645) 2.172 9.129 ( 0.638 -0.872 -0.516) 1.198 9.192 ( 2.243 -3.134 1.453) 4.119 9.261 ( 0.499 -2.586 -0.756) 2.740 9.295 ( 1.061 3.695 0.581) 3.888 9.322 ( 0.960 4.658 -0.195) 4.759 9.396 ( -1.953 2.957 -0.511) 3.580 9.421 ( -3.110 2.208 0.009) 3.814 11.202 ( 1.555 0.288 -0.560) 1.677 11.223 ( 0.734 -0.472 -0.422) 0.969 11.292 ( 0.076 0.167 2.716) 2.722 11.415 ( -3.618 0.873 -0.426) 3.746 11.420 ( -2.787 0.612 -0.134) 2.856 11.445 ( -4.277 0.135 0.254) 4.287 11.529 ( -1.924 1.848 0.198) 2.675 11.546 ( -2.139 1.672 -0.209) 2.723 11.955 ( 3.456 0.355 0.707) 3.545 11.960 ( 2.630 -0.727 0.873) 2.865 12.058 ( 1.079 -2.581 -1.500) 3.174 12.092 ( 1.478 -2.066 -2.486) 3.554 24.201 ( 0.044 -0.012 -0.045) 0.064 24.205 ( -0.170 0.078 0.082) 0.204 24.218 ( 0.128 -0.358 -0.038) 0.383 24.226 ( -0.137 -0.307 0.107) 0.352 24.674 ( 1.100 0.333 2.093) 2.388 24.722 ( -1.009 -0.448 1.848) 2.153 24.802 ( -0.225 -2.444 -0.317) 2.474 24.812 ( -0.868 -3.030 -0.008) 3.152 25.033 ( 1.564 4.795 0.134) 5.045 25.122 ( 0.697 5.820 -3.108) 6.634 25.254 ( 1.018 6.017 3.206) 6.894 25.504 ( -4.432 6.076 -4.823) 8.935 25.667 ( 2.376 -5.147 1.608) 5.893 25.762 ( -2.488 -1.824 3.983) 5.038 25.921 ( 6.992 -3.710 -1.271) 8.017 26.103 ( -0.719 -5.045 -3.429) 6.142 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -1.614 11.505 1.843) 11.762 1.175 ( 1.614 11.505 1.843) 11.762 1.215 ( -8.297 7.915 0.217) 11.469 1.215 ( 8.297 7.915 0.217) 11.469 1.365 ( -2.752 3.273 0.027) 4.277 1.365 ( 2.752 3.273 0.027) 4.277 1.557 ( -1.717 3.726 -1.708) 4.444 1.557 ( 1.717 3.726 -1.708) 4.444 1.664 ( -2.614 6.393 -2.392) 7.309 1.664 ( 2.614 6.393 -2.392) 7.309 1.752 ( -2.302 1.078 -0.002) 2.542 1.752 ( 2.302 1.078 -0.002) 2.542 1.893 ( -2.888 2.552 4.680) 6.063 1.893 ( 2.888 2.552 4.680) 6.063 1.957 ( -3.533 0.936 1.687) 4.025 1.957 ( 3.533 0.936 1.687) 4.025 2.045 ( -3.305 -1.173 -0.857) 3.610 2.045 ( 3.305 -1.173 -0.857) 3.610 2.133 ( -0.481 -1.961 -0.866) 2.197 2.133 ( 0.481 -1.961 -0.866) 2.197 2.214 ( -2.476 1.074 -2.862) 3.934 2.214 ( 2.476 1.074 -2.862) 3.934 2.339 ( -4.010 3.847 0.221) 5.561 2.339 ( 4.010 3.847 0.221) 5.561 2.428 ( -3.376 -1.776 2.230) 4.419 2.428 ( 3.376 -1.776 2.230) 4.419 2.545 ( -3.838 -0.765 -0.387) 3.932 2.545 ( 3.838 -0.765 -0.387) 3.932 2.572 ( -1.554 3.187 -1.257) 3.761 2.572 ( 1.554 3.187 -1.257) 3.761 2.668 ( -2.257 0.834 -0.333) 2.429 2.668 ( 2.257 0.834 -0.333) 2.429 2.814 ( -5.209 1.629 1.710) 5.719 2.814 ( 5.209 1.629 1.710) 5.719 2.869 ( -2.672 0.133 3.468) 4.380 2.869 ( 2.672 0.133 3.468) 4.380 2.965 ( -2.279 -3.507 -0.341) 4.196 2.965 ( 2.279 -3.507 -0.341) 4.196 3.158 ( -3.037 0.659 -2.827) 4.201 3.158 ( 3.037 0.659 -2.827) 4.201 3.305 ( -0.474 1.845 1.665) 2.529 3.305 ( 0.474 1.845 1.665) 2.529 3.447 ( -2.157 1.942 1.256) 3.163 3.447 ( 2.157 1.942 1.256) 3.163 3.571 ( -1.975 0.715 0.813) 2.252 3.571 ( 1.975 0.715 0.813) 2.252 3.788 ( -4.870 -6.690 -4.483) 9.411 3.788 ( 4.870 -6.690 -4.483) 9.411 9.117 ( -1.596 -0.461 0.690) 1.799 9.117 ( 1.596 -0.461 0.690) 1.799 9.241 ( -1.993 -3.040 -0.176) 3.639 9.241 ( 1.993 -3.040 -0.176) 3.639 9.337 ( -2.699 3.416 0.213) 4.359 9.337 ( 2.699 3.416 0.213) 4.359 9.365 ( -2.341 3.574 -0.210) 4.278 9.365 ( 2.341 3.574 -0.210) 4.278 11.224 ( -0.510 -0.135 0.086) 0.535 11.224 ( 0.510 -0.135 0.086) 0.535 11.335 ( -3.281 -0.644 0.233) 3.352 11.335 ( 3.281 -0.644 0.233) 3.352 11.397 ( -0.333 1.242 0.284) 1.317 11.397 ( 0.333 1.242 0.284) 1.317 11.514 ( -0.627 1.257 0.007) 1.405 11.514 ( 0.627 1.257 0.007) 1.405 11.989 ( -0.320 -0.718 0.586) 0.981 11.989 ( 0.320 -0.718 0.586) 0.981 12.088 ( -1.421 -1.337 -1.881) 2.710 12.088 ( 1.421 -1.337 -1.881) 2.710 24.203 ( -0.070 0.005 -0.034) 0.078 24.203 ( 0.070 0.005 -0.034) 0.078 24.222 ( -0.233 -0.374 -0.037) 0.442 24.222 ( 0.233 -0.374 -0.037) 0.442 24.699 ( -1.209 0.085 2.079) 2.406 24.699 ( 1.209 0.085 2.079) 2.406 24.800 ( -0.209 -2.747 0.055) 2.755 24.800 ( 0.209 -2.747 0.055) 2.755 25.081 ( -2.892 6.048 -0.118) 6.705 25.081 ( 2.892 6.048 -0.118) 6.705 25.364 ( -7.495 5.505 -2.590) 9.654 25.364 ( 7.495 5.505 -2.590) 9.654 25.719 ( -2.217 -3.186 2.900) 4.845 25.719 ( 2.217 -3.186 2.900) 4.845 26.047 ( -4.638 -4.766 -2.158) 6.992 26.047 ( 4.638 -4.766 -2.158) 6.992 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 3.666 2.105) 4.228 0.951 ( 0.000 1.610 -0.097) 1.613 0.989 ( 0.000 9.506 10.626) 14.258 1.210 ( 0.000 -5.780 1.296) 5.924 1.339 ( 0.000 13.037 -2.961) 13.369 1.360 ( 0.000 9.649 -3.759) 10.356 1.457 ( 0.000 1.448 -3.362) 3.660 1.532 ( 0.000 6.192 -4.533) 7.673 1.631 ( 0.000 3.218 0.614) 3.277 1.674 ( 0.000 -5.581 -0.249) 5.586 1.765 ( 0.000 -5.144 -0.535) 5.171 1.811 ( 0.000 0.366 2.236) 2.266 1.854 ( 0.000 -1.860 2.617) 3.211 1.880 ( 0.000 -4.515 -1.389) 4.724 1.892 ( 0.000 -6.587 -2.405) 7.013 1.922 ( 0.000 2.891 -1.621) 3.314 1.944 ( 0.000 0.140 -1.146) 1.154 1.972 ( 0.000 -3.440 1.552) 3.774 2.056 ( 0.000 1.174 -5.511) 5.634 2.061 ( 0.000 9.540 0.580) 9.557 2.200 ( 0.000 0.647 -0.244) 0.691 2.204 ( 0.000 3.817 2.218) 4.414 2.274 ( 0.000 8.964 1.015) 9.022 2.314 ( 0.000 -3.682 -2.753) 4.597 2.347 ( 0.000 3.797 4.233) 5.686 2.384 ( 0.000 -1.227 5.787) 5.916 2.475 ( 0.000 2.209 -0.307) 2.230 2.584 ( 0.000 3.677 0.553) 3.718 2.708 ( 0.000 -3.325 3.413) 4.765 2.710 ( 0.000 -0.696 -1.553) 1.702 2.733 ( 0.000 -0.388 -3.927) 3.946 2.806 ( 0.000 -4.202 0.096) 4.203 2.859 ( 0.000 -0.231 -0.798) 0.831 2.910 ( 0.000 3.396 0.474) 3.429 2.930 ( 0.000 -3.632 0.197) 3.638 2.984 ( 0.000 5.835 -2.033) 6.179 3.019 ( 0.000 4.132 -3.246) 5.255 3.099 ( 0.000 -5.302 6.111) 8.091 3.129 ( 0.000 3.019 -0.590) 3.076 3.277 ( 0.000 1.144 0.855) 1.428 3.364 ( 0.000 -0.274 0.282) 0.393 3.396 ( 0.000 1.574 -1.438) 2.132 3.437 ( 0.000 1.725 1.146) 2.071 3.461 ( 0.000 2.003 2.257) 3.017 3.563 ( 0.000 0.429 -2.734) 2.767 3.580 ( 0.000 -1.412 -0.535) 1.510 3.641 ( 0.000 0.847 -0.412) 0.942 3.748 ( 0.000 -10.276 -0.893) 10.314 9.021 ( 0.000 0.062 0.350) 0.356 9.050 ( 0.000 -1.371 0.015) 1.371 9.125 ( 0.000 -0.509 -0.336) 0.610 9.165 ( 0.000 -2.335 -0.990) 2.536 9.347 ( 0.000 3.774 0.977) 3.898 9.411 ( 0.000 2.346 -0.432) 2.386 9.444 ( 0.000 2.299 1.224) 2.605 9.530 ( 0.000 0.015 -0.650) 0.650 11.166 ( 0.000 0.347 -0.517) 0.622 11.174 ( 0.000 0.683 -1.431) 1.585 11.410 ( 0.000 0.843 2.499) 2.637 11.522 ( 0.000 -3.769 -1.005) 3.901 11.588 ( 0.000 3.422 0.680) 3.489 11.624 ( 0.000 3.653 -0.194) 3.658 11.724 ( 0.000 1.531 -0.218) 1.547 11.727 ( 0.000 -1.080 -0.419) 1.158 11.764 ( 0.000 2.182 1.077) 2.433 11.805 ( 0.000 0.651 1.310) 1.463 11.886 ( 0.000 -2.410 -0.752) 2.525 11.943 ( 0.000 -4.868 -1.012) 4.972 24.202 ( 0.000 0.112 0.013) 0.113 24.208 ( 0.000 -0.200 -0.187) 0.274 24.221 ( 0.000 0.108 0.485) 0.497 24.225 ( 0.000 0.048 0.349) 0.352 24.664 ( 0.000 1.130 0.779) 1.372 24.732 ( 0.000 -0.163 1.105) 1.117 24.750 ( 0.000 -2.591 -1.531) 3.010 24.780 ( 0.000 -2.716 0.004) 2.716 25.112 ( 0.000 3.281 0.095) 3.283 25.127 ( 0.000 3.134 -0.368) 3.156 25.373 ( 0.000 1.045 1.596) 1.908 25.443 ( 0.000 -2.096 0.214) 2.107 25.596 ( 0.000 -0.263 -0.611) 0.666 25.662 ( 0.000 -3.732 -2.019) 4.243 25.941 ( 0.000 3.348 1.363) 3.614 26.042 ( 0.000 -1.082 -1.581) 1.916 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 13.956 3.616 2.678) 14.664 0.992 ( 6.741 9.340 5.177) 12.628 1.181 ( 12.481 -1.098 1.384) 12.606 1.285 ( 6.557 -0.894 2.428) 7.049 1.364 ( 1.510 9.852 -4.310) 10.859 1.411 ( 3.302 9.253 -3.809) 10.538 1.474 ( 2.580 3.190 -2.030) 4.577 1.596 ( 5.036 5.465 -1.707) 7.625 1.649 ( 1.750 4.027 -1.348) 4.593 1.664 ( -0.889 -5.068 0.879) 5.220 1.800 ( 2.790 -2.749 -0.065) 3.918 1.826 ( -1.616 1.180 1.805) 2.695 1.861 ( 0.525 -1.918 0.057) 1.989 1.882 ( -0.181 -5.983 -3.656) 7.014 1.888 ( 2.528 -3.091 0.854) 4.083 1.919 ( -0.199 1.462 -1.874) 2.385 1.942 ( 0.390 1.598 -0.572) 1.742 2.010 ( 5.559 -3.322 1.709) 6.697 2.080 ( 1.694 2.533 -4.417) 5.366 2.131 ( 2.147 2.173 -1.994) 3.648 2.171 ( 0.872 4.939 2.209) 5.480 2.200 ( -0.514 2.659 1.181) 2.955 2.270 ( -2.198 -1.689 -0.104) 2.774 2.312 ( 2.069 4.807 0.341) 5.245 2.357 ( 1.142 3.526 2.156) 4.288 2.408 ( 1.860 -1.774 2.994) 3.946 2.462 ( -1.735 1.246 1.265) 2.482 2.575 ( -1.579 5.101 1.414) 5.523 2.649 ( -3.372 -3.560 0.980) 5.001 2.718 ( -0.626 0.730 0.470) 1.071 2.743 ( 0.743 -1.681 -1.788) 2.564 2.780 ( -2.288 -2.673 0.457) 3.548 2.808 ( -2.539 2.856 0.158) 3.825 2.871 ( -3.108 -0.652 -1.438) 3.486 2.927 ( 0.575 0.621 -1.134) 1.415 2.967 ( -1.631 1.593 -0.253) 2.294 3.022 ( -1.626 2.175 -2.682) 3.817 3.095 ( -0.158 -3.559 5.621) 6.654 3.107 ( -2.412 3.154 -0.329) 3.984 3.238 ( -2.467 0.264 -0.073) 2.482 3.357 ( 0.290 2.019 -0.482) 2.096 3.396 ( -2.543 2.667 -0.018) 3.685 3.421 ( -0.005 -0.277 0.979) 1.017 3.468 ( 0.641 1.188 2.827) 3.132 3.568 ( 0.387 -0.058 -1.756) 1.799 3.600 ( 1.277 -0.424 -1.138) 1.762 3.650 ( 0.650 0.249 -1.043) 1.254 3.749 ( -0.491 -10.074 -1.776) 10.241 9.035 ( 1.349 0.070 0.381) 1.404 9.067 ( 1.597 -1.466 -0.129) 2.172 9.134 ( 0.640 -0.505 0.186) 0.836 9.179 ( 1.158 -2.556 -0.908) 2.949 9.355 ( 0.791 3.842 0.896) 4.024 9.416 ( -0.087 3.687 -0.708) 3.756 9.441 ( 0.071 0.812 0.939) 1.243 9.507 ( -2.058 0.306 -0.455) 2.130 11.185 ( 1.596 0.450 -0.537) 1.743 11.189 ( 1.542 0.689 -1.269) 2.112 11.368 ( -3.666 1.274 2.704) 4.731 11.477 ( -3.956 -3.307 -0.762) 5.212 11.528 ( -4.016 2.933 0.585) 5.007 11.571 ( -4.401 2.840 -0.410) 5.253 11.629 ( -4.435 0.386 0.116) 4.454 11.637 ( -4.893 0.781 0.196) 4.959 11.865 ( 4.855 0.472 0.858) 4.953 11.890 ( 4.901 1.047 0.695) 5.060 11.963 ( 5.099 -2.740 -1.289) 5.931 11.966 ( 1.887 -3.614 -0.922) 4.180 24.202 ( 0.019 0.111 -0.011) 0.113 24.208 ( -0.004 -0.176 -0.197) 0.264 24.217 ( -0.286 0.163 0.440) 0.550 24.225 ( -0.074 -0.092 0.257) 0.283 24.670 ( 0.543 1.011 0.943) 1.486 24.729 ( -0.201 -0.074 0.776) 0.805 24.753 ( 0.019 -2.649 -0.732) 2.748 24.775 ( -0.314 -2.139 0.059) 2.162 25.102 ( -0.070 3.623 -0.103) 3.625 25.147 ( 1.853 2.281 -1.682) 3.386 25.377 ( -0.414 2.771 2.853) 3.999 25.498 ( 4.318 -2.734 1.777) 5.411 25.601 ( 0.143 0.281 -3.071) 3.088 25.703 ( 3.978 -3.961 -2.825) 6.284 25.893 ( -3.920 3.801 2.672) 6.079 26.032 ( -0.931 -2.581 -1.355) 3.060 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 13.168 4.641 2.520) 14.187 1.192 ( 11.332 9.335 3.655) 15.130 1.368 ( 4.003 -2.697 -0.084) 4.828 1.385 ( 2.344 8.253 -4.230) 9.566 1.442 ( 3.475 6.067 0.895) 7.049 1.451 ( 1.035 4.853 -1.766) 5.267 1.544 ( 2.901 3.157 -1.783) 4.643 1.647 ( 0.745 2.816 0.674) 2.990 1.674 ( 3.318 -2.970 1.655) 4.750 1.727 ( 2.731 3.277 -3.020) 5.227 1.758 ( -5.649 2.178 -0.273) 6.061 1.824 ( -0.250 -0.692 0.011) 0.736 1.857 ( 2.446 -0.387 -1.962) 3.160 1.900 ( 2.554 -4.589 -2.217) 5.701 1.913 ( -0.033 1.417 -1.109) 1.800 1.967 ( 2.510 0.033 -0.582) 2.576 2.017 ( 3.711 -1.368 -0.976) 4.074 2.091 ( -0.993 3.190 -2.979) 4.476 2.112 ( 1.682 1.841 0.781) 2.613 2.142 ( -2.045 1.835 0.134) 2.750 2.176 ( 5.760 -1.455 1.428) 6.110 2.243 ( 2.096 -0.718 0.089) 2.217 2.314 ( 3.945 0.476 -0.797) 4.053 2.321 ( 0.188 2.940 -0.399) 2.973 2.374 ( -3.140 -1.758 1.484) 3.892 2.413 ( 2.933 4.478 2.378) 5.857 2.484 ( 1.723 1.376 3.501) 4.138 2.518 ( 0.688 -1.401 2.077) 2.598 2.644 ( 1.400 -1.256 0.250) 1.897 2.684 ( -4.750 -1.236 1.348) 5.090 2.686 ( -2.933 1.235 1.850) 3.681 2.737 ( -1.732 0.275 -0.152) 1.761 2.803 ( 0.151 1.987 -1.204) 2.328 2.840 ( 1.101 0.143 -0.704) 1.315 2.914 ( -2.355 2.689 0.417) 3.598 2.945 ( -0.340 0.171 2.565) 2.594 2.959 ( -3.187 0.995 -1.716) 3.754 3.027 ( -5.065 3.583 0.214) 6.208 3.101 ( 1.430 -1.703 1.303) 2.577 3.201 ( -1.537 -1.304 -0.142) 2.020 3.342 ( -1.824 2.259 0.276) 2.917 3.353 ( -1.207 1.957 -1.064) 2.533 3.421 ( 0.543 -0.893 0.581) 1.196 3.475 ( -0.243 -0.543 2.215) 2.294 3.578 ( 0.602 0.901 -1.414) 1.781 3.614 ( -0.063 0.611 -0.557) 0.829 3.662 ( 0.393 -1.874 -1.996) 2.766 3.713 ( -2.635 -7.879 -2.639) 8.717 9.072 ( 2.082 0.138 0.440) 2.133 9.110 ( 2.139 -1.236 -0.580) 2.538 9.145 ( 0.405 -1.033 1.005) 1.497 9.197 ( 0.114 -2.965 -0.588) 3.025 9.376 ( 1.165 3.748 0.586) 3.969 9.410 ( 0.104 3.602 -0.271) 3.614 9.441 ( -0.846 1.171 -0.223) 1.462 9.458 ( -2.108 1.039 0.093) 2.352 11.220 ( 1.644 1.090 -0.439) 2.021 11.230 ( 1.767 0.926 -0.993) 2.228 11.300 ( -1.686 0.735 2.259) 2.913 11.385 ( -4.214 -2.421 -0.630) 4.901 11.458 ( -2.534 2.525 0.448) 3.605 11.477 ( -3.877 2.290 0.053) 4.503 11.548 ( -3.116 -0.111 0.160) 3.122 11.557 ( -2.859 -0.874 -0.025) 2.990 11.946 ( 2.881 0.720 0.579) 3.025 11.969 ( 2.164 0.333 0.452) 2.236 12.013 ( 2.673 -1.784 -0.844) 3.323 12.045 ( 2.331 -2.719 -1.345) 3.826 24.203 ( 0.056 0.121 -0.037) 0.138 24.207 ( -0.095 0.090 -0.066) 0.147 24.213 ( -0.057 -0.123 0.193) 0.235 24.221 ( -0.252 -0.248 0.083) 0.364 24.686 ( 0.970 0.804 1.235) 1.764 24.723 ( -0.465 0.340 0.961) 1.120 24.750 ( -0.117 -2.333 0.127) 2.339 24.766 ( -0.573 -1.646 0.205) 1.755 25.127 ( 2.527 4.392 -0.357) 5.079 25.209 ( 3.454 2.389 -3.669) 5.577 25.343 ( -1.902 3.036 2.808) 4.552 25.524 ( -3.727 -5.250 -2.097) 6.771 25.640 ( 4.289 3.961 -0.656) 5.875 25.768 ( -0.759 1.344 0.251) 1.564 25.853 ( 3.088 -1.834 2.040) 4.130 26.004 ( -1.930 -4.825 -1.047) 5.301 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -3.800 5.758 -0.648) 6.929 1.331 ( 3.800 5.758 -0.648) 6.929 1.393 ( -3.103 5.998 2.091) 7.070 1.393 ( 3.103 5.998 2.091) 7.070 1.454 ( -2.593 6.007 -0.218) 6.546 1.454 ( 2.593 6.007 -0.218) 6.546 1.607 ( -4.904 0.757 -0.556) 4.993 1.607 ( 4.904 0.757 -0.556) 4.993 1.712 ( -2.113 0.244 -0.717) 2.245 1.712 ( 2.113 0.244 -0.717) 2.245 1.777 ( -4.079 0.833 -2.737) 4.982 1.777 ( 4.079 0.833 -2.737) 4.982 1.908 ( -1.554 -2.303 -0.492) 2.821 1.908 ( 1.554 -2.303 -0.492) 2.821 1.977 ( -2.435 -1.886 -1.685) 3.511 1.977 ( 2.435 -1.886 -1.685) 3.511 2.054 ( -1.932 3.409 -2.236) 4.511 2.054 ( 1.932 3.409 -2.236) 4.511 2.116 ( -1.184 2.719 0.790) 3.069 2.116 ( 1.184 2.719 0.790) 3.069 2.261 ( -1.104 2.604 0.556) 2.882 2.261 ( 1.104 2.604 0.556) 2.882 2.334 ( -0.630 -2.535 -0.031) 2.612 2.334 ( 0.630 -2.535 -0.031) 2.612 2.411 ( -4.696 -0.652 2.188) 5.221 2.411 ( 4.696 -0.652 2.188) 5.221 2.527 ( -5.479 -1.537 1.860) 5.987 2.527 ( 5.479 -1.537 1.860) 5.987 2.633 ( -4.577 0.564 1.361) 4.808 2.633 ( 4.577 0.564 1.361) 4.808 2.689 ( -1.619 1.030 0.988) 2.158 2.689 ( 1.619 1.030 0.988) 2.158 2.836 ( -2.931 1.204 -0.297) 3.183 2.836 ( 2.931 1.204 -0.297) 3.183 2.915 ( -4.037 4.064 0.887) 5.797 2.915 ( 4.037 4.064 0.887) 5.797 2.931 ( -0.996 1.286 1.563) 2.256 2.931 ( 0.996 1.286 1.563) 2.256 3.157 ( -2.945 -2.087 -0.594) 3.658 3.157 ( 2.945 -2.087 -0.594) 3.658 3.326 ( -0.509 1.619 -0.901) 1.921 3.326 ( 0.509 1.619 -0.901) 1.921 3.452 ( -1.933 -1.665 1.075) 2.768 3.452 ( 1.933 -1.665 1.075) 2.768 3.596 ( -1.248 1.138 -0.931) 1.929 3.596 ( 1.248 1.138 -0.931) 1.929 3.672 ( -0.968 -4.189 -2.386) 4.917 3.672 ( 0.968 -4.189 -2.386) 4.917 9.114 ( -1.553 0.245 0.346) 1.610 9.114 ( 1.553 0.245 0.346) 1.610 9.175 ( -2.001 -2.919 -0.114) 3.541 9.175 ( 2.001 -2.919 -0.114) 3.541 9.405 ( -1.656 2.917 0.289) 3.367 9.405 ( 1.656 2.917 0.289) 3.367 9.428 ( -1.262 2.152 -0.188) 2.502 9.428 ( 1.262 2.152 -0.188) 2.502 11.242 ( -0.333 1.672 -0.075) 1.707 11.242 ( 0.333 1.672 -0.075) 1.707 11.316 ( -2.432 -1.345 0.061) 2.780 11.316 ( 2.432 -1.345 0.061) 2.780 11.431 ( -0.313 2.153 0.323) 2.200 11.431 ( 0.313 2.153 0.323) 2.200 11.519 ( -0.436 -0.953 0.077) 1.051 11.519 ( 0.436 -0.953 0.077) 1.051 11.983 ( -0.649 0.537 0.326) 0.904 11.983 ( 0.649 0.537 0.326) 0.904 12.057 ( -1.033 -1.945 -0.982) 2.411 12.057 ( 1.033 -1.945 -0.982) 2.411 24.205 ( -0.114 0.182 0.019) 0.216 24.205 ( 0.114 0.182 0.019) 0.216 24.215 ( -0.260 -0.312 -0.005) 0.406 24.215 ( 0.260 -0.312 -0.005) 0.406 24.707 ( -0.981 0.654 1.302) 1.757 24.707 ( 0.981 0.654 1.302) 1.757 24.754 ( -0.487 -1.836 0.334) 1.928 24.754 ( 0.487 -1.836 0.334) 1.928 25.198 ( -3.731 5.572 -0.783) 6.752 25.198 ( 3.731 5.572 -0.783) 6.752 25.400 ( -6.568 -2.444 -2.745) 7.527 25.400 ( 6.568 -2.444 -2.745) 7.527 25.721 ( -3.058 3.803 2.693) 5.574 25.721 ( 3.058 3.803 2.693) 5.574 25.944 ( -3.971 -5.363 -0.791) 6.720 25.944 ( 3.971 -5.363 -0.791) 6.720 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.000 -10.303 -5.424) 11.644 0.808 ( 0.000 10.303 -5.424) 11.644 1.151 ( 0.000 -4.862 10.166) 11.269 1.151 ( 0.000 4.862 10.166) 11.269 1.487 ( 0.000 -0.336 -3.320) 3.337 1.487 ( 0.000 0.336 -3.320) 3.337 1.534 ( 0.000 -5.961 -1.760) 6.215 1.534 ( 0.000 5.961 -1.760) 6.215 1.667 ( 0.000 -3.683 -1.662) 4.041 1.667 ( 0.000 3.683 -1.662) 4.041 1.704 ( 0.000 -7.388 -3.766) 8.292 1.704 ( 0.000 7.388 -3.766) 8.292 1.833 ( 0.000 -2.443 1.541) 2.888 1.833 ( 0.000 2.443 1.541) 2.888 1.849 ( 0.000 -2.988 2.114) 3.660 1.849 ( 0.000 2.988 2.114) 3.660 1.990 ( 0.000 -1.067 -1.842) 2.129 1.990 ( 0.000 1.067 -1.842) 2.129 2.124 ( 0.000 -3.104 -5.671) 6.465 2.124 ( 0.000 3.104 -5.671) 6.465 2.169 ( 0.000 -1.076 0.445) 1.164 2.169 ( 0.000 1.076 0.445) 1.164 2.317 ( 0.000 -0.136 1.322) 1.329 2.317 ( 0.000 0.136 1.322) 1.329 2.461 ( 0.000 -4.104 1.832) 4.494 2.461 ( 0.000 4.104 1.832) 4.494 2.552 ( 0.000 -10.149 2.398) 10.429 2.552 ( 0.000 10.149 2.398) 10.429 2.661 ( 0.000 -3.310 4.742) 5.783 2.661 ( 0.000 3.310 4.742) 5.783 2.736 ( 0.000 -1.426 -0.453) 1.496 2.736 ( 0.000 1.426 -0.453) 1.496 2.869 ( 0.000 -1.706 -1.410) 2.213 2.869 ( 0.000 1.706 -1.410) 2.213 2.979 ( 0.000 -3.417 4.287) 5.483 2.979 ( 0.000 3.417 4.287) 5.483 3.073 ( 0.000 -0.891 -3.426) 3.540 3.073 ( 0.000 0.891 -3.426) 3.540 3.254 ( 0.000 -5.511 -2.385) 6.005 3.254 ( 0.000 5.511 -2.385) 6.005 3.392 ( 0.000 -3.076 -1.777) 3.552 3.392 ( 0.000 3.076 -1.777) 3.552 3.468 ( 0.000 -1.734 0.082) 1.736 3.468 ( 0.000 1.734 0.082) 1.736 3.536 ( 0.000 -1.613 0.725) 1.768 3.536 ( 0.000 1.613 0.725) 1.768 3.651 ( 0.000 -0.493 0.766) 0.911 3.651 ( 0.000 0.493 0.766) 0.911 9.029 ( 0.000 -0.732 0.398) 0.833 9.029 ( 0.000 0.732 0.398) 0.833 9.130 ( 0.000 -1.012 -0.851) 1.322 9.130 ( 0.000 1.012 -0.851) 1.322 9.406 ( 0.000 -1.917 1.035) 2.178 9.406 ( 0.000 1.917 1.035) 2.178 9.505 ( 0.000 -2.473 -0.476) 2.518 9.505 ( 0.000 2.473 -0.476) 2.518 11.176 ( 0.000 -0.389 -0.541) 0.666 11.176 ( 0.000 0.389 -0.541) 0.666 11.449 ( 0.000 -3.008 0.140) 3.011 11.449 ( 0.000 3.008 0.140) 3.011 11.659 ( 0.000 -2.884 0.314) 2.901 11.659 ( 0.000 2.884 0.314) 2.901 11.705 ( 0.000 -2.126 0.740) 2.251 11.705 ( 0.000 2.126 0.740) 2.251 11.826 ( 0.000 -3.325 -0.239) 3.334 11.826 ( 0.000 3.325 -0.239) 3.334 11.856 ( 0.000 -3.598 -0.417) 3.622 11.856 ( 0.000 3.598 -0.417) 3.622 24.204 ( 0.000 -0.139 -0.043) 0.146 24.204 ( 0.000 0.139 -0.043) 0.146 24.224 ( 0.000 -0.132 0.300) 0.328 24.224 ( 0.000 0.132 0.300) 0.328 24.698 ( 0.000 -2.259 -0.436) 2.300 24.698 ( 0.000 2.259 -0.436) 2.300 24.742 ( 0.000 -1.138 0.471) 1.232 24.742 ( 0.000 1.138 0.471) 1.232 25.154 ( 0.000 -0.529 -0.177) 0.558 25.154 ( 0.000 0.529 -0.177) 0.558 25.402 ( 0.000 -1.782 1.265) 2.185 25.402 ( 0.000 1.782 1.265) 2.185 25.607 ( 0.000 -1.577 -1.551) 2.212 25.607 ( 0.000 1.577 -1.551) 2.212 26.004 ( 0.000 -2.647 0.100) 2.648 26.004 ( 0.000 2.647 0.100) 2.648 ======================= Grid point 93 (38/60) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 12.231 -8.495 -3.854) 15.382 0.954 ( 12.231 8.495 -3.854) 15.382 1.244 ( 7.854 -6.563 8.264) 13.155 1.244 ( 7.854 6.563 8.264) 13.155 1.505 ( 0.609 -2.649 -3.725) 4.612 1.505 ( 0.609 2.649 -3.725) 4.612 1.569 ( 2.584 -3.504 -0.727) 4.414 1.569 ( 2.584 3.504 -0.727) 4.414 1.698 ( 2.245 -2.959 -2.448) 4.448 1.698 ( 2.245 2.959 -2.448) 4.448 1.732 ( 3.040 -3.273 -3.432) 5.633 1.732 ( 3.040 3.273 -3.432) 5.633 1.826 ( 0.553 -1.547 0.914) 1.880 1.826 ( 0.553 1.547 0.914) 1.880 1.898 ( 3.143 -2.674 3.230) 5.241 1.898 ( 3.143 2.674 3.230) 5.241 1.993 ( 1.316 -1.154 -2.292) 2.884 1.993 ( 1.316 1.154 -2.292) 2.884 2.134 ( 0.230 -1.308 -4.398) 4.594 2.134 ( 0.230 1.308 -4.398) 4.594 2.177 ( 0.797 -2.124 0.360) 2.298 2.177 ( 0.797 2.124 0.360) 2.298 2.301 ( -0.473 -1.354 0.418) 1.494 2.301 ( -0.473 1.354 0.418) 1.494 2.460 ( -0.932 -2.569 0.665) 2.813 2.460 ( -0.932 2.569 0.665) 2.813 2.526 ( -1.744 -8.025 3.940) 9.109 2.526 ( -1.744 8.025 3.940) 9.109 2.668 ( 0.493 -4.594 3.032) 5.526 2.668 ( 0.493 4.594 3.032) 5.526 2.736 ( -0.439 -1.411 1.945) 2.443 2.736 ( -0.439 1.411 1.945) 2.443 2.839 ( -2.009 -1.241 -2.123) 3.175 2.839 ( -2.009 1.241 -2.123) 3.175 2.961 ( -1.395 -2.595 1.328) 3.232 2.961 ( -1.395 2.595 1.328) 3.232 3.060 ( -1.070 -0.638 -1.333) 1.825 3.060 ( -1.070 0.638 -1.333) 1.825 3.205 ( -3.393 -4.439 -0.417) 5.603 3.205 ( -3.393 4.439 -0.417) 5.603 3.412 ( -0.252 -1.695 -1.854) 2.524 3.412 ( -0.252 1.695 -1.854) 2.524 3.454 ( -0.652 -4.119 0.144) 4.173 3.454 ( -0.652 4.119 0.144) 4.173 3.552 ( 1.519 -1.885 0.232) 2.431 3.552 ( 1.519 1.885 0.232) 2.431 3.654 ( -0.001 -0.518 -0.058) 0.521 3.654 ( -0.001 0.518 -0.058) 0.521 9.044 ( 1.421 -0.788 0.344) 1.661 9.044 ( 1.421 0.788 0.344) 1.661 9.140 ( 0.804 -1.177 -0.602) 1.548 9.140 ( 0.804 1.177 -0.602) 1.548 9.417 ( 0.889 -2.049 0.787) 2.368 9.417 ( 0.889 2.049 0.787) 2.368 9.489 ( -1.389 -2.148 -0.394) 2.588 9.489 ( -1.389 2.148 -0.394) 2.588 11.194 ( 1.635 -0.283 -0.501) 1.733 11.194 ( 1.635 0.283 -0.501) 1.733 11.410 ( -3.452 -2.919 0.324) 4.532 11.410 ( -3.452 2.919 0.324) 4.532 11.589 ( -4.327 -2.478 0.243) 4.992 11.589 ( -4.327 2.478 0.243) 4.992 11.630 ( -5.343 -1.390 0.309) 5.529 11.630 ( -5.343 1.390 0.309) 5.529 11.901 ( 4.739 -2.732 -0.356) 5.482 11.901 ( 4.739 2.732 -0.356) 5.482 11.915 ( 3.983 -1.696 -0.044) 4.330 11.915 ( 3.983 1.696 -0.044) 4.330 24.205 ( 0.017 -0.138 -0.059) 0.151 24.205 ( 0.017 0.138 -0.059) 0.151 24.222 ( -0.223 -0.220 0.245) 0.398 24.222 ( -0.223 0.220 0.245) 0.398 24.700 ( 0.205 -2.003 -0.113) 2.016 24.700 ( 0.205 2.003 -0.113) 2.016 24.743 ( 0.070 -1.055 0.487) 1.164 24.743 ( 0.070 1.055 0.487) 1.164 25.156 ( 0.721 -1.349 -0.912) 1.781 25.156 ( 0.721 1.349 -0.912) 1.781 25.433 ( 1.637 -3.056 2.532) 4.293 25.433 ( 1.637 3.056 2.532) 4.293 25.635 ( 2.880 -2.671 -3.007) 4.947 25.635 ( 2.880 2.671 -3.007) 4.947 25.971 ( -2.849 -3.546 0.776) 4.614 25.971 ( -2.849 3.546 0.776) 4.614 ======================= Grid point 95 (39/60) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 12.357 -5.324 -0.928) 13.487 1.228 ( 12.357 5.324 -0.928) 13.487 1.418 ( 6.967 -7.316 3.683) 10.753 1.418 ( 6.967 7.316 3.683) 10.753 1.512 ( 0.649 -1.549 -1.688) 2.381 1.512 ( 0.649 1.549 -1.688) 2.381 1.591 ( -0.078 -1.808 -0.317) 1.838 1.591 ( -0.078 1.808 -0.317) 1.838 1.716 ( -0.196 -4.342 -3.291) 5.452 1.716 ( -0.196 4.342 -3.291) 5.452 1.811 ( 1.231 -3.033 -4.549) 5.604 1.811 ( 1.231 3.033 -4.549) 5.604 1.848 ( 1.964 -2.550 1.219) 3.442 1.848 ( 1.964 2.550 1.219) 3.442 1.931 ( -0.003 -2.417 1.998) 3.135 1.931 ( -0.003 2.417 1.998) 3.135 2.070 ( 3.737 -3.480 -4.163) 6.588 2.070 ( 3.737 3.480 -4.163) 6.588 2.147 ( 1.736 -1.148 -1.588) 2.618 2.147 ( 1.736 1.148 -1.588) 2.618 2.202 ( 2.713 -5.106 1.265) 5.918 2.202 ( 2.713 5.106 1.265) 5.918 2.318 ( 1.355 -2.955 -0.343) 3.269 2.318 ( 1.355 2.955 -0.343) 3.269 2.427 ( -1.486 -2.456 1.036) 3.052 2.427 ( -1.486 2.456 1.036) 3.052 2.492 ( -1.338 -2.004 4.911) 5.470 2.492 ( -1.338 2.004 4.911) 5.470 2.657 ( -1.489 -1.444 2.790) 3.476 2.657 ( -1.489 1.444 2.790) 3.476 2.721 ( -1.807 -1.991 1.477) 3.068 2.721 ( -1.807 1.991 1.477) 3.068 2.821 ( 1.534 -1.660 -0.817) 2.404 2.821 ( 1.534 1.660 -0.817) 2.404 2.945 ( -0.304 -0.759 -2.499) 2.630 2.945 ( -0.304 0.759 -2.499) 2.630 3.037 ( -0.717 -3.989 1.836) 4.450 3.037 ( -0.717 3.989 1.836) 4.450 3.130 ( -3.736 -5.382 1.021) 6.631 3.130 ( -3.736 5.382 1.021) 6.631 3.385 ( -1.193 -2.294 -0.746) 2.691 3.385 ( -1.193 2.294 -0.746) 2.691 3.432 ( -1.908 -4.213 -0.622) 4.666 3.432 ( -1.908 4.213 -0.622) 4.666 3.588 ( 1.654 -1.680 -0.709) 2.461 3.588 ( 1.654 1.680 -0.709) 2.461 3.645 ( -0.894 -1.134 -1.027) 1.772 3.645 ( -0.894 1.134 -1.027) 1.772 9.084 ( 2.296 -1.030 0.210) 2.525 9.084 ( 2.296 1.030 0.210) 2.525 9.152 ( -0.069 -1.430 -0.170) 1.442 9.152 ( -0.069 1.430 -0.170) 1.442 9.434 ( 0.618 -1.764 0.331) 1.898 9.434 ( 0.618 1.764 0.331) 1.898 9.459 ( -1.201 -1.108 -0.127) 1.639 9.459 ( -1.201 1.108 -0.127) 1.639 11.237 ( 2.288 -0.435 -0.397) 2.363 11.237 ( 2.288 0.435 -0.397) 2.363 11.333 ( -3.298 -2.434 0.339) 4.113 11.333 ( -3.298 2.434 0.339) 4.113 11.514 ( -2.821 -2.393 0.151) 3.702 11.514 ( -2.821 2.393 0.151) 3.702 11.525 ( -4.083 -1.618 0.192) 4.396 11.525 ( -4.083 1.618 0.192) 4.396 11.981 ( 2.753 -0.976 -0.293) 2.935 11.981 ( 2.753 0.976 -0.293) 2.935 11.987 ( 2.577 -1.837 -0.113) 3.167 11.987 ( 2.577 1.837 -0.113) 3.167 24.206 ( 0.105 -0.151 -0.060) 0.194 24.206 ( 0.105 0.151 -0.060) 0.194 24.216 ( -0.324 -0.289 0.121) 0.450 24.216 ( -0.324 0.289 0.121) 0.450 24.708 ( 0.631 -1.438 0.451) 1.634 24.708 ( 0.631 1.438 0.451) 1.634 24.740 ( -0.476 -0.977 0.667) 1.275 24.740 ( -0.476 0.977 0.667) 1.275 25.203 ( 3.937 -2.695 -1.707) 5.067 25.203 ( 3.937 2.695 -1.707) 5.067 25.416 ( -3.537 -4.685 0.602) 5.901 25.416 ( -3.537 4.685 0.602) 5.901 25.727 ( 5.335 -4.134 -1.833) 6.994 25.727 ( 5.335 4.134 -1.833) 6.994 25.905 ( -3.281 -4.879 1.748) 6.134 25.905 ( -3.281 4.879 1.748) 6.134 ======================= Grid point 97 (40/60) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -5.510 -2.354 0.993) 6.074 1.420 ( -3.665 1.145 0.993) 3.966 1.420 ( 3.665 -1.145 0.993) 3.966 1.420 ( 5.510 2.354 0.993) 6.074 1.571 ( -1.488 -4.188 -0.997) 4.555 1.571 ( 0.175 -4.122 -0.997) 4.244 1.571 ( -0.175 4.122 -0.997) 4.244 1.571 ( 1.488 4.188 -0.997) 4.555 1.749 ( -3.825 -5.132 -1.888) 6.673 1.749 ( 2.687 -4.948 -1.888) 5.939 1.749 ( -2.687 4.949 -1.888) 5.939 1.749 ( 3.825 5.132 -1.888) 6.673 1.908 ( -2.239 -4.076 -0.871) 4.731 1.908 ( 2.047 -4.050 -0.871) 4.621 1.908 ( -2.047 4.050 -0.871) 4.621 1.908 ( 2.239 4.076 -0.871) 4.731 2.128 ( -1.696 -3.353 -3.574) 5.186 2.128 ( -0.309 -3.248 -3.574) 4.839 2.128 ( 0.309 3.248 -3.574) 4.839 2.128 ( 1.696 3.353 -3.574) 5.186 2.303 ( -3.521 -3.836 1.261) 5.358 2.303 ( 1.757 -3.520 1.261) 4.131 2.303 ( -1.757 3.520 1.261) 4.131 2.303 ( 3.521 3.836 1.261) 5.358 2.446 ( -3.098 -5.710 3.537) 7.397 2.446 ( 3.094 -5.710 3.537) 7.395 2.446 ( -3.094 5.710 3.537) 7.395 2.446 ( 3.098 5.710 3.537) 7.397 2.661 ( -2.335 -2.625 2.398) 4.253 2.661 ( 1.754 -2.509 2.398) 3.889 2.661 ( -1.754 2.509 2.398) 3.889 2.661 ( 2.335 2.625 2.398) 4.253 2.898 ( -3.496 -3.255 -1.351) 4.964 2.898 ( -0.209 -2.747 -1.351) 3.069 2.898 ( 0.209 2.747 -1.351) 3.069 2.898 ( 3.496 3.255 -1.351) 4.964 3.059 ( -2.695 -6.928 1.428) 7.570 3.059 ( 2.618 -6.921 1.428) 7.536 3.059 ( -2.618 6.921 1.428) 7.536 3.059 ( 2.695 6.928 1.428) 7.570 3.388 ( -1.577 -3.903 -0.841) 4.293 3.388 ( 1.542 -3.900 -0.841) 4.277 3.388 ( -1.542 3.900 -0.841) 4.277 3.388 ( 1.577 3.903 -0.841) 4.293 3.619 ( -1.427 -1.519 -1.120) 2.366 3.619 ( 1.417 -1.517 -1.120) 2.359 3.619 ( -1.417 1.517 -1.120) 2.359 3.619 ( 1.427 1.519 -1.120) 2.366 9.130 ( -1.814 -1.476 0.062) 2.339 9.130 ( 1.013 -1.270 0.062) 1.625 9.130 ( -1.013 1.270 0.062) 1.625 9.130 ( 1.814 1.476 0.062) 2.339 9.443 ( -0.337 -0.660 0.101) 0.748 9.443 ( 0.201 -0.646 0.101) 0.684 9.443 ( -0.201 0.646 0.101) 0.684 9.443 ( 0.337 0.660 0.101) 0.748 11.281 ( -1.639 -1.910 -0.097) 2.519 11.281 ( 0.381 -1.736 -0.097) 1.780 11.281 ( -0.381 1.736 -0.097) 1.780 11.281 ( 1.639 1.910 -0.097) 2.519 11.481 ( -0.014 -2.488 0.216) 2.498 11.481 ( 0.014 -2.488 0.216) 2.498 11.481 ( -0.014 2.488 0.216) 2.498 11.481 ( 0.014 2.488 0.216) 2.498 12.013 ( -0.145 -2.166 -0.216) 2.181 12.013 ( 0.136 -2.166 -0.216) 2.181 12.013 ( -0.136 2.166 -0.216) 2.181 12.013 ( 0.145 2.166 -0.216) 2.181 24.209 ( -0.229 -0.275 0.004) 0.358 24.209 ( 0.147 -0.261 0.004) 0.300 24.209 ( -0.147 0.261 0.004) 0.300 24.209 ( 0.229 0.275 0.004) 0.358 24.725 ( -0.844 -1.103 0.753) 1.580 24.725 ( 0.730 -1.082 0.753) 1.507 24.725 ( -0.730 1.082 0.753) 1.507 24.725 ( 0.844 1.103 0.753) 1.580 25.310 ( -5.273 -5.240 -1.532) 7.590 25.310 ( 2.026 -4.640 -1.532) 5.289 25.310 ( -2.026 4.640 -1.532) 5.289 25.310 ( 5.273 5.240 -1.532) 7.590 25.829 ( -3.799 -5.818 0.779) 6.992 25.829 ( 2.627 -5.654 0.779) 6.283 25.829 ( -2.627 5.654 0.779) 6.283 25.829 ( 3.799 5.818 0.779) 6.992 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.184 ( 0.000 0.000 1.658) 1.658 0.215 ( 0.000 0.000 -2.202) 2.202 0.653 ( 0.000 0.000 14.827) 14.827 0.864 ( 0.000 0.000 -6.212) 6.212 1.161 ( 0.000 0.000 22.023) 22.023 1.279 ( 0.000 0.000 2.808) 2.808 1.328 ( 0.000 0.000 -1.941) 1.941 1.391 ( 0.000 0.000 8.376) 8.376 1.430 ( 0.000 0.000 -8.500) 8.500 1.618 ( 0.000 0.000 3.734) 3.734 1.630 ( 0.000 0.000 -12.433) 12.433 1.666 ( 0.000 0.000 5.848) 5.848 1.750 ( 0.000 0.000 -0.905) 0.905 1.795 ( 0.000 0.000 4.651) 4.651 1.836 ( 0.000 0.000 -0.121) 0.121 1.914 ( 0.000 0.000 -10.844) 10.844 1.933 ( 0.000 0.000 3.591) 3.591 2.002 ( 0.000 0.000 -3.939) 3.939 2.039 ( 0.000 0.000 3.449) 3.449 2.094 ( 0.000 0.000 5.172) 5.172 2.108 ( 0.000 0.000 -4.227) 4.227 2.168 ( 0.000 0.000 -1.254) 1.254 2.188 ( 0.000 0.000 -4.647) 4.647 2.214 ( 0.000 0.000 -6.908) 6.908 2.233 ( 0.000 0.000 4.886) 4.886 2.319 ( 0.000 0.000 -4.061) 4.061 2.541 ( 0.000 0.000 0.851) 0.851 2.558 ( 0.000 0.000 -1.076) 1.076 2.618 ( 0.000 0.000 1.077) 1.077 2.628 ( 0.000 0.000 0.704) 0.704 2.728 ( 0.000 0.000 2.389) 2.389 2.736 ( 0.000 0.000 -1.185) 1.185 2.737 ( 0.000 0.000 -0.163) 0.163 2.791 ( 0.000 0.000 -4.347) 4.347 2.967 ( 0.000 0.000 1.364) 1.364 2.990 ( 0.000 0.000 -1.180) 1.180 3.104 ( 0.000 0.000 1.595) 1.595 3.130 ( 0.000 0.000 -1.202) 1.202 3.198 ( 0.000 0.000 0.923) 0.923 3.215 ( 0.000 0.000 -0.935) 0.935 3.350 ( 0.000 0.000 2.061) 2.061 3.386 ( 0.000 0.000 -1.840) 1.840 3.421 ( 0.000 0.000 0.847) 0.847 3.426 ( 0.000 0.000 0.304) 0.304 3.477 ( 0.000 0.000 3.184) 3.184 3.541 ( 0.000 0.000 -3.285) 3.285 3.891 ( 0.000 0.000 11.981) 11.981 4.095 ( 0.000 0.000 -9.638) 9.638 9.093 ( 0.000 0.000 1.652) 1.652 9.126 ( 0.000 0.000 -1.867) 1.867 9.130 ( 0.000 0.000 0.078) 0.078 9.132 ( 0.000 0.000 -0.056) 0.056 9.320 ( 0.000 0.000 2.281) 2.281 9.334 ( 0.000 0.000 0.686) 0.686 9.347 ( 0.000 0.000 -0.688) 0.688 9.360 ( 0.000 0.000 -1.967) 1.967 11.303 ( 0.000 0.000 0.006) 0.006 11.303 ( 0.000 0.000 0.013) 0.013 11.382 ( 0.000 0.000 2.347) 2.347 11.427 ( 0.000 0.000 -2.426) 2.426 11.512 ( 0.000 0.000 0.431) 0.431 11.520 ( 0.000 0.000 -0.426) 0.426 11.541 ( 0.000 0.000 2.038) 2.038 11.580 ( 0.000 0.000 -2.015) 2.015 11.747 ( 0.000 0.000 0.314) 0.314 11.763 ( 0.000 0.000 -1.557) 1.557 12.049 ( 0.000 0.000 4.031) 4.031 12.114 ( 0.000 0.000 -2.906) 2.906 24.206 ( 0.000 0.000 -0.034) 0.034 24.207 ( 0.000 0.000 -0.184) 0.184 24.233 ( 0.000 0.000 0.044) 0.044 24.233 ( 0.000 0.000 0.015) 0.015 24.708 ( 0.000 0.000 4.260) 4.260 24.790 ( 0.000 0.000 -4.403) 4.403 24.883 ( 0.000 0.000 0.086) 0.086 24.885 ( 0.000 0.000 -0.107) 0.107 24.908 ( 0.000 0.000 0.312) 0.312 24.914 ( 0.000 0.000 -0.295) 0.295 25.377 ( 0.000 0.000 3.198) 3.198 25.439 ( 0.000 0.000 -3.485) 3.485 25.696 ( 0.000 0.000 3.349) 3.349 25.756 ( 0.000 0.000 -3.089) 3.089 25.906 ( 0.000 0.000 0.157) 0.157 25.907 ( 0.000 0.000 0.188) 0.188 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 17.117 0.000 3.981) 17.574 0.482 ( 17.524 0.000 -0.524) 17.531 0.752 ( 8.222 0.000 13.523) 15.826 0.958 ( 7.699 0.000 -7.360) 10.651 1.219 ( -4.324 0.000 1.349) 4.529 1.257 ( -5.654 0.000 -2.078) 6.024 1.311 ( 10.845 0.000 12.246) 16.358 1.408 ( 2.639 0.000 6.998) 7.480 1.474 ( 3.255 0.000 -1.487) 3.578 1.577 ( -4.218 0.000 3.404) 5.420 1.660 ( -4.208 0.000 -4.095) 5.872 1.690 ( 5.840 0.000 -9.148) 10.853 1.762 ( 0.924 0.000 6.206) 6.274 1.815 ( 4.844 0.000 6.814) 8.360 1.819 ( -1.207 0.000 0.058) 1.209 1.960 ( 0.832 0.000 4.625) 4.699 1.986 ( 5.425 0.000 -9.767) 11.173 2.033 ( 1.583 0.000 1.333) 2.069 2.046 ( -0.265 0.000 -2.150) 2.166 2.087 ( 0.339 0.000 -2.033) 2.061 2.142 ( 4.885 0.000 -0.380) 4.900 2.157 ( 1.852 0.000 0.135) 1.857 2.224 ( 1.482 0.000 -5.302) 5.505 2.233 ( 1.164 0.000 -5.536) 5.657 2.237 ( 0.471 0.000 4.976) 4.998 2.329 ( 0.670 0.000 -4.646) 4.694 2.532 ( -0.791 0.000 0.477) 0.923 2.540 ( -1.401 0.000 -0.513) 1.492 2.542 ( -2.512 0.000 3.143) 4.024 2.606 ( -2.259 0.000 -3.454) 4.128 2.736 ( 0.499 0.000 1.548) 1.626 2.773 ( 3.886 0.000 2.440) 4.588 2.786 ( -0.564 0.000 -3.662) 3.705 2.806 ( 2.609 0.000 -0.646) 2.687 2.926 ( -3.283 0.000 2.202) 3.953 2.957 ( -2.675 0.000 -1.159) 2.915 3.097 ( -0.484 0.000 1.979) 2.037 3.111 ( -6.393 0.000 4.392) 7.756 3.128 ( -0.266 0.000 -1.254) 1.282 3.197 ( -3.396 0.000 -4.443) 5.592 3.342 ( -4.355 0.000 3.969) 5.893 3.350 ( 0.085 0.000 1.656) 1.658 3.382 ( -0.424 0.000 -1.629) 1.684 3.401 ( -2.059 0.000 -1.844) 2.763 3.514 ( 2.994 0.000 4.582) 5.473 3.596 ( 4.259 0.000 -3.991) 5.837 3.870 ( -2.412 0.000 11.732) 11.978 4.085 ( -2.329 0.000 -11.454) 11.689 9.103 ( 0.922 0.000 1.897) 2.109 9.141 ( 1.166 0.000 -2.129) 2.428 9.144 ( 1.209 0.000 0.022) 1.210 9.144 ( 1.218 0.000 -0.003) 1.218 9.319 ( -1.373 0.000 0.650) 1.519 9.331 ( -1.441 0.000 -0.650) 1.581 9.332 ( 0.767 0.000 2.897) 2.997 9.380 ( 1.377 0.000 -2.236) 2.626 11.308 ( -4.898 0.000 2.770) 5.627 11.315 ( 1.066 0.000 0.028) 1.066 11.315 ( 1.103 0.000 -0.010) 1.103 11.356 ( -4.743 0.000 -2.373) 5.304 11.456 ( -3.752 0.000 4.823) 6.111 11.502 ( -0.882 0.000 0.396) 0.966 11.509 ( -0.948 0.000 -0.390) 1.025 11.539 ( -4.257 0.000 -4.097) 5.908 11.813 ( 5.038 0.000 2.298) 5.537 11.872 ( 5.519 0.000 -4.016) 6.825 12.074 ( 1.715 0.000 1.972) 2.613 12.120 ( 0.406 0.000 -2.519) 2.551 24.204 ( -0.110 0.000 0.042) 0.118 24.207 ( -0.065 0.000 -0.236) 0.245 24.229 ( -0.179 0.000 0.283) 0.335 24.235 ( -0.025 0.000 -0.309) 0.310 24.720 ( 1.178 0.000 4.337) 4.494 24.799 ( 0.862 0.000 -3.946) 4.040 24.885 ( 0.165 0.000 0.067) 0.178 24.887 ( 0.128 0.000 -0.081) 0.151 24.907 ( -0.105 0.000 0.283) 0.301 24.912 ( -0.153 0.000 -0.272) 0.312 25.231 ( -8.430 0.000 9.129) 12.426 25.367 ( -5.905 0.000 -5.977) 8.402 25.766 ( 3.635 0.000 3.529) 5.066 25.826 ( 5.387 0.000 -2.654) 6.005 25.916 ( 1.223 0.000 3.332) 3.549 26.015 ( 6.948 0.000 -7.481) 10.210 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 14.366 0.000 8.366) 16.624 0.835 ( 15.389 0.000 2.994) 15.677 0.950 ( 10.213 0.000 10.012) 14.302 1.124 ( 7.224 0.000 -6.390) 9.645 1.138 ( -4.820 0.000 -2.025) 5.228 1.158 ( -0.387 0.000 -4.825) 4.840 1.341 ( -3.600 0.000 1.101) 3.764 1.434 ( -3.484 0.000 -6.908) 7.737 1.439 ( -8.771 0.000 2.249) 9.055 1.507 ( -9.654 0.000 -4.586) 10.687 1.721 ( 16.135 0.000 12.014) 20.117 1.770 ( 0.389 0.000 3.721) 3.741 1.797 ( -0.874 0.000 0.821) 1.199 1.838 ( 6.535 0.000 0.108) 6.536 1.959 ( 7.073 0.000 7.209) 10.099 1.968 ( 1.072 0.000 3.798) 3.946 2.038 ( 0.938 0.000 -1.079) 1.430 2.060 ( 0.876 0.000 1.000) 1.329 2.083 ( 2.714 0.000 -4.567) 5.312 2.122 ( 2.376 0.000 -2.545) 3.482 2.175 ( -0.615 0.000 1.787) 1.890 2.219 ( -0.688 0.000 -3.803) 3.865 2.258 ( 1.723 0.000 2.015) 2.651 2.264 ( 3.892 0.000 -1.892) 4.327 2.328 ( 7.137 0.000 -9.128) 11.587 2.334 ( -0.495 0.000 -4.879) 4.904 2.514 ( -0.797 0.000 -0.120) 0.806 2.514 ( -0.847 0.000 -0.130) 0.856 2.544 ( 0.843 0.000 3.877) 3.967 2.593 ( 0.965 0.000 -0.868) 1.298 2.740 ( -0.008 0.000 0.355) 0.355 2.746 ( -6.031 0.000 5.284) 8.019 2.768 ( -1.122 0.000 -2.468) 2.711 2.830 ( -1.924 0.000 -2.594) 3.230 2.884 ( -1.037 0.000 1.106) 1.516 2.893 ( -2.728 0.000 0.287) 2.743 3.047 ( 2.242 0.000 3.488) 4.146 3.093 ( 0.149 0.000 1.990) 1.995 3.112 ( -2.279 0.000 -3.378) 4.075 3.118 ( -0.659 0.000 -0.632) 0.913 3.271 ( -2.430 0.000 5.348) 5.874 3.353 ( 0.226 0.000 0.693) 0.729 3.356 ( -2.736 0.000 -2.227) 3.528 3.371 ( -0.568 0.000 -1.085) 1.225 3.586 ( 3.681 0.000 5.178) 6.353 3.693 ( 5.005 0.000 -5.952) 7.776 3.783 ( -5.522 0.000 9.583) 11.060 3.979 ( -7.303 0.000 -11.202) 13.372 9.128 ( 1.460 0.000 1.906) 2.401 9.161 ( 0.546 0.000 -1.476) 1.573 9.178 ( 2.037 0.000 0.170) 2.044 9.181 ( 2.205 0.000 -0.161) 2.210 9.280 ( -2.240 0.000 0.540) 2.304 9.291 ( -2.384 0.000 -0.533) 2.443 9.346 ( 0.741 0.000 2.815) 2.911 9.392 ( -0.452 0.000 -1.934) 1.987 11.255 ( -0.051 0.000 1.891) 1.891 11.291 ( -1.114 0.000 -1.821) 2.135 11.343 ( 1.441 0.000 0.066) 1.443 11.344 ( 1.457 0.000 -0.050) 1.458 11.385 ( -3.201 0.000 3.088) 4.447 11.437 ( -5.058 0.000 -2.285) 5.550 11.479 ( -1.200 0.000 0.277) 1.231 11.484 ( -1.364 0.000 -0.270) 1.390 11.908 ( 3.725 0.000 1.273) 3.936 11.949 ( 2.027 0.000 -2.845) 3.494 12.101 ( 0.837 0.000 0.218) 0.865 12.123 ( -0.180 0.000 -1.827) 1.836 24.202 ( -0.034 0.000 0.030) 0.045 24.205 ( -0.113 0.000 -0.190) 0.221 24.227 ( -0.008 0.000 0.118) 0.118 24.232 ( -0.174 0.000 -0.412) 0.448 24.756 ( 2.211 0.000 4.437) 4.958 24.818 ( 0.483 0.000 -1.409) 1.490 24.889 ( 0.215 0.000 0.040) 0.219 24.890 ( 0.199 0.000 -0.027) 0.201 24.904 ( -0.133 0.000 0.184) 0.227 24.908 ( -0.245 0.000 -0.200) 0.316 25.111 ( -2.738 0.000 6.460) 7.016 25.233 ( -6.418 0.000 -6.033) 8.808 25.831 ( 2.680 0.000 3.364) 4.300 25.887 ( 0.359 0.000 -1.395) 1.441 25.998 ( 5.779 0.000 3.063) 6.541 26.109 ( 1.799 0.000 -7.726) 7.933 ======================= Grid point 129 (44/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -4.090 0.000 11.978) 12.657 0.974 ( 4.090 0.000 11.978) 12.657 1.146 ( -7.282 0.000 5.993) 9.431 1.146 ( 7.282 0.000 5.993) 9.431 1.174 ( -6.513 0.000 -8.364) 10.601 1.174 ( 6.513 0.000 -8.364) 10.601 1.309 ( -5.265 0.000 -2.471) 5.816 1.309 ( 5.265 0.000 -2.471) 5.816 1.329 ( -5.099 0.000 -7.973) 9.464 1.329 ( 5.099 0.000 -7.973) 9.464 1.781 ( -0.670 0.000 2.114) 2.217 1.781 ( 0.670 0.000 2.114) 2.217 1.903 ( -1.247 0.000 4.328) 4.503 1.903 ( 1.247 0.000 4.328) 4.503 2.016 ( -2.549 0.000 -1.898) 3.178 2.016 ( 2.549 0.000 -1.898) 3.178 2.074 ( -3.453 0.000 3.495) 4.913 2.074 ( 3.453 0.000 3.495) 4.913 2.153 ( -0.461 0.000 1.296) 1.375 2.153 ( 0.461 0.000 1.296) 1.375 2.169 ( -4.983 0.000 0.020) 4.984 2.169 ( 4.983 0.000 0.020) 4.984 2.304 ( -2.225 0.000 -3.344) 4.016 2.304 ( 2.226 0.000 -3.344) 4.016 2.356 ( -6.151 0.000 2.773) 6.747 2.356 ( 6.151 0.000 2.773) 6.747 2.506 ( -0.040 0.000 -0.291) 0.294 2.506 ( 0.040 0.000 -0.291) 0.294 2.564 ( -4.947 0.000 -4.491) 6.682 2.564 ( 4.947 0.000 -4.491) 6.682 2.733 ( -4.314 0.000 -0.663) 4.365 2.733 ( 4.314 0.000 -0.663) 4.365 2.746 ( -0.723 0.000 -1.038) 1.265 2.746 ( 0.723 0.000 -1.038) 1.265 2.868 ( -0.832 0.000 2.256) 2.404 2.868 ( 0.832 0.000 2.256) 2.404 3.103 ( -0.719 0.000 0.807) 1.081 3.103 ( 0.719 0.000 0.807) 1.081 3.105 ( -0.813 0.000 1.034) 1.315 3.105 ( 0.813 0.000 1.034) 1.315 3.279 ( -3.715 0.000 1.783) 4.121 3.279 ( 3.715 0.000 1.783) 4.121 3.360 ( -0.430 0.000 -0.307) 0.528 3.360 ( 0.430 0.000 -0.307) 0.528 3.669 ( -4.625 0.000 6.425) 7.917 3.669 ( 4.625 0.000 6.425) 7.917 3.819 ( -7.181 0.000 -8.959) 11.482 3.819 ( 7.181 0.000 -8.959) 11.482 9.156 ( -0.996 0.000 0.754) 1.250 9.156 ( 0.996 0.000 0.754) 1.250 9.220 ( -0.709 0.000 0.100) 0.716 9.220 ( 0.709 0.000 0.100) 0.716 9.243 ( -0.887 0.000 -0.093) 0.892 9.243 ( 0.887 0.000 -0.093) 0.892 9.369 ( -1.389 0.000 0.007) 1.389 9.369 ( 1.389 0.000 0.007) 1.389 11.281 ( -1.392 0.000 0.477) 1.472 11.281 ( 1.392 0.000 0.477) 1.472 11.355 ( -1.758 0.000 -0.106) 1.761 11.355 ( 1.758 0.000 -0.106) 1.761 11.362 ( -0.056 0.000 0.012) 0.058 11.362 ( 0.056 0.000 0.012) 0.058 11.464 ( -0.160 0.000 -0.001) 0.160 11.464 ( 0.160 0.000 -0.001) 0.160 11.959 ( -1.041 0.000 -0.784) 1.304 11.959 ( 1.041 0.000 -0.784) 1.304 12.114 ( -0.557 0.000 -0.812) 0.984 12.114 ( 0.557 0.000 -0.812) 0.984 24.203 ( -0.067 0.000 -0.067) 0.095 24.203 ( 0.067 0.000 -0.067) 0.095 24.229 ( -0.160 0.000 -0.230) 0.280 24.229 ( 0.160 0.000 -0.230) 0.280 24.802 ( -1.887 0.000 3.165) 3.685 24.802 ( 1.887 0.000 3.165) 3.685 24.893 ( -0.034 0.000 0.037) 0.050 24.893 ( 0.034 0.000 0.037) 0.050 24.903 ( -0.117 0.000 -0.038) 0.123 24.903 ( 0.117 0.000 -0.038) 0.123 25.123 ( -3.552 0.000 -1.671) 3.926 25.123 ( 3.552 0.000 -1.671) 3.926 25.875 ( -1.434 0.000 2.003) 2.463 25.875 ( 1.434 0.000 2.003) 2.463 26.094 ( -2.974 0.000 -3.006) 4.228 26.094 ( 2.974 0.000 -3.006) 4.228 ======================= Grid point 133 (45/60) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 19.485 1.775) 19.565 0.561 ( 0.000 20.330 -1.038) 20.357 0.735 ( 0.000 8.597 11.645) 14.474 0.875 ( 0.000 3.029 -0.378) 3.052 1.110 ( 0.000 -1.538 11.426) 11.529 1.293 ( 0.000 -1.645 -7.494) 7.672 1.355 ( 0.000 -0.810 4.995) 5.060 1.456 ( 0.000 -1.427 -4.810) 5.017 1.518 ( 0.000 14.071 10.163) 17.357 1.692 ( 0.000 1.585 3.730) 4.053 1.694 ( 0.000 6.232 2.482) 6.708 1.720 ( 0.000 8.870 -9.210) 12.787 1.779 ( 0.000 0.106 4.341) 4.342 1.821 ( 0.000 0.203 -1.465) 1.479 1.823 ( 0.000 6.036 -1.380) 6.192 1.915 ( 0.000 0.257 -7.320) 7.324 1.918 ( 0.000 -1.341 3.024) 3.308 1.987 ( 0.000 -1.175 -4.519) 4.669 2.012 ( 0.000 -2.438 4.331) 4.970 2.098 ( 0.000 -1.599 -5.306) 5.541 2.102 ( 0.000 -2.555 0.908) 2.711 2.137 ( 0.000 -4.266 -3.805) 5.717 2.158 ( 0.000 2.760 3.057) 4.119 2.231 ( 0.000 1.594 -4.911) 5.164 2.243 ( 0.000 0.953 5.714) 5.793 2.350 ( 0.000 2.153 -4.952) 5.400 2.571 ( 0.000 1.102 -0.354) 1.157 2.573 ( 0.000 2.858 -0.266) 2.870 2.657 ( 0.000 2.421 1.508) 2.852 2.664 ( 0.000 4.198 -0.224) 4.204 2.691 ( 0.000 -2.117 -0.641) 2.212 2.701 ( 0.000 -2.093 -0.448) 2.140 2.773 ( 0.000 2.040 0.791) 2.188 2.804 ( 0.000 -0.882 -2.510) 2.660 2.922 ( 0.000 -3.163 0.520) 3.205 2.937 ( 0.000 -0.131 -1.200) 1.208 3.114 ( 0.000 -0.820 0.974) 1.274 3.126 ( 0.000 -2.210 -0.352) 2.238 3.237 ( 0.000 2.886 1.586) 3.293 3.264 ( 0.000 3.512 -1.403) 3.782 3.338 ( 0.000 -1.151 1.446) 1.848 3.352 ( 0.000 -1.737 -0.126) 1.742 3.454 ( 0.000 2.609 0.804) 2.730 3.472 ( 0.000 3.366 -0.934) 3.493 3.483 ( 0.000 0.656 3.363) 3.426 3.551 ( 0.000 1.026 -3.320) 3.475 3.809 ( 0.000 -7.205 11.376) 13.466 4.005 ( 0.000 -7.521 -9.186) 11.872 9.063 ( 0.000 -1.694 1.353) 2.168 9.091 ( 0.000 -1.767 -1.567) 2.362 9.170 ( 0.000 1.665 0.227) 1.680 9.171 ( 0.000 2.776 0.045) 2.777 9.280 ( 0.000 -1.104 0.475) 1.202 9.291 ( 0.000 -2.582 -0.618) 2.655 9.391 ( 0.000 3.156 1.900) 3.684 9.425 ( 0.000 3.453 -1.714) 3.855 11.187 ( 0.000 -4.723 1.364) 4.916 11.213 ( 0.000 -4.665 -1.355) 4.858 11.482 ( 0.000 2.793 2.831) 3.977 11.513 ( 0.000 1.001 0.582) 1.158 11.518 ( 0.000 1.202 -0.030) 1.203 11.524 ( 0.000 3.892 -1.863) 4.315 11.582 ( 0.000 3.142 0.996) 3.296 11.611 ( 0.000 2.530 -2.116) 3.298 11.746 ( 0.000 0.277 1.334) 1.363 11.785 ( 0.000 1.989 -2.943) 3.552 12.018 ( 0.000 -2.803 4.007) 4.890 12.083 ( 0.000 -2.921 -2.922) 4.131 24.204 ( 0.000 -0.099 0.090) 0.134 24.207 ( 0.000 -0.014 -0.205) 0.206 24.232 ( 0.000 -0.097 0.103) 0.142 24.232 ( 0.000 -0.071 0.137) 0.155 24.703 ( 0.000 -0.412 3.851) 3.873 24.776 ( 0.000 -1.108 -3.857) 4.013 24.862 ( 0.000 -3.351 1.897) 3.851 24.887 ( 0.000 -2.299 -0.919) 2.475 24.935 ( 0.000 4.253 0.051) 4.253 24.938 ( 0.000 4.167 -0.305) 4.178 25.384 ( 0.000 0.571 2.890) 2.946 25.440 ( 0.000 0.035 -3.113) 3.114 25.687 ( 0.000 -1.221 2.873) 3.122 25.742 ( 0.000 -1.510 -3.001) 3.360 25.904 ( 0.000 0.117 1.147) 1.153 25.931 ( 0.000 2.157 -2.118) 3.023 ======================= Grid point 134 (46/60) ======================= q-point: ( 0.17 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 10.434 13.989 4.068) 17.920 0.689 ( 9.593 16.022 -0.343) 18.677 0.823 ( 7.782 7.119 11.227) 15.404 0.982 ( 8.253 4.038 -4.012) 10.026 1.213 ( 6.000 -0.009 4.249) 7.352 1.293 ( 0.368 2.903 -3.639) 4.669 1.380 ( 1.273 0.570 2.544) 2.901 1.446 ( -0.638 1.956 -2.577) 3.297 1.542 ( 3.980 10.208 9.243) 14.335 1.623 ( -5.260 1.832 3.578) 6.620 1.680 ( -2.607 1.265 -1.567) 3.294 1.726 ( 2.742 2.885 -5.339) 6.659 1.780 ( -0.592 3.365 2.259) 4.096 1.820 ( 0.725 2.516 -0.633) 2.693 1.869 ( 3.943 4.021 4.145) 6.993 1.953 ( 2.061 -0.308 3.425) 4.009 1.990 ( 4.582 0.205 -6.221) 7.729 2.036 ( 4.307 -0.157 -1.992) 4.748 2.057 ( 1.441 -1.011 -0.887) 1.971 2.097 ( 1.328 0.855 -1.354) 2.080 2.124 ( 3.309 -2.570 1.420) 4.424 2.138 ( 2.231 -0.298 -0.642) 2.341 2.177 ( 0.448 -2.961 -2.346) 3.805 2.213 ( -0.857 1.233 -3.229) 3.561 2.265 ( 1.757 1.216 2.556) 3.332 2.352 ( 0.233 1.169 -4.575) 4.727 2.549 ( -2.139 1.034 0.124) 2.379 2.558 ( -1.951 2.963 0.452) 3.576 2.580 ( -3.413 2.952 1.243) 4.680 2.627 ( -2.503 1.365 -2.696) 3.924 2.698 ( 1.642 -2.481 1.437) 3.303 2.742 ( 1.480 -1.727 -2.752) 3.571 2.805 ( 2.997 0.778 2.292) 3.852 2.835 ( 1.185 0.292 0.198) 1.236 2.888 ( -2.952 -3.040 0.511) 4.268 2.905 ( -1.819 0.239 -1.864) 2.616 3.075 ( -4.441 -0.598 3.295) 5.562 3.125 ( -1.483 -1.561 -1.718) 2.755 3.190 ( -2.052 3.356 1.467) 4.198 3.227 ( -4.091 2.144 -2.527) 5.265 3.308 ( -2.121 -0.898 1.511) 2.754 3.333 ( -0.511 -1.620 -0.663) 1.824 3.439 ( -1.216 4.328 0.865) 4.578 3.458 ( -0.959 4.040 -0.520) 4.185 3.517 ( 2.663 0.373 4.801) 5.503 3.597 ( 3.609 0.137 -3.654) 5.137 3.797 ( -1.587 -6.439 10.812) 12.684 4.000 ( -1.714 -7.396 -10.612) 13.048 9.078 ( 1.319 -1.483 1.473) 2.471 9.107 ( 1.374 -1.657 -1.568) 2.664 9.184 ( 1.281 2.786 0.225) 3.074 9.187 ( 1.445 2.337 -0.106) 2.750 9.287 ( 0.324 -1.565 0.974) 1.872 9.302 ( 0.554 -2.150 -0.712) 2.332 9.376 ( -1.331 2.902 1.857) 3.693 9.412 ( -1.161 2.480 -1.861) 3.311 11.199 ( 1.065 -3.901 1.290) 4.244 11.224 ( 0.926 -4.063 -1.306) 4.367 11.413 ( -6.072 2.836 2.365) 7.107 11.445 ( -4.897 3.472 -1.282) 6.138 11.466 ( -2.233 1.207 3.446) 4.280 11.518 ( -1.213 1.463 -0.941) 2.121 11.528 ( -1.956 1.921 0.003) 2.742 11.548 ( -4.130 0.873 -2.445) 4.878 11.834 ( 5.684 1.882 2.320) 6.422 11.890 ( 5.524 1.489 -3.533) 6.724 12.043 ( 1.832 -2.783 1.952) 3.861 12.088 ( 0.452 -2.876 -2.515) 3.847 24.203 ( -0.080 -0.066 0.081) 0.132 24.206 ( -0.089 -0.029 -0.202) 0.223 24.228 ( -0.206 -0.096 0.337) 0.406 24.233 ( -0.058 -0.139 -0.187) 0.240 24.712 ( 0.903 -0.549 3.824) 3.967 24.779 ( 0.178 -1.416 -2.902) 3.234 24.860 ( -0.157 -3.326 1.502) 3.653 24.882 ( -0.464 -2.604 -0.795) 2.762 24.935 ( 0.158 3.937 0.133) 3.943 24.942 ( 0.573 4.525 -0.758) 4.624 25.290 ( -6.102 4.571 6.387) 9.946 25.397 ( -3.954 2.563 -5.149) 6.979 25.740 ( 3.078 -2.612 3.125) 5.105 25.799 ( 4.748 -2.596 -3.072) 6.223 25.905 ( 0.764 -0.558 4.081) 4.189 26.004 ( 5.047 -0.678 -6.631) 8.361 ======================= Grid point 135 (47/60) ======================= q-point: ( 0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 11.254 9.024 4.264) 15.042 0.906 ( 11.341 6.461 3.571) 13.533 1.005 ( 7.908 6.516 8.407) 13.254 1.141 ( 5.511 4.636 -4.486) 8.484 1.251 ( 0.780 7.239 -0.949) 7.343 1.280 ( -1.305 8.555 -3.677) 9.403 1.357 ( -3.407 2.409 -1.242) 4.354 1.415 ( -4.777 1.044 -5.005) 6.998 1.517 ( -4.419 3.932 2.112) 6.281 1.573 ( -5.889 5.177 -3.568) 8.614 1.748 ( 10.816 1.635 9.232) 14.314 1.792 ( 3.372 2.728 3.545) 5.602 1.812 ( -0.281 1.371 -0.104) 1.404 1.857 ( 7.551 0.428 -0.335) 7.571 1.951 ( 1.866 1.097 6.363) 6.721 1.995 ( 2.980 2.306 3.518) 5.155 2.046 ( 0.292 -0.775 -1.996) 2.161 2.060 ( 1.965 0.751 -0.242) 2.118 2.115 ( 1.135 1.607 0.156) 1.974 2.134 ( 1.022 -0.567 -0.743) 1.385 2.141 ( -0.006 -1.539 -0.804) 1.736 2.167 ( -0.448 -2.215 -4.686) 5.202 2.246 ( 3.909 -0.393 0.839) 4.018 2.285 ( 5.335 1.924 -0.449) 5.689 2.319 ( 3.165 0.273 -3.946) 5.066 2.367 ( 3.003 0.865 -5.126) 6.004 2.505 ( -2.212 0.973 0.103) 2.418 2.517 ( -1.889 1.369 -0.670) 2.427 2.563 ( 2.213 0.010 2.222) 3.136 2.592 ( -0.437 -1.377 -0.820) 1.661 2.709 ( -3.496 0.416 1.385) 3.784 2.743 ( -2.372 0.803 -1.816) 3.093 2.807 ( -0.471 -0.476 2.399) 2.491 2.818 ( -1.584 -3.644 1.025) 4.104 2.866 ( -1.383 2.275 1.676) 3.145 2.903 ( 0.379 2.605 -2.184) 3.421 2.999 ( 0.524 -2.320 2.744) 3.631 3.062 ( -2.676 -2.825 -3.602) 5.303 3.143 ( -2.130 0.541 1.228) 2.518 3.168 ( -1.471 1.557 -1.233) 2.472 3.283 ( -0.453 1.866 2.735) 3.342 3.321 ( -0.701 -0.593 -0.719) 1.166 3.415 ( -0.967 4.270 1.088) 4.511 3.431 ( -1.645 4.124 -0.096) 4.441 3.579 ( 3.031 -0.598 5.235) 6.079 3.677 ( 3.926 -1.467 -5.097) 6.599 3.734 ( -4.168 -4.406 8.108) 10.125 3.913 ( -6.247 -6.045 -10.429) 13.577 9.113 ( 1.897 -1.062 1.511) 2.648 9.138 ( 1.347 -1.281 -1.095) 2.158 9.219 ( 1.937 3.159 0.200) 3.711 9.223 ( 1.723 3.287 -0.241) 3.719 9.284 ( -0.560 -1.086 1.015) 1.589 9.296 ( -1.046 -0.209 -0.494) 1.176 9.345 ( -1.258 1.291 1.749) 2.512 9.381 ( -1.812 -0.126 -1.707) 2.493 11.226 ( 1.466 -2.033 0.954) 2.682 11.244 ( 0.892 -2.607 -0.908) 2.901 11.339 ( -0.973 0.129 2.181) 2.391 11.372 ( -1.709 1.346 -1.387) 2.580 11.412 ( -2.666 1.412 1.566) 3.400 11.441 ( -4.591 0.188 -1.399) 4.803 11.495 ( -1.245 1.610 0.362) 2.067 11.502 ( -1.418 1.688 -0.360) 2.234 11.935 ( 3.800 2.242 1.389) 4.625 11.970 ( 2.223 1.581 -1.885) 3.316 12.073 ( 0.983 -2.428 -0.117) 2.622 12.095 ( 0.007 -2.554 -1.963) 3.221 24.202 ( -0.037 -0.035 0.031) 0.060 24.204 ( -0.112 -0.040 -0.136) 0.181 24.225 ( -0.036 -0.163 0.179) 0.245 24.230 ( -0.187 -0.190 -0.308) 0.407 24.738 ( 1.413 -1.169 3.480) 3.934 24.779 ( -0.269 -2.120 -0.342) 2.164 24.857 ( -0.066 -3.194 0.611) 3.253 24.870 ( -0.593 -3.036 -0.527) 3.138 24.946 ( 0.907 4.390 0.548) 4.516 24.963 ( 1.129 5.237 -1.352) 5.526 25.192 ( -2.676 6.428 5.258) 8.725 25.295 ( -5.369 5.280 -5.429) 9.283 25.798 ( 2.507 -3.083 3.294) 5.162 25.854 ( 0.238 -3.067 -1.422) 3.389 25.977 ( 5.361 -1.799 3.110) 6.453 26.080 ( 1.655 -2.536 -6.831) 7.473 ======================= Grid point 136 (48/60) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -3.618 6.751 7.697) 10.859 1.053 ( 3.618 6.751 7.697) 10.859 1.139 ( -9.155 2.037 1.534) 9.504 1.139 ( 9.155 2.037 1.534) 9.504 1.251 ( -4.736 6.157 -3.136) 8.377 1.251 ( 4.736 6.157 -3.136) 8.377 1.352 ( -1.325 3.960 -5.692) 7.060 1.352 ( 1.325 3.960 -5.692) 7.060 1.458 ( -2.782 10.145 -1.588) 10.638 1.458 ( 2.782 10.145 -1.588) 10.638 1.797 ( -0.727 0.137 1.699) 1.853 1.797 ( 0.727 0.137 1.699) 1.853 1.935 ( -2.594 2.385 5.359) 6.413 1.935 ( 2.594 2.385 5.359) 6.413 2.012 ( -3.753 -0.250 -2.020) 4.269 2.012 ( 3.753 -0.250 -2.020) 4.269 2.069 ( -3.233 0.137 3.994) 5.141 2.069 ( 3.233 0.137 3.994) 5.141 2.128 ( -2.699 -2.346 -1.199) 3.772 2.128 ( 2.699 -2.346 -1.199) 3.772 2.154 ( -0.705 -0.443 -1.012) 1.310 2.154 ( 0.705 -0.443 -1.012) 1.310 2.304 ( -2.483 -0.171 -1.893) 3.127 2.304 ( 2.483 -0.171 -1.893) 3.127 2.409 ( -6.706 4.166 2.518) 8.287 2.409 ( 6.706 4.166 2.518) 8.287 2.473 ( -3.155 0.225 -2.626) 4.111 2.473 ( 3.155 0.225 -2.626) 4.111 2.625 ( -3.312 -0.880 0.494) 3.462 2.625 ( 3.312 -0.880 0.494) 3.462 2.642 ( -5.063 -0.594 -2.256) 5.574 2.642 ( 5.063 -0.594 -2.256) 5.574 2.805 ( -1.442 -1.370 2.542) 3.228 2.805 ( 1.442 -1.370 2.542) 3.228 2.861 ( -2.782 4.339 -1.495) 5.367 2.861 ( 2.782 4.339 -1.495) 5.367 3.050 ( -0.936 -4.509 0.443) 4.627 3.050 ( 0.936 -4.509 0.443) 4.627 3.134 ( -1.470 -0.374 -0.592) 1.628 3.134 ( 1.470 -0.374 -0.592) 1.628 3.296 ( -1.593 2.939 2.798) 4.359 3.296 ( 1.593 2.939 2.798) 4.360 3.405 ( -0.356 3.375 0.204) 3.400 3.405 ( 0.356 3.375 0.204) 3.400 3.646 ( -3.621 -2.106 5.442) 6.868 3.646 ( 3.621 -2.106 5.442) 6.868 3.777 ( -5.848 -3.827 -8.110) 10.706 3.777 ( 5.848 -3.827 -8.110) 10.706 9.146 ( -0.873 -0.830 0.637) 1.363 9.146 ( 0.873 -0.830 0.637) 1.363 9.246 ( -0.191 2.012 -0.046) 2.022 9.246 ( 0.191 2.012 -0.046) 2.022 9.275 ( -0.506 2.893 0.049) 2.937 9.275 ( 0.506 2.893 0.049) 2.937 9.344 ( -1.332 -1.908 -0.050) 2.328 9.344 ( 1.332 -1.908 -0.050) 2.328 11.252 ( -0.576 -2.008 0.212) 2.099 11.252 ( 0.576 -2.008 0.212) 2.099 11.350 ( -1.474 -0.330 0.182) 1.522 11.350 ( 1.474 -0.330 0.182) 1.522 11.378 ( -0.420 1.074 0.006) 1.153 11.378 ( 0.420 1.074 0.006) 1.153 11.482 ( -0.225 1.551 0.013) 1.568 11.482 ( 0.225 1.551 0.013) 1.568 11.985 ( -0.850 2.015 -0.201) 2.196 11.985 ( 0.850 2.015 -0.201) 2.196 12.088 ( -0.558 -2.306 -1.121) 2.624 12.088 ( 0.558 -2.306 -1.121) 2.624 24.202 ( -0.052 -0.036 -0.041) 0.075 24.202 ( 0.052 -0.036 -0.041) 0.075 24.226 ( -0.149 -0.201 -0.150) 0.292 24.226 ( 0.149 -0.201 -0.150) 0.292 24.765 ( -1.078 -2.043 2.170) 3.169 24.765 ( 1.078 -2.043 2.170) 3.169 24.860 ( -0.329 -3.171 -0.135) 3.191 24.860 ( 0.329 -3.171 -0.135) 3.191 24.968 ( -0.838 5.430 0.399) 5.508 24.968 ( 0.838 5.430 0.399) 5.508 25.198 ( -3.159 6.102 -1.450) 7.023 25.198 ( 3.159 6.102 -1.450) 7.023 25.840 ( -1.395 -3.128 1.989) 3.961 25.840 ( 1.395 -3.128 1.989) 3.961 26.068 ( -2.727 -2.466 -2.641) 4.527 26.068 ( 2.727 -2.466 -2.641) 4.527 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 6.196 7.541) 9.760 0.873 ( 0.000 10.991 2.143) 11.198 0.997 ( 0.000 5.753 10.650) 12.104 1.001 ( 0.000 15.290 2.390) 15.476 1.102 ( 0.000 5.085 -2.620) 5.720 1.237 ( 0.000 -5.014 -10.470) 11.609 1.368 ( 0.000 2.413 -0.230) 2.424 1.398 ( 0.000 -1.740 -2.745) 3.250 1.656 ( 0.000 0.168 6.150) 6.152 1.754 ( 0.000 1.408 -3.773) 4.027 1.790 ( 0.000 -1.369 2.659) 2.990 1.824 ( 0.000 8.181 6.826) 10.655 1.842 ( 0.000 -0.223 -3.273) 3.281 1.877 ( 0.000 -1.085 1.864) 2.157 1.895 ( 0.000 0.915 -2.399) 2.568 1.939 ( 0.000 4.745 2.918) 5.571 1.941 ( 0.000 1.486 -2.292) 2.731 1.983 ( 0.000 -2.721 0.167) 2.727 1.987 ( 0.000 -1.933 -1.605) 2.513 2.051 ( 0.000 1.680 -8.385) 8.552 2.090 ( 0.000 6.902 1.015) 6.976 2.096 ( 0.000 3.403 0.203) 3.409 2.197 ( 0.000 0.666 1.832) 1.949 2.260 ( 0.000 1.972 -4.594) 5.000 2.314 ( 0.000 5.519 5.893) 8.073 2.393 ( 0.000 2.239 -2.086) 3.060 2.575 ( 0.000 -1.321 1.514) 2.009 2.607 ( 0.000 -5.744 3.638) 6.800 2.645 ( 0.000 2.730 -3.328) 4.305 2.662 ( 0.000 0.873 -0.105) 0.880 2.725 ( 0.000 2.163 -0.815) 2.311 2.738 ( 0.000 2.560 -2.428) 3.529 2.800 ( 0.000 2.270 0.126) 2.273 2.843 ( 0.000 4.548 -3.790) 5.920 2.913 ( 0.000 1.755 3.325) 3.759 2.956 ( 0.000 -0.077 -1.404) 1.406 3.042 ( 0.000 -5.332 0.927) 5.412 3.067 ( 0.000 -2.111 -1.621) 2.661 3.270 ( 0.000 -0.152 2.861) 2.865 3.310 ( 0.000 -1.141 -0.340) 1.191 3.325 ( 0.000 2.174 -0.460) 2.222 3.341 ( 0.000 0.583 -1.033) 1.186 3.499 ( 0.000 1.108 4.469) 4.604 3.510 ( 0.000 2.135 0.401) 2.172 3.526 ( 0.000 1.083 -0.384) 1.149 3.575 ( 0.000 0.519 -3.457) 3.496 3.657 ( 0.000 -5.610 9.971) 11.441 3.841 ( 0.000 -8.149 -8.782) 11.980 9.038 ( 0.000 -0.752 1.023) 1.269 9.061 ( 0.000 -1.120 -1.329) 1.738 9.164 ( 0.000 -1.882 1.206) 2.235 9.189 ( 0.000 -1.818 -1.461) 2.333 9.290 ( 0.000 3.235 1.255) 3.470 9.312 ( 0.000 3.817 -1.104) 3.973 9.447 ( 0.000 2.216 2.201) 3.123 9.485 ( 0.000 2.225 -1.723) 2.815 11.141 ( 0.000 -0.254 0.203) 0.325 11.156 ( 0.000 -1.109 -1.108) 1.568 11.489 ( 0.000 -1.197 3.724) 3.912 11.540 ( 0.000 1.457 -0.467) 1.530 11.550 ( 0.000 -0.655 -1.192) 1.360 11.555 ( 0.000 2.393 -0.300) 2.412 11.654 ( 0.000 3.658 0.108) 3.659 11.668 ( 0.000 3.010 -1.432) 3.334 11.770 ( 0.000 1.658 2.591) 3.076 11.820 ( 0.000 0.888 -2.570) 2.719 11.950 ( 0.000 -3.538 3.074) 4.687 12.006 ( 0.000 -4.399 -2.636) 5.128 24.203 ( 0.000 -0.043 0.159) 0.165 24.206 ( 0.000 -0.068 -0.228) 0.238 24.230 ( 0.000 -0.050 0.230) 0.236 24.230 ( 0.000 -0.061 0.240) 0.248 24.693 ( 0.000 -0.469 2.916) 2.953 24.750 ( 0.000 -1.458 -3.008) 3.343 24.795 ( 0.000 -2.852 2.224) 3.617 24.828 ( 0.000 -3.159 -1.329) 3.427 25.033 ( 0.000 4.703 0.032) 4.703 25.034 ( 0.000 5.027 -0.135) 5.029 25.395 ( 0.000 0.536 2.393) 2.452 25.440 ( 0.000 -0.018 -2.384) 2.384 25.645 ( 0.000 -2.718 2.178) 3.483 25.691 ( 0.000 -3.358 -2.799) 4.372 25.925 ( 0.000 1.972 2.435) 3.133 25.978 ( 0.000 2.108 -3.349) 3.957 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 6.732 11.055 6.628) 14.541 0.971 ( 8.333 4.465 8.919) 12.997 0.998 ( 4.053 13.447 -0.815) 14.069 1.140 ( 6.245 9.663 -4.241) 12.262 1.208 ( 10.503 1.385 3.676) 11.214 1.309 ( 5.933 -2.183 -5.396) 8.312 1.415 ( 3.034 1.410 -1.301) 3.590 1.441 ( 3.901 1.709 -3.039) 5.232 1.620 ( -3.541 0.583 4.104) 5.452 1.700 ( -3.924 2.129 -3.743) 5.826 1.769 ( -0.735 4.766 4.351) 6.495 1.796 ( -0.100 5.523 0.232) 5.528 1.858 ( -0.769 -1.601 1.354) 2.233 1.869 ( -0.613 1.001 -0.324) 1.218 1.918 ( 3.396 1.079 2.297) 4.240 1.972 ( 2.303 -1.571 -1.475) 3.154 1.982 ( 1.541 -1.601 -0.357) 2.250 2.021 ( 3.073 -1.879 -3.198) 4.816 2.059 ( 2.382 3.386 1.531) 4.414 2.070 ( 3.070 0.494 0.148) 3.113 2.111 ( 2.263 2.083 -1.414) 3.385 2.126 ( 5.700 1.917 -3.793) 7.110 2.197 ( 0.192 3.029 2.400) 3.869 2.262 ( -0.568 2.842 -3.299) 4.392 2.315 ( 0.722 4.383 4.407) 6.257 2.393 ( 0.121 4.039 -2.038) 4.526 2.543 ( -2.663 -2.191 2.054) 4.014 2.585 ( -1.884 -4.524 2.006) 5.295 2.646 ( -3.425 3.521 -1.524) 5.143 2.654 ( -2.484 5.032 0.703) 5.656 2.701 ( 0.798 1.869 -0.805) 2.186 2.722 ( 3.350 -0.269 -3.156) 4.610 2.800 ( -0.849 1.051 1.394) 1.941 2.841 ( -1.256 -0.055 -2.418) 2.725 2.892 ( -0.931 2.678 2.592) 3.841 2.935 ( -0.916 1.018 -2.300) 2.676 3.052 ( -1.806 -2.386 -0.252) 3.003 3.053 ( -1.168 -3.722 -0.281) 3.911 3.223 ( -3.389 -0.151 1.712) 3.800 3.242 ( -4.701 -0.307 -0.709) 4.764 3.320 ( -0.605 1.345 0.060) 1.476 3.331 ( -0.641 1.785 -0.788) 2.054 3.509 ( -0.138 1.947 1.311) 2.351 3.519 ( 0.412 1.125 1.271) 1.746 3.541 ( 1.353 1.842 3.176) 3.913 3.601 ( 2.032 -0.230 -2.844) 3.503 3.656 ( -0.270 -5.667 7.995) 9.803 3.832 ( -1.438 -8.411 -9.186) 12.538 9.054 ( 1.476 -0.778 1.098) 1.997 9.078 ( 1.500 -1.168 -1.309) 2.308 9.185 ( 1.736 -2.152 1.346) 3.075 9.209 ( 1.739 -1.880 -1.299) 2.872 9.296 ( 0.443 3.225 1.054) 3.421 9.314 ( 0.009 3.825 -0.869) 3.923 9.433 ( -1.293 2.420 1.577) 3.165 9.463 ( -1.951 2.205 -1.490) 3.300 11.160 ( 1.666 -0.231 0.317) 1.711 11.174 ( 1.654 -0.941 -1.056) 2.176 11.436 ( -5.328 -0.256 3.954) 6.640 11.490 ( -3.244 2.010 0.818) 3.903 11.493 ( -5.119 0.489 -1.582) 5.380 11.517 ( -2.850 -0.222 -1.589) 3.271 11.587 ( -3.298 3.150 0.229) 4.566 11.594 ( -3.247 2.899 -0.469) 4.378 11.875 ( 6.010 1.710 1.994) 6.558 11.912 ( 4.979 0.177 -1.069) 5.096 11.980 ( 2.481 -2.886 0.598) 3.853 12.015 ( 0.813 -3.993 -2.278) 4.669 24.202 ( -0.041 -0.024 0.134) 0.143 24.206 ( -0.063 -0.040 -0.227) 0.239 24.226 ( -0.281 -0.073 0.411) 0.503 24.230 ( -0.136 -0.124 -0.028) 0.186 24.702 ( 0.730 -0.483 2.863) 2.994 24.750 ( -0.014 -1.358 -1.877) 2.316 24.796 ( 0.116 -2.695 1.274) 2.984 24.821 ( -0.594 -3.050 -1.027) 3.272 25.025 ( -0.077 4.481 0.540) 4.514 25.041 ( 0.667 4.714 -1.264) 4.926 25.377 ( -1.971 3.681 4.179) 5.907 25.454 ( 0.065 2.795 -3.934) 4.826 25.665 ( 1.696 -4.482 2.677) 5.489 25.726 ( 3.385 -4.348 -3.638) 6.602 25.911 ( -0.594 1.243 4.466) 4.674 25.997 ( 1.538 0.003 -4.806) 5.046 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 8.108 8.960 4.755) 12.985 1.106 ( 5.959 10.515 0.253) 12.089 1.169 ( 8.177 7.587 4.292) 11.952 1.262 ( 4.333 5.736 -4.298) 8.375 1.377 ( 2.182 4.662 3.603) 6.283 1.397 ( 0.969 2.472 0.730) 2.753 1.451 ( 0.271 3.624 -3.345) 4.939 1.481 ( -0.814 6.765 -5.392) 8.689 1.589 ( 3.132 3.993 2.880) 5.835 1.648 ( -0.276 2.844 -3.407) 4.447 1.785 ( -1.236 -1.013 0.764) 1.771 1.801 ( -1.402 2.409 -0.926) 2.937 1.864 ( 4.747 1.457 3.123) 5.866 1.876 ( 3.388 -0.098 1.030) 3.542 1.970 ( 1.031 -3.053 0.052) 3.222 1.999 ( 0.737 -2.866 -1.230) 3.205 2.036 ( 2.860 1.187 2.046) 3.712 2.074 ( 2.572 3.557 -0.461) 4.414 2.079 ( -0.718 -2.389 2.236) 3.350 2.108 ( 0.095 -1.583 -1.279) 2.038 2.165 ( 1.014 1.776 -0.649) 2.146 2.179 ( -0.776 3.181 -2.032) 3.853 2.274 ( 4.724 2.020 2.403) 5.672 2.319 ( 5.817 -0.178 -1.703) 6.064 2.358 ( 3.408 4.563 1.453) 5.878 2.408 ( 2.910 4.005 -2.436) 5.517 2.507 ( -0.537 -0.850 1.390) 1.716 2.541 ( -0.654 -1.512 0.468) 1.713 2.579 ( -2.834 4.095 -0.411) 4.997 2.615 ( 0.018 3.878 -0.987) 4.002 2.726 ( -4.706 1.156 1.182) 4.988 2.745 ( -5.796 -0.097 -0.709) 5.840 2.784 ( 4.480 -1.122 2.151) 5.095 2.813 ( 2.762 1.308 -0.887) 3.183 2.905 ( 1.514 0.831 1.561) 2.329 2.939 ( 0.209 1.820 -1.877) 2.623 2.984 ( -3.142 -0.190 0.365) 3.168 2.995 ( -3.478 -3.806 -0.449) 5.176 3.126 ( -4.518 -0.664 1.232) 4.730 3.168 ( -3.690 0.187 -2.767) 4.616 3.319 ( 1.024 0.611 0.974) 1.539 3.338 ( 1.638 1.794 -0.407) 2.463 3.487 ( -2.000 1.755 2.791) 3.856 3.507 ( -1.519 2.564 0.171) 2.985 3.570 ( 1.293 -0.279 5.237) 5.401 3.632 ( -0.534 -3.607 2.185) 4.251 3.650 ( 1.043 -1.820 -1.965) 2.874 3.767 ( -4.475 -7.600 -8.644) 12.349 9.094 ( 2.104 -0.767 1.142) 2.514 9.115 ( 1.729 -1.021 -1.032) 2.257 9.221 ( 1.306 -3.175 1.496) 3.745 9.245 ( 0.944 -2.883 -1.062) 3.214 9.306 ( 0.778 4.040 0.633) 4.163 9.316 ( 0.843 4.397 -0.450) 4.500 9.397 ( -2.168 2.897 0.575) 3.664 9.412 ( -2.696 2.496 -0.884) 3.778 11.201 ( 1.933 -0.194 0.394) 1.982 11.212 ( 1.545 -0.528 -0.715) 1.783 11.344 ( -2.319 0.138 2.703) 3.564 11.388 ( -3.719 -0.018 -1.958) 4.203 11.433 ( -2.567 1.089 0.810) 2.904 11.445 ( -3.447 0.641 -0.353) 3.524 11.534 ( -1.951 1.801 0.353) 2.678 11.541 ( -2.030 1.736 -0.369) 2.697 11.977 ( 3.494 1.458 1.592) 4.107 11.983 ( 2.179 -0.888 1.479) 2.779 12.024 ( 1.174 -2.071 -1.718) 2.936 12.039 ( 1.379 -2.048 -2.793) 3.728 24.202 ( 0.000 0.025 0.082) 0.085 24.204 ( -0.083 0.041 -0.141) 0.169 24.221 ( -0.137 -0.208 0.284) 0.378 24.226 ( -0.253 -0.227 -0.175) 0.382 24.720 ( 0.943 -0.565 2.461) 2.696 24.747 ( -0.293 -1.044 0.054) 1.086 24.798 ( 0.024 -2.534 0.214) 2.543 24.808 ( -0.554 -2.746 -0.490) 2.844 25.041 ( 1.662 4.672 0.902) 5.040 25.070 ( 1.811 4.926 -2.278) 5.721 25.321 ( -2.546 5.506 4.143) 7.346 25.408 ( -4.176 5.017 -5.163) 8.322 25.719 ( 3.081 -4.116 3.631) 6.295 25.782 ( 0.984 -3.468 -2.283) 4.267 25.937 ( 3.215 -1.821 3.673) 5.210 26.023 ( 0.476 -2.770 -4.900) 5.648 ======================= Grid point 143 (52/60) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -4.602 7.588 2.011) 9.099 1.206 ( 4.602 7.588 2.011) 9.099 1.235 ( -6.575 6.875 0.100) 9.513 1.235 ( 6.575 6.875 0.100) 9.513 1.381 ( -2.657 6.295 2.848) 7.403 1.381 ( 2.657 6.295 2.848) 7.403 1.472 ( -1.389 6.860 -6.004) 9.222 1.472 ( 1.389 6.860 -6.004) 9.222 1.654 ( -0.968 7.925 0.274) 7.989 1.654 ( 0.968 7.925 0.274) 7.989 1.754 ( -0.872 -3.682 0.007) 3.784 1.754 ( 0.872 -3.682 0.007) 3.784 1.947 ( -1.344 -2.764 0.649) 3.142 1.947 ( 1.344 -2.764 0.649) 3.142 2.002 ( -3.257 0.334 3.196) 4.575 2.002 ( 3.257 0.334 3.196) 4.575 2.047 ( -2.414 -2.926 0.088) 3.794 2.047 ( 2.414 -2.926 0.088) 3.794 2.106 ( -0.632 0.113 -0.977) 1.169 2.106 ( 0.632 0.113 -0.977) 1.169 2.174 ( -1.038 3.209 -1.472) 3.680 2.174 ( 1.038 3.209 -1.472) 3.680 2.336 ( -1.707 3.048 -0.442) 3.521 2.336 ( 1.707 3.048 -0.442) 3.521 2.460 ( -2.789 -1.206 0.914) 3.173 2.460 ( 2.789 -1.206 0.914) 3.173 2.518 ( -1.928 4.770 -1.123) 5.266 2.518 ( 1.928 4.770 -1.123) 5.266 2.595 ( -5.545 -1.133 2.497) 6.186 2.595 ( 5.545 -1.133 2.497) 6.186 2.650 ( -3.018 2.989 -1.679) 4.568 2.650 ( 3.018 2.989 -1.679) 4.568 2.845 ( -1.782 3.004 1.326) 3.735 2.845 ( 1.782 3.004 1.326) 3.735 2.919 ( -2.964 -0.031 1.345) 3.255 2.919 ( 2.964 -0.031 1.345) 3.255 2.964 ( -1.261 -2.414 0.267) 2.737 2.964 ( 1.261 -2.414 0.267) 2.737 3.093 ( -2.258 -1.264 -3.040) 3.992 3.093 ( 2.258 -1.264 -3.040) 3.992 3.358 ( -1.544 1.399 2.783) 3.477 3.358 ( 1.544 1.399 2.783) 3.477 3.464 ( -1.530 1.853 0.378) 2.433 3.464 ( 1.530 1.853 0.378) 2.433 3.602 ( -1.815 -1.693 2.870) 3.795 3.602 ( 1.815 -1.693 2.870) 3.795 3.686 ( -2.536 -4.477 -5.842) 7.785 3.686 ( 2.536 -4.477 -5.842) 7.785 9.129 ( -0.766 -0.759 0.434) 1.162 9.129 ( 0.766 -0.759 0.434) 1.162 9.238 ( -0.818 -3.026 -0.110) 3.137 9.238 ( 0.818 -3.026 -0.110) 3.137 9.344 ( -2.211 3.625 0.518) 4.278 9.344 ( 2.211 3.625 0.518) 4.278 9.357 ( -2.226 3.357 -0.532) 4.063 9.357 ( 2.226 3.357 -0.532) 4.063 11.226 ( -0.287 -0.290 0.054) 0.412 11.226 ( 0.287 -0.290 0.054) 0.412 11.340 ( -1.259 -0.751 0.158) 1.474 11.340 ( 1.259 -0.751 0.158) 1.474 11.402 ( -0.173 1.366 0.170) 1.387 11.402 ( 0.173 1.366 0.170) 1.387 11.514 ( -0.253 1.268 0.007) 1.293 11.514 ( 0.253 1.268 0.007) 1.293 12.009 ( -0.270 -0.591 1.588) 1.716 12.009 ( 0.270 -0.591 1.588) 1.716 12.047 ( -0.765 -0.775 -2.386) 2.623 12.047 ( 0.765 -0.775 -2.386) 2.623 24.202 ( -0.067 0.075 0.012) 0.101 24.202 ( 0.067 0.075 0.012) 0.101 24.221 ( -0.146 -0.290 -0.049) 0.328 24.221 ( 0.146 -0.290 -0.049) 0.328 24.737 ( -0.677 -0.716 1.508) 1.801 24.737 ( 0.677 -0.716 1.508) 1.801 24.800 ( -0.218 -2.576 -0.139) 2.589 24.800 ( 0.218 -2.576 -0.139) 2.589 25.080 ( -1.334 5.437 0.005) 5.598 25.080 ( 1.334 5.437 0.005) 5.598 25.320 ( -2.967 4.832 -1.572) 5.884 25.320 ( 2.967 4.832 -1.572) 5.884 25.772 ( -1.679 -2.708 2.066) 3.797 25.772 ( 1.679 -2.708 2.066) 3.797 26.004 ( -2.360 -3.575 -1.772) 4.636 26.004 ( 2.360 -3.575 -1.772) 4.636 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.000 -5.072 8.540) 9.933 0.908 ( 0.000 -8.083 -5.233) 9.629 1.167 ( 0.000 10.480 7.471) 12.870 1.238 ( 0.000 7.752 -0.187) 7.754 1.293 ( 0.000 12.437 -0.621) 12.452 1.299 ( 0.000 9.739 -1.842) 9.912 1.394 ( 0.000 0.520 -2.011) 2.077 1.437 ( 0.000 4.603 -5.219) 6.959 1.657 ( 0.000 -0.633 3.039) 3.104 1.697 ( 0.000 -6.222 2.673) 6.772 1.737 ( 0.000 -4.582 -3.275) 5.632 1.769 ( 0.000 -6.220 -6.336) 8.879 1.864 ( 0.000 0.215 2.843) 2.851 1.891 ( 0.000 0.298 -0.157) 0.337 1.896 ( 0.000 -3.090 1.658) 3.506 1.911 ( 0.000 2.943 0.630) 3.010 1.920 ( 0.000 -0.363 -1.210) 1.263 1.956 ( 0.000 0.577 -4.100) 4.140 2.006 ( 0.000 -5.228 1.355) 5.401 2.037 ( 0.000 0.281 -2.038) 2.058 2.216 ( 0.000 1.407 1.184) 1.839 2.225 ( 0.000 3.455 0.257) 3.465 2.299 ( 0.000 8.606 1.710) 8.774 2.318 ( 0.000 1.575 0.599) 1.685 2.429 ( 0.000 5.758 3.750) 6.872 2.457 ( 0.000 3.764 -0.558) 3.805 2.492 ( 0.000 -3.048 4.446) 5.391 2.556 ( 0.000 0.584 -3.079) 3.134 2.686 ( 0.000 0.479 -0.778) 0.913 2.688 ( 0.000 0.802 -0.839) 1.161 2.764 ( 0.000 1.718 1.369) 2.197 2.777 ( 0.000 1.258 -1.389) 1.875 2.866 ( 0.000 2.084 1.887) 2.811 2.908 ( 0.000 -2.899 -0.371) 2.922 2.924 ( 0.000 1.071 -2.635) 2.844 2.924 ( 0.000 2.829 -3.393) 4.418 3.009 ( 0.000 3.240 4.140) 5.257 3.089 ( 0.000 3.252 -3.662) 4.897 3.217 ( 0.000 -5.311 4.974) 7.277 3.275 ( 0.000 -2.535 -1.484) 2.937 3.357 ( 0.000 0.772 -0.546) 0.945 3.362 ( 0.000 1.194 -1.359) 1.809 3.486 ( 0.000 -2.711 3.078) 4.102 3.509 ( 0.000 -0.799 1.427) 1.636 3.538 ( 0.000 0.518 0.557) 0.761 3.567 ( 0.000 -0.407 -1.130) 1.201 3.639 ( 0.000 1.073 1.133) 1.561 3.698 ( 0.000 -4.868 -4.082) 6.353 9.031 ( 0.000 0.040 0.773) 0.774 9.045 ( 0.000 -0.480 -0.593) 0.763 9.125 ( 0.000 -1.502 0.493) 1.581 9.143 ( 0.000 -2.127 -1.246) 2.465 9.370 ( 0.000 3.853 1.463) 4.122 9.396 ( 0.000 3.703 -1.196) 3.891 9.476 ( 0.000 0.692 1.962) 2.081 9.510 ( 0.000 0.178 -1.552) 1.562 11.155 ( 0.000 1.079 -0.454) 1.170 11.156 ( 0.000 0.715 -0.443) 0.841 11.457 ( 0.000 -1.381 2.395) 2.765 11.495 ( 0.000 -2.916 -1.789) 3.421 11.604 ( 0.000 3.499 0.882) 3.609 11.617 ( 0.000 3.509 -0.545) 3.551 11.720 ( 0.000 2.238 -0.144) 2.243 11.720 ( 0.000 1.435 -0.241) 1.455 11.791 ( 0.000 0.558 1.682) 1.772 11.816 ( 0.000 -0.528 -0.666) 0.850 11.885 ( 0.000 -2.871 1.137) 3.088 11.916 ( 0.000 -4.179 -1.803) 4.551 24.203 ( 0.000 0.048 0.087) 0.100 24.205 ( 0.000 -0.059 -0.132) 0.145 24.229 ( 0.000 -0.055 0.280) 0.285 24.230 ( 0.000 -0.038 0.154) 0.158 24.686 ( 0.000 -0.180 1.542) 1.553 24.718 ( 0.000 -1.610 -1.860) 2.460 24.755 ( 0.000 -1.084 1.229) 1.639 24.773 ( 0.000 -2.004 -0.703) 2.124 25.115 ( 0.000 3.171 0.213) 3.178 25.120 ( 0.000 3.133 -0.329) 3.150 25.409 ( 0.000 0.805 2.001) 2.157 25.438 ( 0.000 -0.300 -0.948) 0.994 25.593 ( 0.000 -2.019 0.629) 2.115 25.621 ( 0.000 -3.203 -2.179) 3.874 25.972 ( 0.000 2.257 1.860) 2.925 26.008 ( 0.000 0.761 -2.015) 2.154 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.17 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 13.222 -3.620 7.220) 15.494 1.032 ( 10.213 -4.356 -2.338) 11.346 1.215 ( 4.627 8.066 2.717) 9.688 1.270 ( 1.487 11.380 -3.353) 11.957 1.341 ( 4.118 5.576 0.196) 6.934 1.373 ( 5.940 8.458 -1.169) 10.401 1.441 ( 5.045 2.605 1.721) 5.933 1.526 ( 6.638 5.071 -5.222) 9.851 1.654 ( -0.339 1.182 2.507) 2.792 1.703 ( 0.337 -4.881 2.046) 5.303 1.750 ( 0.340 -2.664 -4.400) 5.155 1.781 ( 1.519 -5.781 -3.914) 7.145 1.869 ( -1.162 -0.051 0.998) 1.532 1.877 ( -1.101 -0.978 2.028) 2.507 1.892 ( -0.623 0.379 -1.111) 1.329 1.918 ( 0.403 -0.046 -1.864) 1.907 1.936 ( 4.151 -0.680 3.047) 5.194 1.998 ( 3.425 0.648 -3.849) 5.193 2.053 ( 4.288 -3.735 2.382) 6.166 2.092 ( 3.003 -1.513 -1.885) 3.855 2.187 ( -1.625 4.265 0.181) 4.568 2.196 ( 0.382 1.892 -0.827) 2.100 2.303 ( -1.592 2.138 1.998) 3.331 2.319 ( 0.259 3.956 0.147) 3.968 2.426 ( 0.647 5.646 3.399) 6.622 2.452 ( -1.006 -2.228 1.387) 2.811 2.513 ( 0.315 0.137 3.006) 3.026 2.549 ( 0.595 5.811 -1.736) 6.094 2.684 ( -1.438 -1.107 0.705) 1.947 2.704 ( 0.471 0.282 -1.353) 1.460 2.736 ( -0.013 2.002 0.755) 2.139 2.755 ( -1.796 2.719 -1.607) 3.633 2.841 ( -2.455 1.981 1.236) 3.388 2.849 ( -3.748 0.003 -0.468) 3.777 2.905 ( -0.292 -2.145 -0.648) 2.260 2.929 ( -0.001 0.055 -2.924) 2.925 3.015 ( -0.888 2.682 2.518) 3.785 3.075 ( -1.833 3.540 -3.000) 4.989 3.193 ( -1.955 -2.848 3.651) 5.026 3.230 ( -2.687 -1.000 -0.883) 2.999 3.351 ( -0.249 1.651 0.185) 1.680 3.371 ( -0.542 1.625 -1.808) 2.491 3.481 ( -0.504 -3.648 3.998) 5.435 3.519 ( 0.299 -1.885 0.959) 2.137 3.550 ( 0.942 0.396 1.148) 1.537 3.583 ( 1.144 -0.692 -1.055) 1.703 3.634 ( -0.406 0.712 0.090) 0.825 3.686 ( -1.330 -4.940 -4.520) 6.827 9.046 ( 1.375 -0.046 0.767) 1.575 9.060 ( 1.391 -0.586 -0.632) 1.637 9.141 ( 1.288 -1.632 0.710) 2.197 9.159 ( 1.360 -2.274 -1.142) 2.885 9.376 ( 0.510 3.859 1.279) 4.097 9.399 ( 0.180 3.846 -1.114) 4.009 9.465 ( -0.923 0.684 1.498) 1.888 9.491 ( -1.612 0.426 -1.238) 2.077 11.173 ( 1.644 1.068 -0.315) 1.986 11.175 ( 1.753 0.678 -0.469) 1.937 11.417 ( -3.618 -0.974 2.463) 4.484 11.455 ( -3.734 -2.554 -1.622) 4.806 11.543 ( -4.170 3.026 0.930) 5.235 11.559 ( -4.316 2.837 -0.811) 5.229 11.633 ( -4.551 1.026 0.308) 4.675 11.638 ( -4.734 1.022 -0.134) 4.845 11.888 ( 5.031 -0.346 1.580) 5.285 11.905 ( 4.864 -0.037 0.517) 4.891 11.936 ( 3.935 -2.058 -1.164) 4.591 11.944 ( 2.282 -2.469 -1.304) 3.606 24.203 ( -0.014 0.055 0.073) 0.093 24.205 ( -0.015 -0.048 -0.144) 0.153 24.225 ( -0.327 -0.021 0.332) 0.466 24.228 ( -0.233 -0.118 0.029) 0.263 24.694 ( 0.727 -0.197 1.572) 1.743 24.723 ( 0.387 -1.414 -1.380) 2.013 24.757 ( 0.151 -1.097 0.939) 1.452 24.771 ( -0.137 -1.687 -0.507) 1.767 25.104 ( -0.241 3.090 0.367) 3.121 25.118 ( 0.317 2.650 -1.226) 2.937 25.439 ( 0.829 2.637 3.744) 4.654 25.506 ( 4.276 2.288 -2.697) 5.549 25.574 ( -0.813 -4.080 2.094) 4.658 25.638 ( 2.662 -4.095 -3.909) 6.256 25.948 ( -1.871 2.041 2.960) 4.053 25.997 ( -0.905 -0.207 -2.361) 2.537 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 9.612 2.333 4.433) 10.839 1.267 ( 12.307 1.965 1.168) 12.517 1.301 ( 2.790 8.494 -0.669) 8.965 1.375 ( 8.744 3.342 -3.423) 9.967 1.408 ( 1.881 4.796 1.556) 5.381 1.455 ( 1.406 4.670 -1.837) 5.211 1.537 ( 1.883 4.021 2.273) 4.988 1.608 ( -0.078 5.328 -4.515) 6.984 1.677 ( 2.674 0.588 0.789) 2.850 1.708 ( 0.362 0.874 -1.031) 1.399 1.757 ( -3.717 -0.478 0.020) 3.748 1.771 ( -0.648 -5.349 -2.806) 6.075 1.862 ( 1.027 -0.737 1.252) 1.779 1.878 ( 2.959 -1.181 -0.784) 3.281 1.893 ( 1.404 -0.095 0.987) 1.719 1.947 ( 2.386 0.424 -3.216) 4.027 2.013 ( 0.925 -2.998 1.486) 3.471 2.047 ( -0.337 -0.105 -1.856) 1.889 2.113 ( 2.402 0.268 -0.244) 2.429 2.124 ( -0.235 1.258 -1.291) 1.818 2.218 ( 4.672 -0.851 3.030) 5.633 2.274 ( 2.286 -0.421 -0.655) 2.415 2.281 ( 2.282 0.718 0.188) 2.399 2.307 ( -0.753 6.092 -0.720) 6.180 2.432 ( 0.336 -1.384 2.796) 3.137 2.459 ( 2.653 1.523 0.995) 3.217 2.525 ( 1.125 0.435 1.535) 1.952 2.542 ( -1.832 3.766 1.282) 4.380 2.664 ( -0.715 1.390 -0.042) 1.564 2.678 ( -1.660 4.829 -1.591) 5.349 2.722 ( -0.796 -1.087 3.297) 3.562 2.756 ( -2.439 -0.715 0.344) 2.565 2.790 ( 0.496 0.818 0.508) 1.083 2.822 ( 2.495 1.179 -1.848) 3.321 2.920 ( 0.591 -0.246 0.236) 0.683 2.931 ( 0.617 -3.227 -0.907) 3.408 2.973 ( -2.131 3.628 1.488) 4.463 3.011 ( -3.916 4.213 -1.886) 6.053 3.140 ( -2.857 0.993 2.599) 3.988 3.185 ( -2.375 0.246 -1.831) 3.009 3.334 ( -0.918 1.544 0.346) 1.830 3.355 ( -0.287 0.145 -0.912) 0.967 3.456 ( -1.864 -3.770 3.742) 5.629 3.507 ( -1.632 -3.016 -0.196) 3.435 3.568 ( 0.771 0.432 1.265) 1.543 3.604 ( 0.697 -0.547 -0.565) 1.051 3.625 ( -0.744 -1.247 -1.655) 2.202 3.644 ( -2.025 -2.875 -3.977) 5.309 9.084 ( 2.082 -0.138 0.758) 2.220 9.098 ( 2.017 -0.593 -0.744) 2.230 9.164 ( 0.601 -2.060 1.070) 2.397 9.183 ( 0.453 -2.644 -0.922) 2.837 9.389 ( 0.791 3.681 0.770) 3.843 9.402 ( 0.376 3.641 -0.583) 3.707 9.443 ( -1.242 1.372 0.457) 1.907 9.453 ( -1.754 1.199 -0.525) 2.188 11.214 ( 2.030 1.201 -0.073) 2.360 11.218 ( 1.999 0.881 -0.431) 2.227 11.339 ( -2.942 -0.540 1.877) 3.531 11.368 ( -3.813 -1.644 -1.240) 4.334 11.468 ( -2.814 2.350 0.551) 3.708 11.476 ( -3.333 2.246 -0.253) 4.027 11.552 ( -3.048 -0.224 0.222) 3.064 11.556 ( -2.975 -0.518 -0.134) 3.022 11.962 ( 2.373 -0.231 1.205) 2.671 11.980 ( 1.470 -0.781 0.175) 1.673 11.996 ( 3.291 -0.520 -0.414) 3.358 12.015 ( 2.646 -1.313 -1.678) 3.397 24.203 ( 0.064 0.094 0.062) 0.130 24.205 ( 0.050 0.032 -0.137) 0.149 24.218 ( -0.320 -0.111 0.278) 0.438 24.221 ( -0.361 -0.220 -0.098) 0.434 24.713 ( 1.028 -0.126 1.481) 1.808 24.732 ( 0.409 -0.706 -0.333) 0.881 24.757 ( -0.108 -1.226 0.690) 1.411 24.767 ( -0.309 -1.304 -0.228) 1.360 25.126 ( 2.478 3.583 0.517) 4.387 25.152 ( 2.844 2.925 -2.346) 4.706 25.395 ( -4.111 1.763 3.039) 5.408 25.460 ( -5.522 -0.490 -3.949) 6.806 25.671 ( 6.319 0.103 3.041) 7.014 25.731 ( 4.780 -1.541 -3.177) 5.943 25.914 ( -0.953 -0.248 3.623) 3.755 25.972 ( -1.664 -2.312 -2.478) 3.776 ======================= Grid point 150 (56/60) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -2.123 5.339 0.119) 5.747 1.326 ( 2.123 5.339 0.119) 5.747 1.409 ( -0.495 7.854 -0.233) 7.873 1.409 ( 0.495 7.854 -0.233) 7.873 1.494 ( -1.558 4.176 4.069) 6.036 1.494 ( 1.558 4.176 4.069) 6.036 1.575 ( -4.620 2.190 -3.168) 6.015 1.575 ( 4.620 2.190 -3.168) 6.015 1.691 ( -0.986 0.314 -0.944) 1.401 1.691 ( 0.986 0.314 -0.944) 1.401 1.722 ( -1.864 -3.125 -2.129) 4.215 1.722 ( 1.864 -3.125 -2.129) 4.215 1.902 ( -0.792 1.635 0.035) 1.817 1.902 ( 0.792 1.635 0.035) 1.817 1.969 ( -3.637 -5.022 0.311) 6.208 1.969 ( 3.637 -5.022 0.311) 6.208 2.005 ( -2.635 -1.081 -2.161) 3.575 2.005 ( 2.635 -1.081 -2.161) 3.575 2.127 ( -0.931 2.053 0.305) 2.274 2.127 ( 0.931 2.053 0.305) 2.274 2.282 ( -1.627 4.952 1.570) 5.444 2.282 ( 1.627 4.952 1.570) 5.444 2.321 ( -0.334 -1.473 -1.330) 2.012 2.321 ( 0.334 -1.473 -1.330) 2.012 2.468 ( -2.752 0.155 3.545) 4.490 2.468 ( 2.752 0.155 3.545) 4.490 2.531 ( -1.223 -2.172 -1.949) 3.164 2.531 ( 1.223 -2.172 -1.949) 3.164 2.646 ( -0.780 5.458 0.969) 5.598 2.646 ( 0.780 5.458 0.969) 5.598 2.727 ( -0.832 1.303 1.458) 2.125 2.727 ( 0.832 1.303 1.458) 2.125 2.842 ( -1.943 -1.552 0.774) 2.604 2.842 ( 1.943 -1.552 0.774) 2.604 2.928 ( -1.315 1.690 0.478) 2.194 2.928 ( 1.315 1.690 0.478) 2.194 2.956 ( -1.930 1.658 0.794) 2.665 2.956 ( 1.930 1.658 0.794) 2.665 3.123 ( -2.379 2.341 -2.289) 4.047 3.123 ( 2.379 2.341 -2.289) 4.047 3.343 ( -1.495 -1.448 2.155) 2.996 3.343 ( 1.495 -1.448 2.155) 2.996 3.452 ( -2.510 -3.101 -1.176) 4.159 3.452 ( 2.510 -3.101 -1.176) 4.159 3.588 ( -1.290 0.226 0.553) 1.422 3.588 ( 1.290 0.226 0.553) 1.422 3.624 ( -0.639 -1.642 -2.388) 2.968 3.624 ( 0.639 -1.642 -2.388) 2.968 9.120 ( -0.713 -0.035 0.223) 0.748 9.120 ( 0.713 -0.035 0.223) 0.748 9.173 ( -0.849 -2.822 -0.080) 2.948 9.173 ( 0.849 -2.822 -0.080) 2.948 9.412 ( -1.390 2.770 0.504) 3.140 9.412 ( 1.390 2.770 0.504) 3.140 9.422 ( -1.321 2.440 -0.444) 2.810 9.422 ( 1.321 2.440 -0.444) 2.810 11.241 ( -0.148 1.574 -0.041) 1.582 11.241 ( 0.148 1.574 -0.041) 1.582 11.317 ( -0.877 -1.519 0.040) 1.755 11.317 ( 0.877 -1.519 0.040) 1.755 11.437 ( -0.140 2.111 0.199) 2.125 11.437 ( 0.140 2.111 0.199) 2.125 11.520 ( -0.173 -0.852 0.046) 0.871 11.520 ( 0.173 -0.852 0.046) 0.871 11.991 ( -0.389 -0.095 0.475) 0.621 11.991 ( 0.389 -0.095 0.475) 0.621 12.037 ( -0.512 -0.939 -0.883) 1.387 12.037 ( 0.512 -0.939 -0.883) 1.387 24.205 ( -0.088 0.177 0.026) 0.199 24.205 ( 0.088 0.177 0.026) 0.199 24.215 ( -0.145 -0.300 -0.016) 0.334 24.215 ( 0.145 -0.300 -0.016) 0.334 24.732 ( -0.588 0.056 0.991) 1.154 24.732 ( 0.588 0.056 0.991) 1.154 24.759 ( -0.368 -1.476 0.080) 1.524 24.759 ( 0.368 -1.476 0.080) 1.524 25.185 ( -1.602 4.981 -0.474) 5.253 25.185 ( 1.602 4.981 -0.474) 5.253 25.355 ( -2.586 -1.602 -1.519) 3.400 25.355 ( 2.586 -1.602 -1.519) 3.400 25.766 ( -2.090 2.386 1.631) 3.567 25.766 ( 2.090 2.386 1.631) 3.567 25.928 ( -2.187 -3.997 -0.706) 4.610 25.928 ( 2.187 -3.997 -0.706) 4.610 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 0.000 -4.425 -1.038) 4.545 0.752 ( 0.000 4.425 -1.038) 4.545 1.318 ( 0.000 -2.541 7.157) 7.594 1.318 ( 0.000 2.541 7.157) 7.594 1.413 ( 0.000 -0.362 -4.054) 4.070 1.413 ( 0.000 0.362 -4.054) 4.070 1.502 ( 0.000 -5.559 -1.389) 5.730 1.502 ( 0.000 5.559 -1.389) 5.730 1.622 ( 0.000 -4.965 -2.641) 5.624 1.622 ( 0.000 4.965 -2.641) 5.624 1.642 ( 0.000 -2.054 -1.693) 2.662 1.642 ( 0.000 2.054 -1.693) 2.662 1.871 ( 0.000 -0.821 2.014) 2.175 1.871 ( 0.000 0.821 2.014) 2.175 1.904 ( 0.000 -3.420 3.746) 5.072 1.904 ( 0.000 3.420 3.746) 5.072 1.955 ( 0.000 -0.026 -1.714) 1.714 1.955 ( 0.000 0.026 -1.714) 1.714 1.997 ( 0.000 -2.806 -6.008) 6.631 1.997 ( 0.000 2.806 -6.008) 6.631 2.217 ( 0.000 -0.589 2.376) 2.448 2.217 ( 0.000 0.589 2.376) 2.448 2.350 ( 0.000 -0.922 1.160) 1.482 2.350 ( 0.000 0.922 1.160) 1.482 2.487 ( 0.000 -0.861 0.562) 1.028 2.487 ( 0.000 0.861 0.562) 1.028 2.555 ( 0.000 -3.130 0.064) 3.131 2.555 ( 0.000 3.130 0.064) 3.131 2.684 ( 0.000 -0.364 -1.643) 1.682 2.684 ( 0.000 0.364 -1.643) 1.682 2.791 ( 0.000 -0.422 3.648) 3.672 2.791 ( 0.000 0.422 3.648) 3.672 2.865 ( 0.000 -0.246 1.392) 1.414 2.865 ( 0.000 0.246 1.392) 1.414 2.977 ( 0.000 -0.019 -4.164) 4.164 2.977 ( 0.000 0.019 -4.164) 4.164 3.091 ( 0.000 -5.505 5.523) 7.797 3.091 ( 0.000 5.505 5.523) 7.797 3.188 ( 0.000 -5.978 -4.585) 7.534 3.188 ( 0.000 5.978 -4.585) 7.534 3.370 ( 0.000 -0.364 -0.632) 0.729 3.370 ( 0.000 0.364 -0.632) 0.729 3.469 ( 0.000 -1.182 -0.017) 1.182 3.469 ( 0.000 1.182 -0.017) 1.182 3.552 ( 0.000 -0.928 0.697) 1.160 3.552 ( 0.000 0.928 0.697) 1.160 3.656 ( 0.000 -0.627 -0.121) 0.639 3.656 ( 0.000 0.627 -0.121) 0.639 9.037 ( 0.000 -0.410 0.360) 0.545 9.037 ( 0.000 0.410 0.360) 0.545 9.114 ( 0.000 -0.509 -0.633) 0.813 9.114 ( 0.000 0.509 -0.633) 0.813 9.427 ( 0.000 -1.189 0.886) 1.483 9.427 ( 0.000 1.189 0.886) 1.483 9.494 ( 0.000 -1.406 -0.546) 1.509 9.494 ( 0.000 1.406 -0.546) 1.509 11.167 ( 0.000 -0.071 -0.305) 0.313 11.167 ( 0.000 0.071 -0.305) 0.313 11.451 ( 0.000 -1.069 0.063) 1.071 11.451 ( 0.000 1.069 0.063) 1.071 11.664 ( 0.000 -0.973 0.183) 0.990 11.664 ( 0.000 0.973 0.183) 0.990 11.719 ( 0.000 -0.699 0.505) 0.863 11.719 ( 0.000 0.699 0.505) 0.863 11.824 ( 0.000 -1.932 -0.023) 1.933 11.824 ( 0.000 1.932 -0.023) 1.933 11.847 ( 0.000 -2.025 -0.424) 2.069 11.847 ( 0.000 2.025 -0.424) 2.069 24.204 ( 0.000 -0.045 -0.007) 0.046 24.204 ( 0.000 0.045 -0.007) 0.046 24.229 ( 0.000 -0.049 0.166) 0.173 24.229 ( 0.000 0.049 0.166) 0.173 24.692 ( 0.000 -0.840 -0.202) 0.864 24.692 ( 0.000 0.840 -0.202) 0.864 24.749 ( 0.000 -0.446 0.220) 0.497 24.749 ( 0.000 0.446 0.220) 0.497 25.151 ( 0.000 -0.182 -0.083) 0.200 25.151 ( 0.000 0.182 -0.083) 0.200 25.426 ( 0.000 -0.825 0.989) 1.288 25.426 ( 0.000 0.825 0.989) 1.288 25.578 ( 0.000 -0.742 -1.181) 1.395 25.578 ( 0.000 0.742 -1.181) 1.395 26.006 ( 0.000 -0.960 0.055) 0.962 26.006 ( 0.000 0.960 0.055) 0.962 ======================= Grid point 156 (58/60) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 13.793 -3.472 -0.541) 14.233 0.917 ( 13.793 3.472 -0.541) 14.233 1.364 ( 2.577 -3.350 2.924) 5.139 1.364 ( 2.577 3.350 2.924) 5.139 1.451 ( 4.607 -3.535 -0.394) 5.820 1.451 ( 4.607 3.535 -0.394) 5.820 1.555 ( 3.323 -6.490 -0.546) 7.312 1.555 ( 3.323 6.490 -0.546) 7.312 1.640 ( 1.589 -2.976 -3.017) 4.526 1.640 ( 1.589 2.976 -3.017) 4.526 1.669 ( 2.254 -1.360 -2.170) 3.412 1.669 ( 2.254 1.360 -2.170) 3.412 1.865 ( 0.307 -0.967 2.881) 3.054 1.865 ( 0.307 0.967 2.881) 3.054 1.934 ( -0.341 -0.506 -3.572) 3.623 1.934 ( -0.341 0.506 -3.572) 3.623 1.968 ( 4.227 -3.314 3.697) 6.520 1.968 ( 4.227 3.314 3.697) 6.520 2.043 ( 3.198 -2.870 -4.281) 6.066 2.043 ( 3.198 2.870 -4.281) 6.066 2.205 ( -0.656 -1.048 1.519) 1.959 2.205 ( -0.656 1.048 1.519) 1.959 2.319 ( -1.805 -1.432 0.617) 2.386 2.319 ( -1.805 1.432 0.617) 2.386 2.463 ( -1.253 -0.714 -0.062) 1.443 2.463 ( -1.253 0.714 -0.062) 1.443 2.595 ( 1.370 -4.656 3.593) 6.039 2.595 ( 1.370 4.656 3.593) 6.039 2.674 ( -0.497 -2.865 -2.370) 3.751 2.674 ( -0.497 2.865 -2.370) 3.751 2.780 ( -0.898 -1.069 1.581) 2.110 2.780 ( -0.898 1.069 1.581) 2.110 2.840 ( -1.969 -1.393 2.720) 3.635 2.840 ( -1.969 1.393 2.720) 3.635 2.916 ( -3.371 -2.335 -4.513) 6.098 2.916 ( -3.371 2.335 -4.513) 6.098 3.100 ( -0.178 -4.495 3.959) 5.993 3.100 ( -0.178 4.495 3.959) 5.993 3.180 ( -0.919 -4.102 -2.201) 4.745 3.180 ( -0.919 4.102 -2.201) 4.745 3.382 ( 0.450 -0.897 -1.102) 1.491 3.382 ( 0.450 0.897 -1.102) 1.491 3.455 ( -1.245 -2.151 0.029) 2.485 3.455 ( -1.245 2.151 0.029) 2.485 3.562 ( 0.793 -0.954 0.548) 1.356 3.562 ( 0.793 0.954 0.548) 1.356 3.645 ( -0.929 -0.495 -0.585) 1.205 3.645 ( -0.929 0.495 -0.585) 1.205 9.051 ( 1.297 -0.400 0.284) 1.387 9.051 ( 1.297 0.400 0.284) 1.387 9.129 ( 1.193 -0.518 -0.448) 1.376 9.129 ( 1.193 0.518 -0.448) 1.376 9.433 ( 0.549 -1.275 0.770) 1.587 9.433 ( 0.549 1.275 0.770) 1.587 9.479 ( -1.260 -1.357 -0.523) 1.924 9.479 ( -1.260 1.357 -0.523) 1.924 11.186 ( 1.701 -0.030 -0.277) 1.724 11.186 ( 1.701 0.030 -0.277) 1.724 11.415 ( -3.252 -1.028 0.163) 3.414 11.415 ( -3.252 1.028 0.163) 3.414 11.593 ( -4.453 -0.910 0.136) 4.547 11.593 ( -4.453 0.910 0.136) 4.547 11.635 ( -5.612 -0.492 0.222) 5.638 11.635 ( -5.612 0.492 0.222) 5.638 11.896 ( 4.621 -1.162 -0.182) 4.768 11.896 ( 4.621 1.162 -0.182) 4.768 11.913 ( 4.186 -0.743 -0.077) 4.252 11.913 ( 4.186 0.743 -0.077) 4.252 24.204 ( -0.005 -0.047 -0.020) 0.051 24.204 ( -0.005 0.047 -0.020) 0.051 24.225 ( -0.305 -0.087 0.134) 0.344 24.225 ( -0.305 0.087 0.134) 0.344 24.699 ( 0.656 -0.762 -0.019) 1.005 24.699 ( 0.656 0.762 -0.019) 1.005 24.751 ( 0.153 -0.385 0.244) 0.480 24.751 ( 0.153 0.385 0.244) 0.480 25.141 ( -0.055 -0.435 -0.465) 0.639 25.141 ( -0.055 0.435 -0.465) 0.639 25.493 ( 2.601 -2.840 3.713) 5.349 25.493 ( 2.601 2.840 3.713) 5.349 25.567 ( 1.425 -2.818 -4.017) 5.110 25.567 ( 1.425 2.818 -4.017) 5.110 25.983 ( -1.983 -1.283 0.399) 2.395 25.983 ( -1.983 1.283 0.399) 2.395 ======================= Grid point 158 (59/60) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 14.207 -2.382 0.635) 14.419 1.228 ( 14.207 2.382 0.635) 14.419 1.419 ( 2.945 -1.164 -2.070) 3.783 1.419 ( 2.945 1.164 -2.070) 3.783 1.540 ( 2.158 -5.635 2.971) 6.726 1.540 ( 2.158 5.635 2.971) 6.726 1.589 ( -0.096 -4.955 0.373) 4.970 1.589 ( -0.096 4.955 0.373) 4.970 1.667 ( 1.232 -2.358 -1.121) 2.887 1.667 ( 1.232 2.358 -1.121) 2.887 1.723 ( 2.133 -4.563 -4.305) 6.626 1.723 ( 2.133 4.563 -4.305) 6.626 1.869 ( -0.317 -1.576 0.872) 1.828 1.869 ( -0.317 1.576 0.872) 1.828 1.937 ( -0.297 -2.019 -1.476) 2.518 1.937 ( -0.297 2.019 -1.476) 2.518 2.030 ( 0.812 -3.646 0.662) 3.793 2.030 ( 0.812 3.646 0.662) 3.793 2.104 ( 2.251 -1.905 -2.364) 3.780 2.104 ( 2.251 1.905 -2.364) 3.780 2.245 ( 4.569 -3.616 2.608) 6.383 2.245 ( 4.569 3.616 2.608) 6.383 2.310 ( 1.194 -4.313 -0.984) 4.583 2.310 ( 1.194 4.313 -0.984) 4.583 2.444 ( 0.207 -1.023 0.719) 1.268 2.444 ( 0.207 1.023 0.719) 1.268 2.574 ( -3.339 -1.988 3.078) 4.958 2.574 ( -3.339 1.988 3.078) 4.958 2.675 ( 0.867 -2.498 -0.412) 2.676 2.675 ( 0.867 2.498 -0.412) 2.676 2.756 ( -1.215 -1.029 1.518) 2.201 2.756 ( -1.215 1.030 1.518) 2.201 2.827 ( 0.958 -4.083 1.598) 4.488 2.827 ( 0.958 4.083 1.598) 4.488 2.881 ( -0.067 -2.750 -3.609) 4.538 2.881 ( -0.067 2.750 -3.609) 4.538 3.083 ( -1.061 -3.821 2.160) 4.516 3.083 ( -1.061 3.821 2.160) 4.516 3.141 ( -2.847 -3.502 0.046) 4.514 3.141 ( -2.847 3.502 0.046) 4.514 3.373 ( -0.982 -1.608 -0.432) 1.933 3.373 ( -0.982 1.608 -0.432) 1.933 3.417 ( -2.411 -3.571 -0.713) 4.367 3.417 ( -2.411 3.571 -0.713) 4.367 3.580 ( 0.929 -0.885 -0.118) 1.288 3.580 ( 0.929 0.885 -0.118) 1.288 3.623 ( -1.089 -0.526 -0.917) 1.518 3.623 ( -1.089 0.526 -0.917) 1.518 9.088 ( 2.151 -0.451 0.148) 2.203 9.088 ( 2.151 0.451 0.148) 2.203 9.148 ( 0.246 -0.575 -0.129) 0.638 9.148 ( 0.246 0.575 -0.129) 0.638 9.443 ( 0.190 -1.340 0.525) 1.451 9.443 ( 0.190 1.340 0.525) 1.451 9.454 ( -0.835 -1.195 -0.396) 1.511 9.454 ( -0.835 1.195 -0.396) 1.511 11.231 ( 2.417 -0.088 -0.206) 2.428 11.231 ( 2.417 0.088 -0.206) 2.428 11.338 ( -3.520 -0.833 0.169) 3.621 11.338 ( -3.520 0.833 0.169) 3.621 11.517 ( -2.807 -0.869 0.078) 2.940 11.517 ( -2.807 0.869 0.078) 2.940 11.529 ( -4.067 -0.559 0.143) 4.108 11.529 ( -4.067 0.559 0.143) 4.108 11.976 ( 2.850 -0.554 -0.169) 2.909 11.976 ( 2.850 0.554 -0.169) 2.909 11.985 ( 2.445 -0.585 -0.087) 2.516 11.985 ( 2.445 0.585 -0.087) 2.516 24.205 ( 0.123 -0.059 -0.027) 0.139 24.205 ( 0.123 0.059 -0.027) 0.139 24.217 ( -0.425 -0.114 0.065) 0.445 24.217 ( -0.425 0.114 0.065) 0.445 24.717 ( 1.035 -0.547 0.339) 1.219 24.717 ( 1.035 0.547 0.339) 1.219 24.751 ( -0.265 -0.341 0.377) 0.573 24.751 ( -0.265 0.341 0.377) 0.573 25.175 ( 3.534 -0.854 -0.923) 3.751 25.175 ( 3.534 0.854 -0.923) 3.751 25.423 ( -6.233 -1.847 0.130) 6.502 25.423 ( -6.233 1.847 0.130) 6.502 25.701 ( 7.815 -1.831 -0.755) 8.062 25.701 ( 7.815 1.831 -0.755) 8.062 25.930 ( -3.164 -1.657 0.788) 3.658 25.930 ( -3.164 1.657 0.788) 3.658 ======================= Grid point 160 (60/60) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -3.941 -4.424 0.530) 5.948 1.436 ( 2.378 -4.135 0.530) 4.800 1.436 ( -2.378 4.135 0.530) 4.800 1.436 ( 3.941 4.424 0.530) 5.948 1.555 ( -1.714 -2.090 -0.477) 2.745 1.555 ( 0.752 -1.943 -0.477) 2.137 1.555 ( -0.752 1.943 -0.477) 2.137 1.555 ( 1.714 2.090 -0.477) 2.745 1.720 ( -2.426 -3.406 -0.916) 4.281 1.720 ( 1.731 -3.298 -0.916) 3.836 1.720 ( -1.731 3.298 -0.916) 3.836 1.720 ( 2.426 3.406 -0.916) 4.281 1.884 ( -2.753 -1.887 -1.111) 3.518 1.884 ( 2.195 -1.695 -1.111) 2.987 1.884 ( -2.195 1.695 -1.111) 2.987 1.884 ( 2.753 1.887 -1.111) 3.518 2.081 ( -1.517 -5.706 -1.280) 6.041 2.081 ( -0.592 -5.663 -1.280) 5.836 2.081 ( 0.592 5.663 -1.280) 5.836 2.081 ( 1.517 5.706 -1.280) 6.041 2.328 ( -2.088 -3.863 0.981) 4.499 2.328 ( 1.825 -3.829 0.981) 4.354 2.328 ( -1.825 3.829 0.981) 4.354 2.328 ( 2.088 3.863 0.981) 4.499 2.486 ( -3.449 -3.459 0.918) 4.971 2.486 ( 1.672 -3.113 0.918) 3.651 2.486 ( -1.672 3.113 0.918) 3.651 2.486 ( 3.449 3.459 0.918) 4.971 2.716 ( -2.276 -1.556 2.620) 3.804 2.716 ( -0.175 -1.066 2.620) 2.834 2.716 ( 0.175 1.066 2.620) 2.834 2.716 ( 2.276 1.556 2.620) 3.804 2.869 ( -1.605 -4.104 -1.419) 4.630 2.869 ( 1.113 -4.063 -1.419) 4.445 2.869 ( -1.113 4.063 -1.419) 4.445 2.869 ( 1.605 4.104 -1.419) 4.630 3.083 ( -1.265 -6.248 0.872) 6.434 3.083 ( 0.961 -6.234 0.872) 6.368 3.083 ( -0.961 6.234 0.872) 6.368 3.083 ( 1.265 6.248 0.872) 6.434 3.371 ( -1.093 -3.952 -0.720) 4.163 3.371 ( 0.903 -3.940 -0.720) 4.106 3.371 ( -0.903 3.940 -0.720) 4.106 3.371 ( 1.093 3.952 -0.720) 4.163 3.601 ( -1.058 -0.874 -0.646) 1.517 3.601 ( 0.756 -0.792 -0.646) 1.271 3.601 ( -0.756 0.792 -0.646) 1.271 3.601 ( 1.058 0.874 -0.646) 1.517 9.131 ( -1.351 -1.163 0.038) 1.783 9.131 ( -0.468 -0.976 0.038) 1.083 9.131 ( 0.468 0.976 0.038) 1.083 9.131 ( 1.351 1.163 0.038) 1.783 9.445 ( -0.171 -0.264 0.062) 0.321 9.445 ( 0.037 -0.251 0.062) 0.261 9.445 ( -0.037 0.251 0.062) 0.261 9.445 ( 0.171 0.264 0.062) 0.321 11.280 ( -1.394 -1.839 -0.056) 2.308 11.280 ( -0.821 -1.750 -0.056) 1.934 11.280 ( 0.821 1.750 -0.056) 1.934 11.280 ( 1.394 1.839 -0.056) 2.308 11.484 ( -0.017 -2.366 0.133) 2.369 11.484 ( 0.016 -2.366 0.133) 2.369 11.484 ( -0.016 2.366 0.133) 2.369 11.484 ( 0.017 2.366 0.133) 2.369 12.009 ( -0.079 -1.521 -0.136) 1.529 12.009 ( 0.049 -1.520 -0.136) 1.527 12.009 ( -0.049 1.520 -0.136) 1.527 12.009 ( 0.079 1.521 -0.136) 1.529 24.209 ( -0.235 -0.229 0.003) 0.328 24.209 ( -0.087 -0.201 0.003) 0.219 24.209 ( 0.087 0.201 0.003) 0.219 24.209 ( 0.235 0.229 0.003) 0.328 24.738 ( -0.792 -0.563 0.495) 1.091 24.738 ( -0.154 -0.408 0.495) 0.660 24.738 ( 0.154 0.408 0.495) 0.660 24.738 ( 0.792 0.563 0.495) 1.091 25.283 ( -4.694 -4.060 -0.941) 6.277 25.283 ( -2.532 -3.547 -0.941) 4.458 25.283 ( 2.532 3.547 -0.941) 4.458 25.283 ( 4.694 4.060 -0.941) 6.277 25.842 ( -4.082 -3.943 0.445) 5.693 25.842 ( -1.419 -3.447 0.445) 3.754 25.842 ( 1.419 3.447 0.445) 3.754 25.842 ( 4.082 3.943 0.445) 5.693 =================== 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 3/20160 10.0 11.124 4.865 5.473 0.000 0.000 -0.000 3/20160 20.0 3.070 1.813 1.580 0.000 0.000 -0.000 3/20160 30.0 1.655 1.124 0.872 0.000 0.000 -0.000 3/20160 40.0 1.138 0.830 0.615 0.000 0.000 -0.000 3/20160 50.0 0.877 0.667 0.484 0.000 0.000 -0.000 3/20160 60.0 0.719 0.563 0.403 0.000 0.000 -0.000 3/20160 70.0 0.612 0.489 0.346 0.000 0.000 -0.000 3/20160 80.0 0.536 0.435 0.305 0.000 0.000 -0.000 3/20160 90.0 0.478 0.392 0.273 0.000 0.000 -0.000 3/20160 100.0 0.433 0.358 0.247 0.000 0.000 -0.000 3/20160 110.0 0.397 0.330 0.226 0.000 0.000 -0.000 3/20160 120.0 0.368 0.307 0.209 0.000 0.000 -0.000 3/20160 130.0 0.343 0.287 0.194 0.000 0.000 -0.000 3/20160 140.0 0.322 0.270 0.181 0.000 0.000 -0.000 3/20160 150.0 0.304 0.255 0.170 0.000 0.000 -0.000 3/20160 160.0 0.288 0.243 0.161 0.000 0.000 -0.000 3/20160 170.0 0.274 0.231 0.152 0.000 0.000 -0.000 3/20160 180.0 0.262 0.221 0.145 0.000 0.000 -0.000 3/20160 190.0 0.251 0.212 0.138 0.000 0.000 -0.000 3/20160 200.0 0.241 0.204 0.132 0.000 0.000 -0.000 3/20160 210.0 0.232 0.197 0.127 0.000 0.000 -0.000 3/20160 220.0 0.224 0.190 0.122 0.000 0.000 -0.000 3/20160 230.0 0.216 0.184 0.118 0.000 0.000 -0.000 3/20160 240.0 0.209 0.179 0.114 0.000 0.000 -0.000 3/20160 250.0 0.203 0.174 0.110 0.000 0.000 -0.000 3/20160 260.0 0.197 0.169 0.107 0.000 0.000 -0.000 3/20160 270.0 0.192 0.165 0.104 0.000 0.000 -0.000 3/20160 280.0 0.187 0.161 0.101 0.000 0.000 -0.000 3/20160 290.0 0.182 0.158 0.099 0.000 0.000 -0.000 3/20160 300.0 0.177 0.154 0.096 0.000 0.000 -0.000 3/20160 310.0 0.173 0.151 0.094 0.000 0.000 -0.000 3/20160 320.0 0.169 0.148 0.092 0.000 0.000 -0.000 3/20160 330.0 0.165 0.145 0.089 0.000 0.000 -0.000 3/20160 340.0 0.162 0.142 0.088 0.000 0.000 -0.000 3/20160 350.0 0.158 0.140 0.086 0.000 0.000 -0.000 3/20160 360.0 0.155 0.137 0.084 0.000 0.000 -0.000 3/20160 370.0 0.152 0.135 0.082 0.000 0.000 -0.000 3/20160 380.0 0.149 0.132 0.081 0.000 0.000 -0.000 3/20160 390.0 0.146 0.130 0.079 0.000 0.000 -0.000 3/20160 400.0 0.143 0.128 0.078 0.000 0.000 -0.000 3/20160 410.0 0.141 0.126 0.076 0.000 0.000 -0.000 3/20160 420.0 0.138 0.124 0.075 0.000 0.000 -0.000 3/20160 430.0 0.135 0.122 0.074 0.000 0.000 -0.000 3/20160 440.0 0.133 0.120 0.072 0.000 0.000 -0.000 3/20160 450.0 0.131 0.118 0.071 0.000 0.000 -0.000 3/20160 460.0 0.129 0.117 0.070 0.000 0.000 -0.000 3/20160 470.0 0.126 0.115 0.069 0.000 0.000 -0.000 3/20160 480.0 0.124 0.113 0.068 0.000 0.000 -0.000 3/20160 490.0 0.122 0.112 0.067 0.000 0.000 -0.000 3/20160 500.0 0.120 0.110 0.066 0.000 0.000 -0.000 3/20160 510.0 0.119 0.108 0.065 0.000 0.000 -0.000 3/20160 520.0 0.117 0.107 0.064 0.000 0.000 -0.000 3/20160 530.0 0.115 0.106 0.063 0.000 0.000 -0.000 3/20160 540.0 0.113 0.104 0.062 0.000 0.000 -0.000 3/20160 550.0 0.112 0.103 0.061 0.000 0.000 -0.000 3/20160 560.0 0.110 0.101 0.060 0.000 0.000 -0.000 3/20160 570.0 0.108 0.100 0.059 0.000 0.000 -0.000 3/20160 580.0 0.107 0.099 0.058 0.000 0.000 -0.000 3/20160 590.0 0.105 0.098 0.058 0.000 0.000 -0.000 3/20160 600.0 0.104 0.096 0.057 0.000 0.000 -0.000 3/20160 610.0 0.102 0.095 0.056 0.000 0.000 -0.000 3/20160 620.0 0.101 0.094 0.055 0.000 0.000 -0.000 3/20160 630.0 0.100 0.093 0.055 0.000 0.000 -0.000 3/20160 640.0 0.098 0.092 0.054 0.000 0.000 -0.000 3/20160 650.0 0.097 0.091 0.053 0.000 0.000 -0.000 3/20160 660.0 0.096 0.090 0.053 0.000 0.000 -0.000 3/20160 670.0 0.095 0.089 0.052 0.000 0.000 -0.000 3/20160 680.0 0.094 0.088 0.051 0.000 0.000 -0.000 3/20160 690.0 0.092 0.087 0.051 0.000 0.000 -0.000 3/20160 700.0 0.091 0.086 0.050 0.000 0.000 -0.000 3/20160 710.0 0.090 0.085 0.050 0.000 0.000 -0.000 3/20160 720.0 0.089 0.084 0.049 0.000 0.000 -0.000 3/20160 730.0 0.088 0.083 0.048 0.000 0.000 -0.000 3/20160 740.0 0.087 0.082 0.048 0.000 0.000 -0.000 3/20160 750.0 0.086 0.081 0.047 0.000 0.000 -0.000 3/20160 760.0 0.085 0.080 0.047 0.000 0.000 -0.000 3/20160 770.0 0.084 0.080 0.046 0.000 0.000 -0.000 3/20160 780.0 0.083 0.079 0.046 0.000 0.000 -0.000 3/20160 790.0 0.082 0.078 0.045 0.000 0.000 -0.000 3/20160 800.0 0.081 0.077 0.045 0.000 0.000 -0.000 3/20160 810.0 0.080 0.076 0.044 0.000 0.000 -0.000 3/20160 820.0 0.080 0.076 0.044 0.000 0.000 -0.000 3/20160 830.0 0.079 0.075 0.043 0.000 0.000 -0.000 3/20160 840.0 0.078 0.074 0.043 0.000 0.000 -0.000 3/20160 850.0 0.077 0.073 0.043 0.000 0.000 -0.000 3/20160 860.0 0.076 0.073 0.042 0.000 0.000 -0.000 3/20160 870.0 0.076 0.072 0.042 0.000 0.000 -0.000 3/20160 880.0 0.075 0.071 0.041 0.000 0.000 -0.000 3/20160 890.0 0.074 0.071 0.041 0.000 0.000 -0.000 3/20160 900.0 0.073 0.070 0.040 0.000 0.000 -0.000 3/20160 910.0 0.073 0.069 0.040 0.000 0.000 -0.000 3/20160 920.0 0.072 0.069 0.040 0.000 0.000 -0.000 3/20160 930.0 0.071 0.068 0.039 0.000 0.000 -0.000 3/20160 940.0 0.070 0.068 0.039 0.000 0.000 -0.000 3/20160 950.0 0.070 0.067 0.039 0.000 0.000 -0.000 3/20160 960.0 0.069 0.066 0.038 0.000 0.000 -0.000 3/20160 970.0 0.068 0.066 0.038 0.000 0.000 -0.000 3/20160 980.0 0.068 0.065 0.038 0.000 0.000 -0.000 3/20160 990.0 0.067 0.065 0.037 0.000 0.000 -0.000 3/20160 1000.0 0.067 0.064 0.037 0.000 0.000 -0.000 3/20160 Thermal conductivity related properties were written into "kappa-m685.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:24:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|